----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:25:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.728686755154468 -3.710081640000000 0.000000000000000 b 3.728686755154468 3.710081640000000 0.000000000000000 c -3.463870909454184 0.000000000000000 4.367055649721038 Atomic positions (fractional): *1 Na 0.62255390965831 0.37744609034169 0.75000000000000 22.990 2 Na 0.37744609034169 0.62255390965831 0.25000000000000 22.990 *3 Sb 0.11360063157766 0.88639936842234 0.75000000000000 121.760 4 Sb 0.88639936842234 0.11360063157766 0.25000000000000 121.760 *5 O 0.14139428135822 0.26130831308817 0.74401346811954 15.999 6 O 0.26130831308816 0.14139428135822 0.24401346811954 15.999 7 O 0.73869168691183 0.85860571864178 0.75598653188046 15.999 8 O 0.85860571864178 0.73869168691183 0.25598653188046 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.457373510308935 0.000000000000000 0.000000000000000 b 0.000000000000000 7.420163280000000 0.000000000000000 c -3.463870909454184 0.000000000000000 4.367055649721038 Atomic positions (fractional): *1 Na 0.00000000000000 0.37744609034169 0.75000000000000 22.990 > 1 2 Na 0.00000000000000 0.62255390965831 0.25000000000000 22.990 > 2 3 Na 0.50000000000000 0.87744609034169 0.75000000000000 22.990 > 1 4 Na 0.50000000000000 0.12255390965831 0.25000000000000 22.990 > 2 *5 Sb 0.00000000000000 0.88639936842234 0.75000000000000 121.760 > 3 6 Sb 0.00000000000000 0.11360063157766 0.25000000000000 121.760 > 4 7 Sb 0.50000000000000 0.38639936842234 0.75000000000000 121.760 > 3 8 Sb 0.50000000000000 0.61360063157766 0.25000000000000 121.760 > 4 *9 O 0.70135129722319 0.55995701586497 0.74401346811954 15.999 > 5 10 O 0.70135129722319 0.44004298413503 0.24401346811954 15.999 > 6 11 O 0.29864870277681 0.55995701586497 0.75598653188046 15.999 > 7 12 O 0.29864870277681 0.44004298413503 0.25598653188046 15.999 > 8 13 O 0.20135129722319 0.05995701586497 0.74401346811954 15.999 > 5 14 O 0.20135129722319 0.94004298413503 0.24401346811954 15.999 > 6 15 O 0.79864870277681 0.05995701586497 0.75598653188046 15.999 > 7 16 O 0.79864870277681 0.94004298413503 0.25598653188046 15.999 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.914747020617870 0.000000000000000 0.000000000000000 b 0.000000000000000 14.840326559999999 0.000000000000000 c -6.927741818908368 0.000000000000000 8.734111299442077 Atomic positions (fractional): *1 Na 0.00000000000000 0.18872304517085 0.37500000000000 22.990 > 1 2 Na 0.50000000000000 0.18872304517085 0.37500000000000 22.990 > 1 3 Na 0.00000000000000 0.68872304517085 0.37500000000000 22.990 > 1 4 Na 0.50000000000000 0.68872304517085 0.37500000000000 22.990 > 1 5 Na 0.00000000000000 0.18872304517085 0.87500000000000 22.990 > 1 6 Na 0.50000000000000 0.18872304517085 0.87500000000000 22.990 > 1 7 Na 0.00000000000000 0.68872304517085 0.87500000000000 22.990 > 1 8 Na 0.50000000000000 0.68872304517085 0.87500000000000 22.990 > 1 9 Na 0.00000000000000 0.31127695482915 0.12500000000000 22.990 > 2 10 Na 0.50000000000000 0.31127695482915 0.12500000000000 22.990 > 2 11 Na 0.00000000000000 0.81127695482915 0.12500000000000 22.990 > 2 12 Na 0.50000000000000 0.81127695482915 0.12500000000000 22.990 > 2 13 Na 0.00000000000000 0.31127695482915 0.62500000000000 22.990 > 2 14 Na 0.50000000000000 0.31127695482915 0.62500000000000 22.990 > 2 15 Na 0.00000000000000 0.81127695482915 0.62500000000000 22.990 > 2 16 Na 0.50000000000000 0.81127695482915 0.62500000000000 22.990 > 2 17 Na 0.25000000000000 0.43872304517085 0.37500000000000 22.990 > 1 18 Na 0.75000000000000 0.43872304517085 0.37500000000000 22.990 > 1 19 Na 0.25000000000000 0.93872304517085 0.37500000000000 22.990 > 1 20 Na 0.75000000000000 0.93872304517085 0.37500000000000 22.990 > 1 21 Na 0.25000000000000 0.43872304517085 0.87500000000000 22.990 > 1 22 Na 0.75000000000000 0.43872304517085 0.87500000000000 22.990 > 1 23 Na 0.25000000000000 0.93872304517085 0.87500000000000 22.990 > 1 24 Na 0.75000000000000 0.93872304517085 0.87500000000000 22.990 > 1 25 Na 0.25000000000000 0.06127695482915 0.12500000000000 22.990 > 2 26 Na 0.75000000000000 0.06127695482915 0.12500000000000 22.990 > 2 27 Na 0.25000000000000 0.56127695482915 0.12500000000000 22.990 > 2 28 Na 0.75000000000000 0.56127695482915 0.12500000000000 22.990 > 2 29 Na 0.25000000000000 0.06127695482915 0.62500000000000 22.990 > 2 30 Na 0.75000000000000 0.06127695482915 0.62500000000000 22.990 > 2 31 Na 0.25000000000000 0.56127695482915 0.62500000000000 22.990 > 2 32 Na 0.75000000000000 0.56127695482915 0.62500000000000 22.990 > 2 *33 Sb 0.00000000000000 0.44319968421117 0.37500000000000 121.760 > 3 34 Sb 0.50000000000000 0.44319968421117 0.37500000000000 121.760 > 3 35 Sb 0.00000000000000 0.94319968421117 0.37500000000000 121.760 > 3 36 Sb 0.50000000000000 0.94319968421117 0.37500000000000 121.760 > 3 37 Sb 0.00000000000000 0.44319968421117 0.87500000000000 121.760 > 3 38 Sb 0.50000000000000 0.44319968421117 0.87500000000000 121.760 > 3 39 Sb 0.00000000000000 0.94319968421117 0.87500000000000 121.760 > 3 40 Sb 0.50000000000000 0.94319968421117 0.87500000000000 121.760 > 3 41 Sb 0.00000000000000 0.05680031578883 0.12500000000000 121.760 > 4 42 Sb 0.50000000000000 0.05680031578883 0.12500000000000 121.760 > 4 43 Sb 0.00000000000000 0.55680031578883 0.12500000000000 121.760 > 4 44 Sb 0.50000000000000 0.55680031578883 0.12500000000000 121.760 > 4 45 Sb 0.00000000000000 0.05680031578883 0.62500000000000 121.760 > 4 46 Sb 0.50000000000000 0.05680031578883 0.62500000000000 121.760 > 4 47 Sb 0.00000000000000 0.55680031578883 0.62500000000000 121.760 > 4 48 Sb 0.50000000000000 0.55680031578883 0.62500000000000 121.760 > 4 49 Sb 0.25000000000000 0.19319968421117 0.37500000000000 121.760 > 3 50 Sb 0.75000000000000 0.19319968421117 0.37500000000000 121.760 > 3 51 Sb 0.25000000000000 0.69319968421117 0.37500000000000 121.760 > 3 52 Sb 0.75000000000000 0.69319968421117 0.37500000000000 121.760 > 3 53 Sb 0.25000000000000 0.19319968421117 0.87500000000000 121.760 > 3 54 Sb 0.75000000000000 0.19319968421117 0.87500000000000 121.760 > 3 55 Sb 0.25000000000000 0.69319968421117 0.87500000000000 121.760 > 3 56 Sb 0.75000000000000 0.69319968421117 0.87500000000000 121.760 > 3 57 Sb 0.25000000000000 0.30680031578883 0.12500000000000 121.760 > 4 58 Sb 0.75000000000000 0.30680031578883 0.12500000000000 121.760 > 4 59 Sb 0.25000000000000 0.80680031578883 0.12500000000000 121.760 > 4 60 Sb 0.75000000000000 0.80680031578883 0.12500000000000 121.760 > 4 61 Sb 0.25000000000000 0.30680031578883 0.62500000000000 121.760 > 4 62 Sb 0.75000000000000 0.30680031578883 0.62500000000000 121.760 > 4 63 Sb 0.25000000000000 0.80680031578883 0.62500000000000 121.760 > 4 64 Sb 0.75000000000000 0.80680031578883 0.62500000000000 121.760 > 4 *65 O 0.35067564861160 0.27997850793249 0.37200673405977 15.999 > 5 66 O 0.85067564861160 0.27997850793249 0.37200673405977 15.999 > 5 67 O 0.35067564861160 0.77997850793249 0.37200673405977 15.999 > 5 68 O 0.85067564861160 0.77997850793249 0.37200673405977 15.999 > 5 69 O 0.35067564861160 0.27997850793249 0.87200673405977 15.999 > 5 70 O 0.85067564861160 0.27997850793249 0.87200673405977 15.999 > 5 71 O 0.35067564861160 0.77997850793249 0.87200673405977 15.999 > 5 72 O 0.85067564861160 0.77997850793249 0.87200673405977 15.999 > 5 73 O 0.35067564861160 0.22002149206751 0.12200673405977 15.999 > 6 74 O 0.85067564861160 0.22002149206751 0.12200673405977 15.999 > 6 75 O 0.35067564861160 0.72002149206751 0.12200673405977 15.999 > 6 76 O 0.85067564861160 0.72002149206751 0.12200673405977 15.999 > 6 77 O 0.35067564861160 0.22002149206751 0.62200673405977 15.999 > 6 78 O 0.85067564861160 0.22002149206751 0.62200673405977 15.999 > 6 79 O 0.35067564861160 0.72002149206751 0.62200673405977 15.999 > 6 80 O 0.85067564861160 0.72002149206751 0.62200673405977 15.999 > 6 81 O 0.14932435138840 0.27997850793249 0.37799326594023 15.999 > 7 82 O 0.64932435138840 0.27997850793249 0.37799326594023 15.999 > 7 83 O 0.14932435138840 0.77997850793249 0.37799326594023 15.999 > 7 84 O 0.64932435138840 0.77997850793249 0.37799326594023 15.999 > 7 85 O 0.14932435138840 0.27997850793249 0.87799326594023 15.999 > 7 86 O 0.64932435138840 0.27997850793249 0.87799326594023 15.999 > 7 87 O 0.14932435138840 0.77997850793249 0.87799326594023 15.999 > 7 88 O 0.64932435138840 0.77997850793249 0.87799326594023 15.999 > 7 89 O 0.14932435138840 0.22002149206751 0.12799326594023 15.999 > 8 90 O 0.64932435138840 0.22002149206751 0.12799326594023 15.999 > 8 91 O 0.14932435138840 0.72002149206751 0.12799326594023 15.999 > 8 92 O 0.64932435138840 0.72002149206751 0.12799326594023 15.999 > 8 93 O 0.14932435138840 0.22002149206751 0.62799326594023 15.999 > 8 94 O 0.64932435138840 0.22002149206751 0.62799326594023 15.999 > 8 95 O 0.14932435138840 0.72002149206751 0.62799326594023 15.999 > 8 96 O 0.64932435138840 0.72002149206751 0.62799326594023 15.999 > 8 97 O 0.10067564861160 0.02997850793249 0.37200673405977 15.999 > 5 98 O 0.60067564861160 0.02997850793249 0.37200673405977 15.999 > 5 99 O 0.10067564861160 0.52997850793249 0.37200673405977 15.999 > 5 100 O 0.60067564861160 0.52997850793249 0.37200673405977 15.999 > 5 101 O 0.10067564861160 0.02997850793249 0.87200673405977 15.999 > 5 102 O 0.60067564861160 0.02997850793249 0.87200673405977 15.999 > 5 103 O 0.10067564861160 0.52997850793249 0.87200673405977 15.999 > 5 104 O 0.60067564861160 0.52997850793249 0.87200673405977 15.999 > 5 105 O 0.10067564861160 0.47002149206751 0.12200673405977 15.999 > 6 106 O 0.60067564861160 0.47002149206751 0.12200673405977 15.999 > 6 107 O 0.10067564861160 0.97002149206751 0.12200673405977 15.999 > 6 108 O 0.60067564861160 0.97002149206751 0.12200673405977 15.999 > 6 109 O 0.10067564861160 0.47002149206751 0.62200673405977 15.999 > 6 110 O 0.60067564861160 0.47002149206751 0.62200673405977 15.999 > 6 111 O 0.10067564861160 0.97002149206751 0.62200673405977 15.999 > 6 112 O 0.60067564861160 0.97002149206751 0.62200673405977 15.999 > 6 113 O 0.39932435138840 0.02997850793249 0.37799326594023 15.999 > 7 114 O 0.89932435138840 0.02997850793249 0.37799326594023 15.999 > 7 115 O 0.39932435138840 0.52997850793249 0.37799326594023 15.999 > 7 116 O 0.89932435138840 0.52997850793249 0.37799326594023 15.999 > 7 117 O 0.39932435138840 0.02997850793249 0.87799326594023 15.999 > 7 118 O 0.89932435138840 0.02997850793249 0.87799326594023 15.999 > 7 119 O 0.39932435138840 0.52997850793249 0.87799326594023 15.999 > 7 120 O 0.89932435138840 0.52997850793249 0.87799326594023 15.999 > 7 121 O 0.39932435138840 0.47002149206751 0.12799326594023 15.999 > 8 122 O 0.89932435138840 0.47002149206751 0.12799326594023 15.999 > 8 123 O 0.39932435138840 0.97002149206751 0.12799326594023 15.999 > 8 124 O 0.89932435138840 0.97002149206751 0.12799326594023 15.999 > 8 125 O 0.39932435138840 0.47002149206751 0.62799326594023 15.999 > 8 126 O 0.89932435138840 0.47002149206751 0.62799326594023 15.999 > 8 127 O 0.39932435138840 0.97002149206751 0.62799326594023 15.999 > 8 128 O 0.89932435138840 0.97002149206751 0.62799326594023 15.999 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8719914 0.0000000 -0.2820657 0.0000000 4.2369353 0.0000000 -0.2820667 0.0000000 4.9973756 -------------------------- Born effective charges -------------------------- 1 Na 1.1924225 0.0000000 0.0439543 0.0000000 1.1997061 0.0000000 0.0647182 0.0000000 1.1987042 2 Na 1.1924225 0.0000000 0.0439543 0.0000000 1.1997061 0.0000000 0.0647182 0.0000000 1.1987042 3 Sb 2.8339174 0.0000000 -1.1853681 0.0000000 2.4358611 0.0000000 -1.2913278 0.0000000 3.6961482 4 Sb 2.8339174 0.0000000 -1.1853681 0.0000000 2.4358611 0.0000000 -1.2913278 0.0000000 3.6961482 5 O -2.0131700 -1.2556473 0.5707069 -0.6174319 -1.8177836 0.2913785 0.6133048 0.7425667 -2.4474262 6 O -2.0131700 1.2556473 0.5707069 0.6174319 -1.8177836 -0.2913785 0.6133048 -0.7425667 -2.4474262 7 O -2.0131700 1.2556473 0.5707069 0.6174319 -1.8177836 -0.2913785 0.6133048 -0.7425667 -2.4474262 8 O -2.0131700 -1.2556473 0.5707069 -0.6174319 -1.8177836 0.2913785 0.6133048 0.7425667 -2.4474262 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 5712/5712 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1256 Number of blocks in projector: 1256 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: 272 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1256, 1238), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (240, 238), data: True |-- (240, 238), data: True |-- (272, 267), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.756 Solver_block: 200 / 240 - Time: 1.741 Solver_block: 240 / 240 - Time: 0.755 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.278 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 5712/5712 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1256 Number of blocks in projector: 1256 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: 272 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1256, 1238), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (240, 238), data: True |-- (240, 238), data: True |-- (272, 267), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:25:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:25:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.728686755154468 -3.710081640000000 0.000000000000000 b 3.728686755154468 3.710081640000000 0.000000000000000 c -3.463870909454184 0.000000000000000 4.367055649721038 Atomic positions (fractional): 1 Na 0.62255390965831 0.37744609034169 0.75000000000000 22.990 2 Na 0.37744609034169 0.62255390965831 0.25000000000000 22.990 3 Sb 0.11360063157766 0.88639936842234 0.75000000000000 121.760 4 Sb 0.88639936842234 0.11360063157766 0.25000000000000 121.760 5 O 0.14139428135822 0.26130831308817 0.74401346811954 15.999 6 O 0.26130831308816 0.14139428135822 0.24401346811954 15.999 7 O 0.73869168691183 0.85860571864178 0.75598653188046 15.999 8 O 0.85860571864178 0.73869168691183 0.25598653188046 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.914747020617870 0.000000000000000 0.000000000000000 b 0.000000000000000 14.840326559999999 0.000000000000000 c -6.927741818908368 0.000000000000000 8.734111299442077 Atomic positions (fractional): 1 Na 0.00000000000000 0.18872304517085 0.37500000000000 22.990 > 1 2 Na 0.50000000000000 0.18872304517085 0.37500000000000 22.990 > 1 3 Na 0.00000000000000 0.68872304517085 0.37500000000000 22.990 > 1 4 Na 0.50000000000000 0.68872304517085 0.37500000000000 22.990 > 1 5 Na 0.00000000000000 0.18872304517085 0.87500000000000 22.990 > 1 6 Na 0.50000000000000 0.18872304517085 0.87500000000000 22.990 > 1 7 Na 0.00000000000000 0.68872304517085 0.87500000000000 22.990 > 1 8 Na 0.50000000000000 0.68872304517085 0.87500000000000 22.990 > 1 9 Na 0.00000000000000 0.31127695482915 0.12500000000000 22.990 > 9 10 Na 0.50000000000000 0.31127695482915 0.12500000000000 22.990 > 9 11 Na 0.00000000000000 0.81127695482915 0.12500000000000 22.990 > 9 12 Na 0.50000000000000 0.81127695482915 0.12500000000000 22.990 > 9 13 Na 0.00000000000000 0.31127695482915 0.62500000000000 22.990 > 9 14 Na 0.50000000000000 0.31127695482915 0.62500000000000 22.990 > 9 15 Na 0.00000000000000 0.81127695482915 0.62500000000000 22.990 > 9 16 Na 0.50000000000000 0.81127695482915 0.62500000000000 22.990 > 9 17 Na 0.25000000000000 0.43872304517085 0.37500000000000 22.990 > 1 18 Na 0.75000000000000 0.43872304517085 0.37500000000000 22.990 > 1 19 Na 0.25000000000000 0.93872304517085 0.37500000000000 22.990 > 1 20 Na 0.75000000000000 0.93872304517085 0.37500000000000 22.990 > 1 21 Na 0.25000000000000 0.43872304517085 0.87500000000000 22.990 > 1 22 Na 0.75000000000000 0.43872304517085 0.87500000000000 22.990 > 1 23 Na 0.25000000000000 0.93872304517085 0.87500000000000 22.990 > 1 24 Na 0.75000000000000 0.93872304517085 0.87500000000000 22.990 > 1 25 Na 0.25000000000000 0.06127695482915 0.12500000000000 22.990 > 9 26 Na 0.75000000000000 0.06127695482915 0.12500000000000 22.990 > 9 27 Na 0.25000000000000 0.56127695482915 0.12500000000000 22.990 > 9 28 Na 0.75000000000000 0.56127695482915 0.12500000000000 22.990 > 9 29 Na 0.25000000000000 0.06127695482915 0.62500000000000 22.990 > 9 30 Na 0.75000000000000 0.06127695482915 0.62500000000000 22.990 > 9 31 Na 0.25000000000000 0.56127695482915 0.62500000000000 22.990 > 9 32 Na 0.75000000000000 0.56127695482915 0.62500000000000 22.990 > 9 33 Sb 0.00000000000000 0.44319968421117 0.37500000000000 121.760 > 33 34 Sb 0.50000000000000 0.44319968421117 0.37500000000000 121.760 > 33 35 Sb 0.00000000000000 0.94319968421117 0.37500000000000 121.760 > 33 36 Sb 0.50000000000000 0.94319968421117 0.37500000000000 121.760 > 33 37 Sb 0.00000000000000 0.44319968421117 0.87500000000000 121.760 > 33 38 Sb 0.50000000000000 0.44319968421117 0.87500000000000 121.760 > 33 39 Sb 0.00000000000000 0.94319968421117 0.87500000000000 121.760 > 33 40 Sb 0.50000000000000 0.94319968421117 0.87500000000000 121.760 > 33 41 Sb 0.00000000000000 0.05680031578883 0.12500000000000 121.760 > 41 42 Sb 0.50000000000000 0.05680031578883 0.12500000000000 121.760 > 41 43 Sb 0.00000000000000 0.55680031578883 0.12500000000000 121.760 > 41 44 Sb 0.50000000000000 0.55680031578883 0.12500000000000 121.760 > 41 45 Sb 0.00000000000000 0.05680031578883 0.62500000000000 121.760 > 41 46 Sb 0.50000000000000 0.05680031578883 0.62500000000000 121.760 > 41 47 Sb 0.00000000000000 0.55680031578883 0.62500000000000 121.760 > 41 48 Sb 0.50000000000000 0.55680031578883 0.62500000000000 121.760 > 41 49 Sb 0.25000000000000 0.19319968421117 0.37500000000000 121.760 > 33 50 Sb 0.75000000000000 0.19319968421117 0.37500000000000 121.760 > 33 51 Sb 0.25000000000000 0.69319968421117 0.37500000000000 121.760 > 33 52 Sb 0.75000000000000 0.69319968421117 0.37500000000000 121.760 > 33 53 Sb 0.25000000000000 0.19319968421117 0.87500000000000 121.760 > 33 54 Sb 0.75000000000000 0.19319968421117 0.87500000000000 121.760 > 33 55 Sb 0.25000000000000 0.69319968421117 0.87500000000000 121.760 > 33 56 Sb 0.75000000000000 0.69319968421117 0.87500000000000 121.760 > 33 57 Sb 0.25000000000000 0.30680031578883 0.12500000000000 121.760 > 41 58 Sb 0.75000000000000 0.30680031578883 0.12500000000000 121.760 > 41 59 Sb 0.25000000000000 0.80680031578883 0.12500000000000 121.760 > 41 60 Sb 0.75000000000000 0.80680031578883 0.12500000000000 121.760 > 41 61 Sb 0.25000000000000 0.30680031578883 0.62500000000000 121.760 > 41 62 Sb 0.75000000000000 0.30680031578883 0.62500000000000 121.760 > 41 63 Sb 0.25000000000000 0.80680031578883 0.62500000000000 121.760 > 41 64 Sb 0.75000000000000 0.80680031578883 0.62500000000000 121.760 > 41 65 O 0.35067564861160 0.27997850793249 0.37200673405977 15.999 > 65 66 O 0.85067564861160 0.27997850793249 0.37200673405977 15.999 > 65 67 O 0.35067564861160 0.77997850793249 0.37200673405977 15.999 > 65 68 O 0.85067564861160 0.77997850793249 0.37200673405977 15.999 > 65 69 O 0.35067564861160 0.27997850793249 0.87200673405977 15.999 > 65 70 O 0.85067564861160 0.27997850793249 0.87200673405977 15.999 > 65 71 O 0.35067564861160 0.77997850793249 0.87200673405977 15.999 > 65 72 O 0.85067564861160 0.77997850793249 0.87200673405977 15.999 > 65 73 O 0.35067564861160 0.22002149206751 0.12200673405977 15.999 > 73 74 O 0.85067564861160 0.22002149206751 0.12200673405977 15.999 > 73 75 O 0.35067564861160 0.72002149206751 0.12200673405977 15.999 > 73 76 O 0.85067564861160 0.72002149206751 0.12200673405977 15.999 > 73 77 O 0.35067564861160 0.22002149206751 0.62200673405977 15.999 > 73 78 O 0.85067564861160 0.22002149206751 0.62200673405977 15.999 > 73 79 O 0.35067564861160 0.72002149206751 0.62200673405977 15.999 > 73 80 O 0.85067564861160 0.72002149206751 0.62200673405977 15.999 > 73 81 O 0.14932435138840 0.27997850793249 0.37799326594023 15.999 > 81 82 O 0.64932435138840 0.27997850793249 0.37799326594023 15.999 > 81 83 O 0.14932435138840 0.77997850793249 0.37799326594023 15.999 > 81 84 O 0.64932435138840 0.77997850793249 0.37799326594023 15.999 > 81 85 O 0.14932435138840 0.27997850793249 0.87799326594023 15.999 > 81 86 O 0.64932435138840 0.27997850793249 0.87799326594023 15.999 > 81 87 O 0.14932435138840 0.77997850793249 0.87799326594023 15.999 > 81 88 O 0.64932435138840 0.77997850793249 0.87799326594023 15.999 > 81 89 O 0.14932435138840 0.22002149206751 0.12799326594023 15.999 > 89 90 O 0.64932435138840 0.22002149206751 0.12799326594023 15.999 > 89 91 O 0.14932435138840 0.72002149206751 0.12799326594023 15.999 > 89 92 O 0.64932435138840 0.72002149206751 0.12799326594023 15.999 > 89 93 O 0.14932435138840 0.22002149206751 0.62799326594023 15.999 > 89 94 O 0.64932435138840 0.22002149206751 0.62799326594023 15.999 > 89 95 O 0.14932435138840 0.72002149206751 0.62799326594023 15.999 > 89 96 O 0.64932435138840 0.72002149206751 0.62799326594023 15.999 > 89 97 O 0.10067564861160 0.02997850793249 0.37200673405977 15.999 > 65 98 O 0.60067564861160 0.02997850793249 0.37200673405977 15.999 > 65 99 O 0.10067564861160 0.52997850793249 0.37200673405977 15.999 > 65 100 O 0.60067564861160 0.52997850793249 0.37200673405977 15.999 > 65 101 O 0.10067564861160 0.02997850793249 0.87200673405977 15.999 > 65 102 O 0.60067564861160 0.02997850793249 0.87200673405977 15.999 > 65 103 O 0.10067564861160 0.52997850793249 0.87200673405977 15.999 > 65 104 O 0.60067564861160 0.52997850793249 0.87200673405977 15.999 > 65 105 O 0.10067564861160 0.47002149206751 0.12200673405977 15.999 > 73 106 O 0.60067564861160 0.47002149206751 0.12200673405977 15.999 > 73 107 O 0.10067564861160 0.97002149206751 0.12200673405977 15.999 > 73 108 O 0.60067564861160 0.97002149206751 0.12200673405977 15.999 > 73 109 O 0.10067564861160 0.47002149206751 0.62200673405977 15.999 > 73 110 O 0.60067564861160 0.47002149206751 0.62200673405977 15.999 > 73 111 O 0.10067564861160 0.97002149206751 0.62200673405977 15.999 > 73 112 O 0.60067564861160 0.97002149206751 0.62200673405977 15.999 > 73 113 O 0.39932435138840 0.02997850793249 0.37799326594023 15.999 > 81 114 O 0.89932435138840 0.02997850793249 0.37799326594023 15.999 > 81 115 O 0.39932435138840 0.52997850793249 0.37799326594023 15.999 > 81 116 O 0.89932435138840 0.52997850793249 0.37799326594023 15.999 > 81 117 O 0.39932435138840 0.02997850793249 0.87799326594023 15.999 > 81 118 O 0.89932435138840 0.02997850793249 0.87799326594023 15.999 > 81 119 O 0.39932435138840 0.52997850793249 0.87799326594023 15.999 > 81 120 O 0.89932435138840 0.52997850793249 0.87799326594023 15.999 > 81 121 O 0.39932435138840 0.47002149206751 0.12799326594023 15.999 > 89 122 O 0.89932435138840 0.47002149206751 0.12799326594023 15.999 > 89 123 O 0.39932435138840 0.97002149206751 0.12799326594023 15.999 > 89 124 O 0.89932435138840 0.97002149206751 0.12799326594023 15.999 > 89 125 O 0.39932435138840 0.47002149206751 0.62799326594023 15.999 > 89 126 O 0.89932435138840 0.47002149206751 0.62799326594023 15.999 > 89 127 O 0.39932435138840 0.97002149206751 0.62799326594023 15.999 > 89 128 O 0.89932435138840 0.97002149206751 0.62799326594023 15.999 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8719914 0.0000000 -0.2820657 0.0000000 4.2369353 0.0000000 -0.2820667 0.0000000 4.9973756 -------------------------- Born effective charges -------------------------- 1 Na 1.1924225 0.0000000 0.0439543 0.0000000 1.1997061 0.0000000 0.0647182 0.0000000 1.1987042 2 Na 1.1924225 0.0000000 0.0439543 0.0000000 1.1997061 0.0000000 0.0647182 0.0000000 1.1987042 3 Sb 2.8339174 0.0000000 -1.1853681 0.0000000 2.4358611 0.0000000 -1.2913278 0.0000000 3.6961482 4 Sb 2.8339174 0.0000000 -1.1853681 0.0000000 2.4358611 0.0000000 -1.2913278 0.0000000 3.6961482 5 O -2.0131700 -1.2556473 0.5707069 -0.6174319 -1.8177836 0.2913785 0.6133048 0.7425667 -2.4474262 6 O -2.0131700 1.2556473 0.5707069 0.6174319 -1.8177836 -0.2913785 0.6133048 -0.7425667 -2.4474262 7 O -2.0131700 1.2556473 0.5707069 0.6174319 -1.8177836 -0.2913785 0.6133048 -0.7425667 -2.4474262 8 O -2.0131700 -1.2556473 0.5707069 -0.6174319 -1.8177836 0.2913785 0.6133048 0.7425667 -2.4474262 ---------------------------------------------------------------------------- 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] [-0.0062 0.0000 0.0078] [ 0.0062 0.0000 -0.0078] Computing fc3[ 33, 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] [-0.0062 0.0000 0.0078] [ 0.0062 0.0000 -0.0078] Computing fc3[ 65, 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] [-0.0062 0.0000 0.0078] [ 0.0062 0.0000 -0.0078] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000023 (yyy) -0.00000023 (yyy) -0.00000023 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000006 (zx) 0.00000006 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:25:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:25:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.728686755154468 -3.710081640000000 0.000000000000000 b 3.728686755154468 3.710081640000000 0.000000000000000 c -3.463870909454184 0.000000000000000 4.367055649721038 Atomic positions (fractional): 1 Na 0.62255390965831 0.37744609034169 0.75000000000000 22.990 2 Na 0.37744609034169 0.62255390965831 0.25000000000000 22.990 3 Sb 0.11360063157766 0.88639936842234 0.75000000000000 121.760 4 Sb 0.88639936842234 0.11360063157766 0.25000000000000 121.760 5 O 0.14139428135822 0.26130831308817 0.74401346811954 15.999 6 O 0.26130831308816 0.14139428135822 0.24401346811954 15.999 7 O 0.73869168691183 0.85860571864178 0.75598653188046 15.999 8 O 0.85860571864178 0.73869168691183 0.25598653188046 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.914747020617870 0.000000000000000 0.000000000000000 b 0.000000000000000 14.840326559999999 0.000000000000000 c -6.927741818908368 0.000000000000000 8.734111299442077 Atomic positions (fractional): 1 Na 0.00000000000000 0.18872304517085 0.37500000000000 22.990 > 1 2 Na 0.50000000000000 0.18872304517085 0.37500000000000 22.990 > 1 3 Na 0.00000000000000 0.68872304517085 0.37500000000000 22.990 > 1 4 Na 0.50000000000000 0.68872304517085 0.37500000000000 22.990 > 1 5 Na 0.00000000000000 0.18872304517085 0.87500000000000 22.990 > 1 6 Na 0.50000000000000 0.18872304517085 0.87500000000000 22.990 > 1 7 Na 0.00000000000000 0.68872304517085 0.87500000000000 22.990 > 1 8 Na 0.50000000000000 0.68872304517085 0.87500000000000 22.990 > 1 9 Na 0.00000000000000 0.31127695482915 0.12500000000000 22.990 > 9 10 Na 0.50000000000000 0.31127695482915 0.12500000000000 22.990 > 9 11 Na 0.00000000000000 0.81127695482915 0.12500000000000 22.990 > 9 12 Na 0.50000000000000 0.81127695482915 0.12500000000000 22.990 > 9 13 Na 0.00000000000000 0.31127695482915 0.62500000000000 22.990 > 9 14 Na 0.50000000000000 0.31127695482915 0.62500000000000 22.990 > 9 15 Na 0.00000000000000 0.81127695482915 0.62500000000000 22.990 > 9 16 Na 0.50000000000000 0.81127695482915 0.62500000000000 22.990 > 9 17 Na 0.25000000000000 0.43872304517085 0.37500000000000 22.990 > 1 18 Na 0.75000000000000 0.43872304517085 0.37500000000000 22.990 > 1 19 Na 0.25000000000000 0.93872304517085 0.37500000000000 22.990 > 1 20 Na 0.75000000000000 0.93872304517085 0.37500000000000 22.990 > 1 21 Na 0.25000000000000 0.43872304517085 0.87500000000000 22.990 > 1 22 Na 0.75000000000000 0.43872304517085 0.87500000000000 22.990 > 1 23 Na 0.25000000000000 0.93872304517085 0.87500000000000 22.990 > 1 24 Na 0.75000000000000 0.93872304517085 0.87500000000000 22.990 > 1 25 Na 0.25000000000000 0.06127695482915 0.12500000000000 22.990 > 9 26 Na 0.75000000000000 0.06127695482915 0.12500000000000 22.990 > 9 27 Na 0.25000000000000 0.56127695482915 0.12500000000000 22.990 > 9 28 Na 0.75000000000000 0.56127695482915 0.12500000000000 22.990 > 9 29 Na 0.25000000000000 0.06127695482915 0.62500000000000 22.990 > 9 30 Na 0.75000000000000 0.06127695482915 0.62500000000000 22.990 > 9 31 Na 0.25000000000000 0.56127695482915 0.62500000000000 22.990 > 9 32 Na 0.75000000000000 0.56127695482915 0.62500000000000 22.990 > 9 33 Sb 0.00000000000000 0.44319968421117 0.37500000000000 121.760 > 33 34 Sb 0.50000000000000 0.44319968421117 0.37500000000000 121.760 > 33 35 Sb 0.00000000000000 0.94319968421117 0.37500000000000 121.760 > 33 36 Sb 0.50000000000000 0.94319968421117 0.37500000000000 121.760 > 33 37 Sb 0.00000000000000 0.44319968421117 0.87500000000000 121.760 > 33 38 Sb 0.50000000000000 0.44319968421117 0.87500000000000 121.760 > 33 39 Sb 0.00000000000000 0.94319968421117 0.87500000000000 121.760 > 33 40 Sb 0.50000000000000 0.94319968421117 0.87500000000000 121.760 > 33 41 Sb 0.00000000000000 0.05680031578883 0.12500000000000 121.760 > 41 42 Sb 0.50000000000000 0.05680031578883 0.12500000000000 121.760 > 41 43 Sb 0.00000000000000 0.55680031578883 0.12500000000000 121.760 > 41 44 Sb 0.50000000000000 0.55680031578883 0.12500000000000 121.760 > 41 45 Sb 0.00000000000000 0.05680031578883 0.62500000000000 121.760 > 41 46 Sb 0.50000000000000 0.05680031578883 0.62500000000000 121.760 > 41 47 Sb 0.00000000000000 0.55680031578883 0.62500000000000 121.760 > 41 48 Sb 0.50000000000000 0.55680031578883 0.62500000000000 121.760 > 41 49 Sb 0.25000000000000 0.19319968421117 0.37500000000000 121.760 > 33 50 Sb 0.75000000000000 0.19319968421117 0.37500000000000 121.760 > 33 51 Sb 0.25000000000000 0.69319968421117 0.37500000000000 121.760 > 33 52 Sb 0.75000000000000 0.69319968421117 0.37500000000000 121.760 > 33 53 Sb 0.25000000000000 0.19319968421117 0.87500000000000 121.760 > 33 54 Sb 0.75000000000000 0.19319968421117 0.87500000000000 121.760 > 33 55 Sb 0.25000000000000 0.69319968421117 0.87500000000000 121.760 > 33 56 Sb 0.75000000000000 0.69319968421117 0.87500000000000 121.760 > 33 57 Sb 0.25000000000000 0.30680031578883 0.12500000000000 121.760 > 41 58 Sb 0.75000000000000 0.30680031578883 0.12500000000000 121.760 > 41 59 Sb 0.25000000000000 0.80680031578883 0.12500000000000 121.760 > 41 60 Sb 0.75000000000000 0.80680031578883 0.12500000000000 121.760 > 41 61 Sb 0.25000000000000 0.30680031578883 0.62500000000000 121.760 > 41 62 Sb 0.75000000000000 0.30680031578883 0.62500000000000 121.760 > 41 63 Sb 0.25000000000000 0.80680031578883 0.62500000000000 121.760 > 41 64 Sb 0.75000000000000 0.80680031578883 0.62500000000000 121.760 > 41 65 O 0.35067564861160 0.27997850793249 0.37200673405977 15.999 > 65 66 O 0.85067564861160 0.27997850793249 0.37200673405977 15.999 > 65 67 O 0.35067564861160 0.77997850793249 0.37200673405977 15.999 > 65 68 O 0.85067564861160 0.77997850793249 0.37200673405977 15.999 > 65 69 O 0.35067564861160 0.27997850793249 0.87200673405977 15.999 > 65 70 O 0.85067564861160 0.27997850793249 0.87200673405977 15.999 > 65 71 O 0.35067564861160 0.77997850793249 0.87200673405977 15.999 > 65 72 O 0.85067564861160 0.77997850793249 0.87200673405977 15.999 > 65 73 O 0.35067564861160 0.22002149206751 0.12200673405977 15.999 > 73 74 O 0.85067564861160 0.22002149206751 0.12200673405977 15.999 > 73 75 O 0.35067564861160 0.72002149206751 0.12200673405977 15.999 > 73 76 O 0.85067564861160 0.72002149206751 0.12200673405977 15.999 > 73 77 O 0.35067564861160 0.22002149206751 0.62200673405977 15.999 > 73 78 O 0.85067564861160 0.22002149206751 0.62200673405977 15.999 > 73 79 O 0.35067564861160 0.72002149206751 0.62200673405977 15.999 > 73 80 O 0.85067564861160 0.72002149206751 0.62200673405977 15.999 > 73 81 O 0.14932435138840 0.27997850793249 0.37799326594023 15.999 > 81 82 O 0.64932435138840 0.27997850793249 0.37799326594023 15.999 > 81 83 O 0.14932435138840 0.77997850793249 0.37799326594023 15.999 > 81 84 O 0.64932435138840 0.77997850793249 0.37799326594023 15.999 > 81 85 O 0.14932435138840 0.27997850793249 0.87799326594023 15.999 > 81 86 O 0.64932435138840 0.27997850793249 0.87799326594023 15.999 > 81 87 O 0.14932435138840 0.77997850793249 0.87799326594023 15.999 > 81 88 O 0.64932435138840 0.77997850793249 0.87799326594023 15.999 > 81 89 O 0.14932435138840 0.22002149206751 0.12799326594023 15.999 > 89 90 O 0.64932435138840 0.22002149206751 0.12799326594023 15.999 > 89 91 O 0.14932435138840 0.72002149206751 0.12799326594023 15.999 > 89 92 O 0.64932435138840 0.72002149206751 0.12799326594023 15.999 > 89 93 O 0.14932435138840 0.22002149206751 0.62799326594023 15.999 > 89 94 O 0.64932435138840 0.22002149206751 0.62799326594023 15.999 > 89 95 O 0.14932435138840 0.72002149206751 0.62799326594023 15.999 > 89 96 O 0.64932435138840 0.72002149206751 0.62799326594023 15.999 > 89 97 O 0.10067564861160 0.02997850793249 0.37200673405977 15.999 > 65 98 O 0.60067564861160 0.02997850793249 0.37200673405977 15.999 > 65 99 O 0.10067564861160 0.52997850793249 0.37200673405977 15.999 > 65 100 O 0.60067564861160 0.52997850793249 0.37200673405977 15.999 > 65 101 O 0.10067564861160 0.02997850793249 0.87200673405977 15.999 > 65 102 O 0.60067564861160 0.02997850793249 0.87200673405977 15.999 > 65 103 O 0.10067564861160 0.52997850793249 0.87200673405977 15.999 > 65 104 O 0.60067564861160 0.52997850793249 0.87200673405977 15.999 > 65 105 O 0.10067564861160 0.47002149206751 0.12200673405977 15.999 > 73 106 O 0.60067564861160 0.47002149206751 0.12200673405977 15.999 > 73 107 O 0.10067564861160 0.97002149206751 0.12200673405977 15.999 > 73 108 O 0.60067564861160 0.97002149206751 0.12200673405977 15.999 > 73 109 O 0.10067564861160 0.47002149206751 0.62200673405977 15.999 > 73 110 O 0.60067564861160 0.47002149206751 0.62200673405977 15.999 > 73 111 O 0.10067564861160 0.97002149206751 0.62200673405977 15.999 > 73 112 O 0.60067564861160 0.97002149206751 0.62200673405977 15.999 > 73 113 O 0.39932435138840 0.02997850793249 0.37799326594023 15.999 > 81 114 O 0.89932435138840 0.02997850793249 0.37799326594023 15.999 > 81 115 O 0.39932435138840 0.52997850793249 0.37799326594023 15.999 > 81 116 O 0.89932435138840 0.52997850793249 0.37799326594023 15.999 > 81 117 O 0.39932435138840 0.02997850793249 0.87799326594023 15.999 > 81 118 O 0.89932435138840 0.02997850793249 0.87799326594023 15.999 > 81 119 O 0.39932435138840 0.52997850793249 0.87799326594023 15.999 > 81 120 O 0.89932435138840 0.52997850793249 0.87799326594023 15.999 > 81 121 O 0.39932435138840 0.47002149206751 0.12799326594023 15.999 > 89 122 O 0.89932435138840 0.47002149206751 0.12799326594023 15.999 > 89 123 O 0.39932435138840 0.97002149206751 0.12799326594023 15.999 > 89 124 O 0.89932435138840 0.97002149206751 0.12799326594023 15.999 > 89 125 O 0.39932435138840 0.47002149206751 0.62799326594023 15.999 > 89 126 O 0.89932435138840 0.47002149206751 0.62799326594023 15.999 > 89 127 O 0.39932435138840 0.97002149206751 0.62799326594023 15.999 > 89 128 O 0.89932435138840 0.97002149206751 0.62799326594023 15.999 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8719914 0.0000000 -0.2820657 0.0000000 4.2369353 0.0000000 -0.2820667 0.0000000 4.9973756 -------------------------- Born effective charges -------------------------- 1 Na 1.1924225 0.0000000 0.0439543 0.0000000 1.1997061 0.0000000 0.0647182 0.0000000 1.1987042 2 Na 1.1924225 0.0000000 0.0439543 0.0000000 1.1997061 0.0000000 0.0647182 0.0000000 1.1987042 3 Sb 2.8339174 0.0000000 -1.1853681 0.0000000 2.4358611 0.0000000 -1.2913278 0.0000000 3.6961482 4 Sb 2.8339174 0.0000000 -1.1853681 0.0000000 2.4358611 0.0000000 -1.2913278 0.0000000 3.6961482 5 O -2.0131700 -1.2556473 0.5707069 -0.6174319 -1.8177836 0.2913785 0.6133048 0.7425667 -2.4474262 6 O -2.0131700 1.2556473 0.5707069 0.6174319 -1.8177836 -0.2913785 0.6133048 -0.7425667 -2.4474262 7 O -2.0131700 1.2556473 0.5707069 0.6174319 -1.8177836 -0.2913785 0.6133048 -0.7425667 -2.4474262 8 O -2.0131700 -1.2556473 0.5707069 -0.6174319 -1.8177836 0.2913785 0.6133048 0.7425667 -2.4474262 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000023 (yyy) -0.00000023 (yyy) -0.00000023 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 11 11 11 ] 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: 0.84, Number of G-points: 297, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/366) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.018 ( 0.000 0.000 0.000) 0.000 2.526 ( 0.000 0.000 0.000) 0.000 3.315 ( 0.000 0.000 0.000) 0.000 3.565 ( 0.000 0.000 0.000) 0.000 3.808 ( 0.000 0.000 0.000) 0.000 4.040 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 5.498 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 0.000 0.000) 0.000 6.935 ( 0.000 0.000 0.000) 0.000 6.969 ( 0.000 0.000 0.000) 0.000 7.393 ( 0.000 0.000 0.000) 0.000 8.902 ( 0.000 0.000 0.000) 0.000 9.134 ( 0.000 0.000 0.000) 0.000 12.132 ( 0.000 0.000 0.000) 0.000 12.716 ( 0.000 0.000 0.000) 0.000 12.798 ( 0.000 0.000 0.000) 0.000 15.333 ( 0.000 0.000 0.000) 0.000 16.615 ( 0.000 0.000 0.000) 0.000 17.079 ( 0.000 0.000 0.000) 0.000 17.401 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/366) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.191 ( 3.271 -5.761 9.712) 11.756 0.460 ( 14.204 -12.185 12.852) 22.702 0.799 ( 24.979 -10.959 33.422) 43.140 1.998 ( 0.291 0.743 -3.090) 3.191 2.716 ( 23.101 11.458 -8.729) 27.224 3.531 ( -0.212 -1.453 -8.365) 8.493 3.713 ( -5.082 -7.374 -9.054) 12.734 3.935 ( 0.104 -15.913 -7.163) 17.451 4.360 ( 2.932 -16.972 -26.698) 31.771 5.434 ( -2.902 1.795 -4.290) 5.481 5.483 ( -1.535 -0.218 -1.410) 2.096 6.126 ( -0.409 -1.783 -0.625) 1.933 6.859 ( 4.526 0.715 -14.699) 15.397 7.067 ( 5.278 0.589 5.566) 7.693 7.373 ( -2.103 -0.453 -1.475) 2.608 8.998 ( 7.868 -5.065 -9.933) 13.647 9.709 (-106.433 4.194 143.617) 178.805 12.194 ( -0.068 -4.515 1.641) 4.804 12.716 ( 0.389 -0.026 -0.593) 0.710 12.794 ( 0.320 0.568 -0.195) 0.680 16.008 ( 65.135 51.198 -15.013) 84.198 16.635 ( 2.467 -1.246 -0.957) 2.925 17.414 ( 0.239 -2.756 -0.953) 2.926 18.295 ( -14.385 -66.322 -61.429) 91.537 ======================= Grid point 2 (3/366) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 6.512 -6.391 11.201) 14.447 0.881 ( 12.617 -10.860 10.675) 19.776 1.482 ( 20.933 -6.167 25.445) 33.521 1.966 ( 0.084 -0.937 -2.634) 2.797 2.791 ( 8.522 1.422 0.036) 8.640 3.456 ( 1.886 -0.324 -10.027) 10.208 3.690 ( -2.453 -1.479 2.367) 3.716 4.052 ( 1.621 -4.458 2.837) 5.528 4.343 ( 1.633 -10.053 -16.400) 19.306 5.291 ( -5.753 2.673 -8.206) 10.372 5.436 ( -3.191 -0.105 -2.774) 4.230 6.148 ( 0.003 -2.955 -0.037) 2.956 6.765 ( 2.009 1.006 -10.710) 10.943 7.166 ( 4.130 1.714 4.268) 6.182 7.348 ( -0.916 -2.318 -1.437) 2.877 9.068 ( 5.913 0.687 0.484) 5.972 9.767 ( -46.199 -1.829 63.699) 78.710 12.292 ( 4.151 -4.319 1.687) 6.223 12.716 ( 0.284 0.045 -0.279) 0.400 12.792 ( 0.778 0.656 -0.063) 1.020 16.031 ( 29.693 23.523 -5.491) 38.277 16.676 ( 2.640 -1.634 -1.266) 3.353 17.459 ( 1.322 -4.983 -1.309) 5.319 18.340 ( -5.188 -30.392 -28.228) 41.802 ======================= Grid point 3 (4/366) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 10.556 -7.683 12.284) 17.927 1.231 ( 10.062 -8.732 7.723) 15.399 1.828 ( 4.557 0.086 1.490) 4.795 2.073 ( 8.100 -4.291 11.635) 14.812 2.874 ( 3.539 -0.892 1.752) 4.049 3.410 ( 3.386 -0.521 -7.149) 7.927 3.744 ( 0.810 -0.796 8.778) 8.851 4.124 ( 0.741 2.202 5.365) 5.846 4.346 ( 2.482 -9.720 -12.230) 15.818 5.080 ( -8.533 2.797 -9.673) 13.199 5.354 ( -4.137 0.454 -4.482) 6.116 6.196 ( 0.678 -3.116 0.967) 3.332 6.681 ( 1.030 0.802 -7.906) 8.013 7.186 ( 0.271 2.374 0.978) 2.582 7.401 ( 3.558 -3.500 0.103) 4.992 9.121 ( 3.754 3.072 2.848) 5.625 9.853 ( -23.515 -3.680 34.584) 41.983 12.422 ( 6.565 -4.333 0.083) 7.866 12.716 ( -0.821 0.395 1.529) 1.780 12.798 ( 1.177 0.290 0.153) 1.222 16.046 ( 16.975 14.083 -2.567) 22.205 16.701 ( 0.226 -1.191 -1.356) 1.819 17.545 ( 3.187 -6.175 -0.765) 6.991 18.350 ( -3.722 -15.158 -16.778) 22.915 ======================= Grid point 4 (5/366) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 12.749 -7.970 11.519) 18.941 1.481 ( 6.373 -5.602 4.607) 9.655 1.807 ( -4.071 -0.053 -2.540) 4.799 2.305 ( 6.345 -1.940 6.931) 9.595 2.921 ( 2.128 0.171 0.077) 2.137 3.405 ( 2.503 -1.287 -4.135) 5.002 3.896 ( 3.629 -0.465 13.745) 14.223 4.121 ( 0.763 2.944 -0.125) 3.044 4.400 ( 2.392 -6.576 -5.403) 8.841 4.855 ( -8.931 1.566 -6.883) 11.384 5.241 ( -4.080 1.338 -5.726) 7.158 6.252 ( 0.880 -2.343 1.292) 2.816 6.621 ( 0.590 0.301 -5.099) 5.142 7.163 ( -0.426 1.378 -0.060) 1.443 7.487 ( 3.580 -2.516 -0.041) 4.376 9.141 ( 1.955 3.092 2.272) 4.306 9.941 ( -11.263 -3.152 18.186) 21.622 12.547 ( 7.556 -3.834 -2.915) 8.961 12.713 ( -2.998 1.141 4.314) 5.376 12.814 ( 1.209 -0.153 0.186) 1.233 16.052 ( 9.677 8.407 -1.195) 12.874 16.687 ( -1.833 -0.672 -1.283) 2.336 17.666 ( 4.396 -5.804 0.336) 7.288 18.295 ( -4.163 -5.505 -10.259) 12.365 ======================= Grid point 5 (6/366) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 11.742 -5.998 7.916) 15.379 1.604 ( 1.159 -0.664 1.781) 2.227 1.689 ( -7.579 1.231 -4.337) 8.818 2.412 ( 1.961 -0.769 1.926) 2.855 2.932 ( 0.967 0.436 -0.413) 1.138 3.413 ( 0.931 -0.690 -1.457) 1.862 4.054 ( -1.359 2.318 13.242) 13.512 4.101 ( 4.985 -1.651 -6.470) 8.333 4.406 ( -1.187 -0.614 -3.852) 4.077 4.747 ( -2.742 -1.193 -0.073) 2.991 5.132 ( -2.147 1.242 -3.674) 4.433 6.290 ( 0.401 -0.874 0.593) 1.130 6.590 ( 0.207 0.033 -1.808) 1.820 7.147 ( -0.179 0.441 -0.121) 0.491 7.539 ( 1.391 -0.928 -0.110) 1.676 9.144 ( 0.615 1.269 0.809) 1.626 9.997 ( -3.344 -1.211 5.778) 6.785 12.635 ( 6.196 -2.615 -4.847) 8.290 12.696 ( -4.490 1.681 5.411) 7.229 12.829 ( 0.526 -0.151 0.081) 0.553 16.054 ( 3.308 2.922 -0.333) 4.427 16.662 ( -1.155 -0.241 -0.569) 1.310 17.777 ( 2.725 -2.880 0.733) 4.032 18.211 ( -2.625 -0.572 -4.011) 4.828 ======================= Grid point 12 (7/366) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 11.815 -0.000 10.269) 15.654 0.701 ( 15.241 -0.000 14.850) 21.279 1.391 ( 24.411 -0.000 32.465) 40.619 1.953 ( -1.213 0.000 -4.254) 4.423 3.059 ( 27.346 -0.000 -26.696) 38.216 3.324 ( 1.729 -0.000 -1.193) 2.101 3.509 ( -1.268 0.000 -2.830) 3.101 3.893 ( 3.666 -0.000 3.127) 4.819 4.235 ( -0.646 0.000 -1.089) 1.266 5.324 ( -6.362 0.000 -9.002) 11.023 5.430 ( -2.364 0.000 -3.999) 4.645 6.108 ( 0.275 -0.000 -0.100) 0.292 6.779 ( 3.305 -0.000 -12.570) 12.998 7.190 ( 6.149 -0.000 4.715) 7.748 7.317 ( -5.005 0.000 0.402) 5.021 9.093 ( 7.587 -0.000 7.020) 10.336 9.727 ( -71.357 0.000 88.016) 113.308 12.233 ( 5.424 -0.000 2.719) 6.067 12.716 ( 0.619 -0.000 -0.514) 0.804 12.808 ( -1.340 0.000 2.465) 2.805 16.608 ( 1.561 -0.000 -2.160) 2.665 16.951 ( 25.230 -0.000 -40.756) 47.933 17.223 ( 7.180 -0.000 5.251) 8.895 17.515 ( 18.782 -0.000 -13.998) 23.424 ======================= Grid point 13 (8/366) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 13.722 1.389 12.685) 18.738 1.046 ( 12.735 -5.257 11.721) 18.088 1.864 ( 5.142 2.677 3.874) 6.972 1.960 ( 10.847 -4.539 12.667) 17.283 3.013 ( 13.104 13.078 -3.596) 18.859 3.383 ( 1.261 -2.200 -5.443) 6.004 3.593 ( 4.760 -13.738 -3.966) 15.071 4.014 ( 3.713 -6.836 2.565) 8.191 4.220 ( -2.649 0.716 2.421) 3.660 5.118 ( -9.185 0.574 -12.329) 15.385 5.349 ( -3.590 -0.411 -5.684) 6.735 6.132 ( 1.460 -1.566 0.658) 2.241 6.699 ( 1.406 0.492 -9.041) 9.163 7.246 ( -2.669 2.140 1.819) 3.875 7.325 ( 4.337 -2.441 2.201) 5.442 9.231 ( 6.154 4.303 7.952) 10.937 9.741 ( -35.866 -4.204 45.360) 57.979 12.346 ( 7.528 -1.672 1.217) 7.806 12.722 ( -0.280 0.135 1.536) 1.567 12.811 ( -1.567 0.469 2.619) 3.088 16.529 ( 10.981 17.170 -7.628) 21.762 16.731 ( 8.666 8.349 -8.981) 15.016 17.426 ( 5.103 -3.734 1.471) 6.492 17.806 ( 12.530 -25.299 -14.359) 31.674 ======================= Grid point 14 (9/366) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 14.947 -1.268 13.949) 20.484 1.341 ( 9.290 -5.072 7.869) 13.189 1.828 ( -2.369 1.391 -0.972) 2.914 2.247 ( 7.899 -2.221 6.164) 10.263 3.009 ( 7.852 7.727 1.315) 11.095 3.367 ( 0.321 -1.342 -3.082) 3.377 3.803 ( 9.133 -9.165 -0.351) 12.943 4.151 ( -0.924 -6.791 -2.785) 7.397 4.225 ( 1.124 1.004 9.786) 9.901 4.871 ( -10.561 -0.206 -11.781) 15.823 5.244 ( -4.335 -0.630 -7.298) 8.512 6.187 ( 2.324 -2.402 0.441) 3.371 6.632 ( 0.182 0.501 -5.327) 5.354 7.201 ( -3.355 1.377 1.737) 4.021 7.428 ( 5.124 -1.936 0.649) 5.516 9.283 ( 2.474 7.521 7.469) 10.884 9.824 ( -15.617 -6.064 22.570) 28.108 12.468 ( 8.986 -2.390 -2.449) 9.615 12.734 ( -2.363 0.599 4.998) 5.561 12.812 ( -1.632 -0.005 2.448) 2.942 16.384 ( 11.598 16.883 -6.898) 21.613 16.691 ( 1.470 0.866 -3.253) 3.673 17.555 ( 8.238 -2.244 1.437) 8.658 18.050 ( 5.937 -14.652 -8.795) 18.091 ======================= Grid point 15 (10/366) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 14.292 -2.784 11.977) 18.854 1.544 ( 5.625 -3.314 4.816) 8.112 1.756 ( -5.140 3.423 0.799) 6.227 2.351 ( 0.982 -3.056 -0.344) 3.228 3.018 ( 5.986 6.082 0.160) 8.536 3.370 ( -0.211 -2.161 -1.091) 2.430 3.990 ( 7.508 -7.361 -6.721) 12.479 4.134 ( -3.629 2.116 5.520) 6.937 4.353 ( 2.013 -2.020 2.185) 3.593 4.697 ( -6.211 -2.879 -1.643) 7.040 5.126 ( -4.026 -1.248 -8.121) 9.150 6.246 ( 2.456 -2.324 -0.772) 3.468 6.593 ( -0.381 0.221 -1.366) 1.435 7.167 ( -2.787 1.016 2.145) 3.661 7.504 ( 3.493 -1.592 -0.350) 3.855 9.264 ( 0.485 7.843 5.080) 9.357 9.922 ( -5.033 -4.808 9.023) 11.396 12.568 ( 9.190 -2.458 -6.271) 11.394 12.741 ( -5.098 1.543 8.071) 9.670 12.818 ( -1.852 -0.633 2.208) 2.951 16.254 ( 5.867 12.195 -5.683) 14.678 16.677 ( 2.195 1.197 -1.312) 2.824 17.703 ( 8.554 -2.071 1.556) 8.938 18.158 ( 3.341 -4.768 -3.563) 6.826 ======================= Grid point 16 (11/366) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 3.497 0.574 0.981) 3.677 1.617 ( -4.291 4.718 1.929) 6.663 1.690 ( 6.450 0.559 6.409) 9.110 2.364 ( -3.839 -4.070 -2.186) 6.007 3.006 ( 4.613 5.787 -1.015) 7.470 3.390 ( -1.443 -2.260 1.469) 3.057 3.992 ( 1.513 -3.639 -14.229) 14.765 4.128 ( -5.777 0.973 3.159) 6.656 4.376 ( 1.582 -2.365 1.184) 3.082 4.750 ( 1.524 -1.042 4.569) 4.928 5.061 ( -0.509 -4.055 -2.631) 4.861 6.282 ( 1.922 -1.416 -2.358) 3.355 6.591 ( -0.656 0.079 2.407) 2.496 7.150 ( -2.263 0.609 2.651) 3.539 7.542 ( 1.055 -0.539 -0.305) 1.224 9.212 ( -0.804 6.414 3.022) 7.136 9.980 ( 1.360 -2.544 -2.079) 3.556 12.629 ( 7.933 -1.908 -8.110) 11.504 12.723 ( -7.154 2.626 8.898) 11.715 12.822 ( -2.409 -0.716 2.079) 3.262 16.118 ( -0.071 7.313 -4.689) 8.687 16.692 ( 4.551 2.137 0.058) 5.028 17.812 ( 4.525 0.278 0.332) 4.546 18.225 ( 5.767 0.423 3.062) 6.544 ======================= Grid point 17 (12/366) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -8.528 12.344 -3.848) 15.489 1.590 ( -2.424 3.119 -1.252) 4.144 1.830 ( 6.380 1.558 4.114) 7.749 2.309 ( -6.158 -2.009 -4.875) 8.107 2.979 ( 2.977 4.680 -0.186) 5.550 3.409 ( -3.503 -1.158 3.887) 5.359 3.878 ( 0.408 -1.585 -17.742) 17.817 4.061 ( -5.828 -1.960 0.301) 6.156 4.460 ( -0.781 -1.297 5.184) 5.401 4.805 ( 4.652 -2.284 0.390) 5.197 5.169 ( 4.106 -4.308 5.714) 8.251 6.282 ( 1.252 -0.031 -3.203) 3.439 6.618 ( -0.856 0.056 5.155) 5.226 7.146 ( -1.948 0.105 2.649) 3.290 7.535 ( -1.470 1.235 0.134) 1.924 9.155 ( -1.997 4.129 2.357) 5.157 9.974 ( 6.812 -0.477 -13.357) 15.001 12.633 ( 0.511 2.010 -3.627) 4.178 12.693 ( -2.532 0.626 3.592) 4.439 12.815 ( -2.975 -0.193 2.230) 3.723 15.989 ( -4.578 2.671 -3.373) 6.282 16.728 ( 5.291 2.682 0.554) 5.958 17.801 ( -0.430 4.641 -0.363) 4.675 18.370 ( 9.796 1.784 9.267) 13.602 ======================= Grid point 18 (13/366) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -5.719 15.904 -5.017) 17.630 1.439 ( -6.820 7.796 -4.068) 11.128 1.856 ( -2.851 1.997 -0.316) 3.496 2.163 ( -4.781 2.890 -9.068) 10.651 2.961 ( 2.885 4.890 0.361) 5.689 3.404 ( -6.347 -1.001 5.341) 8.356 3.740 ( 2.226 -0.543 -14.579) 14.758 4.044 ( -2.696 -3.926 -1.909) 5.131 4.467 ( -5.617 0.548 6.142) 8.341 4.967 ( 7.938 -6.489 3.561) 10.854 5.322 ( 4.469 -1.893 6.239) 7.905 6.257 ( 0.942 1.449 -2.528) 3.062 6.667 ( -0.845 -0.314 6.744) 6.803 7.146 ( -2.116 -0.601 1.450) 2.635 7.483 ( -2.886 2.973 0.550) 4.180 9.112 ( -3.239 2.378 3.646) 5.426 9.904 ( 13.050 0.519 -25.767) 28.887 12.542 ( -4.150 5.043 -0.145) 6.532 12.702 ( 0.667 -0.570 -0.333) 0.938 12.801 ( -2.834 0.418 2.747) 3.969 15.873 ( -8.821 -1.028 -2.021) 9.108 16.755 ( 3.829 3.183 0.448) 4.999 17.712 ( -1.649 6.951 0.458) 7.159 18.571 ( 10.445 4.554 13.577) 17.725 ======================= Grid point 19 (14/366) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 0.820 17.573 -3.328) 17.904 1.162 ( -9.655 11.512 -7.385) 16.741 1.640 ( -14.602 6.273 -12.917) 20.480 2.023 ( -0.085 3.965 -2.849) 4.884 2.908 ( 1.748 7.949 -1.848) 8.346 3.421 ( -5.599 -3.333 9.765) 11.740 3.678 ( 4.968 -0.635 -9.705) 10.921 4.038 ( -1.336 -3.036 -3.343) 4.710 4.470 ( -5.940 -0.789 9.877) 11.553 5.176 ( 6.036 -7.047 3.208) 9.817 5.436 ( 3.423 0.134 5.126) 6.165 6.226 ( 0.889 2.705 -0.891) 2.983 6.737 ( -0.579 -1.120 7.852) 7.953 7.127 ( -3.239 -0.949 -1.413) 3.659 7.419 ( -1.969 3.309 1.439) 4.110 9.090 ( -4.852 2.440 8.340) 9.952 9.788 ( 21.047 -0.058 -40.453) 45.601 12.422 ( -3.221 5.946 -0.731) 6.801 12.712 ( 0.159 -0.301 0.055) 0.344 12.794 ( -1.711 0.831 3.341) 3.845 15.747 ( -14.279 -3.020 -0.907) 14.623 16.747 ( 1.258 3.860 0.336) 4.074 17.612 ( -1.249 7.255 1.007) 7.430 18.768 ( 10.290 8.303 17.559) 21.981 ======================= Grid point 20 (15/366) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 4.814 17.932 1.693) 18.644 0.797 ( -7.604 14.574 -11.500) 20.062 1.156 ( -16.358 15.847 -16.659) 28.218 1.983 ( -0.884 0.898 0.846) 1.518 2.786 ( -1.032 9.134 -1.389) 9.297 3.531 ( -2.306 -2.461 12.879) 13.313 3.670 ( 4.906 -2.652 -8.439) 10.115 4.025 ( -0.380 -1.489 -2.217) 2.698 4.546 ( -3.144 -2.802 13.341) 13.990 5.334 ( 3.116 -6.407 0.709) 7.160 5.502 ( 1.864 1.385 3.726) 4.390 6.195 ( 0.646 3.290 0.158) 3.356 6.830 ( -0.420 -1.784 8.840) 9.028 7.056 ( -3.814 0.069 -5.023) 6.308 7.394 ( -0.322 1.533 1.883) 2.450 9.106 ( -7.599 3.997 19.922) 21.694 9.638 ( 29.642 -1.807 -56.593) 63.912 12.317 ( -0.698 5.550 -0.891) 5.664 12.715 ( -0.121 -0.089 0.230) 0.275 12.803 ( -0.127 1.114 2.995) 3.198 15.568 ( -19.551 -1.962 0.100) 19.649 16.704 ( -0.381 4.095 0.341) 4.126 17.526 ( -0.619 6.300 0.789) 6.380 18.974 ( 11.155 8.605 20.464) 24.844 ======================= Grid point 21 (16/366) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( 0.000 15.728 0.000) 15.728 0.508 ( 0.000 19.204 0.000) 19.204 0.632 ( 0.000 25.329 0.000) 25.329 1.986 ( -0.000 -1.304 -0.000) 1.304 2.653 ( 0.000 8.906 0.000) 8.906 3.587 ( 0.000 1.580 0.000) 1.580 3.725 ( -0.000 -6.166 -0.000) 6.166 4.031 ( -0.000 -1.039 -0.000) 1.039 4.695 ( -0.000 -6.542 -0.000) 6.542 5.423 ( -0.000 -4.748 -0.000) 4.748 5.517 ( 0.000 1.410 0.000) 1.410 6.162 ( 0.000 2.948 0.000) 2.948 6.930 ( -0.000 -2.928 -0.000) 2.928 6.961 ( 0.000 1.917 0.000) 1.917 7.393 ( 0.000 0.259 0.000) 0.259 9.168 ( 0.000 2.647 0.000) 2.647 9.505 ( -0.000 -0.889 -0.000) 0.889 12.257 ( 0.000 3.674 0.000) 3.674 12.716 ( -0.000 -0.025 -0.000) 0.025 12.810 ( 0.000 0.932 0.000) 0.932 15.379 ( 0.000 3.620 0.000) 3.620 16.656 ( 0.000 3.210 0.000) 3.210 17.459 ( 0.000 4.608 0.000) 4.608 19.167 ( 0.000 0.091 0.000) 0.091 ======================= Grid point 24 (17/366) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 14.698 -0.000 12.354) 19.200 1.271 ( 10.880 -0.000 9.914) 14.719 1.850 ( -2.234 0.000 -0.492) 2.287 2.216 ( 9.444 -0.000 6.067) 11.225 3.227 ( 4.603 -0.000 -1.533) 4.851 3.359 ( 4.714 -0.000 -3.244) 5.723 3.524 ( 11.201 -0.000 -3.773) 11.819 4.054 ( 2.492 -0.000 4.491) 5.136 4.266 ( -1.417 0.000 10.790) 10.883 4.863 ( -11.097 0.000 -14.148) 17.981 5.233 ( -4.269 0.000 -7.853) 8.938 6.155 ( 2.787 -0.000 0.355) 2.809 6.639 ( 0.013 -0.000 -5.515) 5.515 7.219 ( -4.914 0.000 2.445) 5.489 7.403 ( 5.926 -0.000 1.030) 6.015 9.417 ( 6.026 -0.000 7.123) 9.330 9.711 ( -20.841 0.000 27.015) 34.120 12.438 ( 9.349 -0.000 -2.080) 9.577 12.742 ( -2.124 0.000 5.257) 5.670 12.813 ( -3.056 0.000 3.261) 4.469 16.640 ( 5.191 -0.000 -2.146) 5.617 16.736 ( 2.692 -0.000 -16.523) 16.741 17.602 ( 12.470 -0.000 8.402) 15.037 17.718 ( 15.646 -0.000 -9.261) 18.181 ======================= Grid point 25 (18/366) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 14.763 -0.585 12.091) 19.091 1.476 ( 7.530 -1.706 6.598) 10.156 1.827 ( -3.003 1.818 4.241) 5.506 2.296 ( 1.949 -1.205 -3.438) 4.131 3.198 ( 1.570 6.239 1.920) 6.714 3.353 ( 3.240 2.474 -2.717) 4.899 3.724 ( 10.608 -12.163 -9.037) 18.497 4.126 ( -0.136 -1.268 4.657) 4.828 4.391 ( 2.700 3.469 13.324) 14.030 4.614 ( -9.424 -3.230 -9.595) 13.832 5.096 ( -4.906 -0.758 -9.435) 10.661 6.199 ( 3.503 -1.157 -1.116) 3.854 6.599 ( -0.830 0.185 -1.199) 1.470 7.187 ( -4.284 0.482 3.315) 5.438 7.474 ( 4.620 -0.679 -0.516) 4.698 9.477 ( 1.515 8.040 6.598) 10.510 9.774 ( -7.150 -6.405 11.705) 15.138 12.524 ( 10.018 -0.948 -5.868) 11.648 12.767 ( -4.424 0.565 8.436) 9.543 12.805 ( -3.780 -0.345 3.597) 5.229 16.543 ( 1.547 8.502 -11.764) 14.597 16.700 ( 5.465 0.247 -1.787) 5.755 17.735 ( 13.223 5.607 1.239) 14.416 17.962 ( 11.234 -10.381 0.561) 15.306 ======================= Grid point 26 (19/366) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 9.899 -0.053 6.009) 11.580 1.640 ( 6.752 -2.071 6.784) 9.793 1.800 ( -3.358 5.863 7.757) 10.288 2.262 ( -3.801 -3.442 -5.440) 7.475 3.170 ( 3.601 6.135 0.629) 7.142 3.343 ( 0.698 0.037 -0.777) 1.045 3.836 ( 4.511 -8.925 -13.686) 16.950 4.147 ( -6.593 -0.099 2.562) 7.074 4.340 ( -1.256 0.308 -4.644) 4.820 4.701 ( 3.895 -2.625 11.279) 12.218 4.970 ( -3.170 -2.730 -7.472) 8.564 6.239 ( 3.398 -1.647 -3.178) 4.935 6.595 ( -0.932 0.190 2.872) 3.025 7.169 ( -3.419 0.740 4.111) 5.398 7.523 ( 2.875 -0.800 -0.701) 3.066 9.420 ( -0.846 9.619 4.244) 10.547 9.874 ( -0.400 -6.032 1.128) 6.150 12.589 ( 9.342 -1.199 -7.843) 12.257 12.776 ( -6.318 1.542 9.402) 11.432 12.801 ( -4.053 -0.807 4.042) 5.780 16.335 ( -1.266 8.371 -9.804) 12.953 16.753 ( 7.249 2.439 -0.139) 7.649 17.836 ( 9.758 2.398 -0.261) 10.052 18.198 ( 10.477 -2.964 4.827) 11.910 ======================= Grid point 27 (20/366) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 1.741 5.041 0.239) 5.339 1.666 ( -4.766 7.096 4.526) 9.673 1.864 ( 7.432 1.074 4.918) 8.976 2.214 ( -6.058 -5.093 -1.623) 8.079 3.131 ( 4.512 6.925 -2.345) 8.592 3.359 ( -2.040 -2.133 2.729) 4.020 3.806 ( 1.541 -4.688 -15.955) 16.701 4.026 ( -9.547 -0.907 -2.308) 9.864 4.385 ( 1.803 -3.701 2.698) 4.922 4.745 ( -1.827 -2.588 -6.048) 6.828 5.062 ( 6.409 -3.704 9.363) 11.935 6.258 ( 2.806 -1.562 -4.716) 5.706 6.623 ( -0.781 0.295 5.430) 5.494 7.164 ( -2.682 1.053 4.564) 5.397 7.548 ( 0.805 0.002 0.039) 0.806 9.320 ( -2.195 8.691 3.056) 9.470 9.918 ( 3.046 -4.063 -8.470) 9.875 12.630 ( 8.108 -0.828 -8.417) 11.717 12.754 ( -7.716 2.770 9.327) 12.418 12.803 ( -3.835 -0.708 4.385) 5.868 16.126 ( -3.254 7.032 -7.772) 10.974 16.809 ( 7.486 3.541 0.313) 8.287 17.889 ( 4.572 2.904 -0.687) 5.460 18.408 ( 12.443 1.190 8.512) 15.123 ======================= Grid point 28 (21/366) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -4.817 14.868 -1.460) 15.697 1.597 ( -2.841 4.896 -1.288) 5.805 1.906 ( -2.290 1.897 0.932) 3.116 2.200 ( -0.597 -0.101 -1.844) 1.941 3.089 ( 4.300 5.397 -0.322) 6.908 3.370 ( -4.686 -1.524 1.552) 5.166 3.714 ( 2.006 -1.938 -13.649) 13.931 3.943 ( -5.989 -4.004 -1.439) 7.347 4.426 ( -6.022 -2.823 0.895) 6.710 4.775 ( 4.657 -8.614 -2.954) 10.228 5.275 ( 6.560 -1.731 9.715) 11.849 6.259 ( 2.326 -1.113 -4.609) 5.281 6.667 ( -0.647 0.313 6.074) 6.116 7.160 ( -2.466 1.463 3.930) 4.865 7.540 ( -1.069 1.655 0.757) 2.110 9.227 ( -3.230 6.665 4.703) 8.773 9.882 ( 5.915 -2.317 -18.321) 19.391 12.635 ( 5.246 1.625 -7.582) 9.361 12.713 ( -6.683 2.184 8.103) 10.728 12.809 ( -3.048 0.100 4.766) 5.658 15.938 ( -4.701 5.097 -5.656) 8.948 16.849 ( 6.321 4.210 0.085) 7.595 17.866 ( 1.076 5.370 -0.130) 5.478 18.641 ( 13.231 2.033 10.916) 17.273 ======================= Grid point 29 (22/366) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -3.014 14.363 -4.318) 15.298 1.423 ( -5.807 9.374 -5.435) 12.294 1.793 ( -8.322 6.696 0.126) 10.682 2.142 ( 2.058 5.051 -4.816) 7.276 3.097 ( 5.770 6.453 1.486) 8.783 3.323 ( -6.401 -3.427 0.812) 7.306 3.664 ( 3.311 -0.925 -7.550) 8.296 3.937 ( -2.422 -5.004 -1.668) 5.804 4.375 ( -9.313 -5.363 0.603) 10.764 4.956 ( 5.630 -10.398 -0.034) 11.825 5.440 ( 4.735 0.017 7.709) 9.047 6.257 ( 1.942 -0.286 -2.899) 3.501 6.717 ( -0.270 -0.357 5.627) 5.645 7.137 ( -2.784 1.802 1.905) 3.825 7.501 ( -1.712 3.137 1.122) 3.746 9.181 ( -4.067 4.818 9.827) 11.676 9.770 ( 8.888 -1.355 -27.772) 29.191 12.566 ( -0.725 5.355 -2.236) 5.848 12.706 ( -1.356 0.042 2.386) 2.744 12.820 ( -1.571 1.020 4.828) 5.178 15.774 ( -6.062 3.865 -3.641) 8.058 16.857 ( 4.017 4.875 -0.182) 6.320 17.794 ( -0.148 7.141 0.484) 7.159 18.878 ( 11.387 2.225 11.593) 16.402 ======================= Grid point 30 (23/366) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -2.926 10.852 -4.782) 12.214 1.151 ( -2.936 13.964 -7.011) 15.899 1.547 ( -7.222 16.067 -1.791) 17.706 2.060 ( 0.563 4.953 -1.974) 5.361 3.034 ( 2.027 10.311 -1.767) 10.656 3.390 ( -1.583 -7.512 7.481) 10.720 3.648 ( 2.863 -0.448 -6.178) 6.823 3.957 ( -0.842 -3.784 -1.594) 4.192 4.377 ( -6.591 -9.149 2.304) 11.508 5.133 ( 2.956 -9.696 -0.202) 10.139 5.537 ( 2.458 1.221 4.681) 5.426 6.254 ( 1.110 0.997 -0.947) 1.767 6.781 ( 0.289 -1.871 4.521) 4.902 7.083 ( -2.720 2.297 -0.692) 3.627 7.454 ( -0.959 3.234 1.080) 3.541 9.206 ( -5.440 4.103 18.584) 19.793 9.604 ( 11.220 -1.132 -34.226) 36.036 12.465 ( -1.122 6.280 -0.832) 6.434 12.712 ( -0.253 -0.123 0.682) 0.737 12.837 ( -0.084 1.447 3.529) 3.816 15.621 ( -6.327 4.483 -1.778) 7.955 16.824 ( 1.463 5.468 -0.109) 5.661 17.704 ( -0.284 7.736 0.531) 7.759 19.074 ( 7.394 1.610 9.335) 12.017 ======================= Grid point 31 (24/366) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 0.000 11.613 0.000) 11.613 0.927 ( 0.000 15.351 0.000) 15.351 1.228 ( 0.000 23.067 0.000) 23.067 2.004 ( 0.000 3.064 0.000) 3.064 2.904 ( 0.000 10.838 0.000) 10.838 3.538 ( -0.000 -8.576 -0.000) 8.576 3.624 ( 0.000 0.960 0.000) 0.960 3.983 ( -0.000 -2.864 -0.000) 2.864 4.478 ( -0.000 -10.583 -0.000) 10.583 5.260 ( -0.000 -8.352 -0.000) 8.352 5.557 ( 0.000 1.675 0.000) 1.675 6.236 ( 0.000 2.412 0.000) 2.412 6.846 ( -0.000 -3.470 -0.000) 3.470 7.020 ( 0.000 2.899 0.000) 2.899 7.421 ( 0.000 2.186 0.000) 2.186 9.255 ( 0.000 4.269 0.000) 4.269 9.475 ( -0.000 -1.467 -0.000) 1.467 12.378 ( 0.000 5.926 0.000) 5.926 12.715 ( -0.000 -0.060 -0.000) 0.060 12.840 ( 0.000 1.405 0.000) 1.405 15.498 ( 0.000 5.743 0.000) 5.743 16.764 ( 0.000 5.356 0.000) 5.356 17.611 ( 0.000 7.390 0.000) 7.390 19.169 ( 0.000 0.056 0.000) 0.056 ======================= Grid point 36 (25/366) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 13.396 -0.000 9.907) 16.662 1.596 ( 5.017 -0.000 4.455) 6.709 1.882 ( -2.501 0.000 11.126) 11.404 2.216 ( -3.550 0.000 -8.641) 9.342 3.227 ( -4.001 0.000 4.641) 6.128 3.421 ( 6.339 -0.000 -4.918) 8.023 3.656 ( 8.024 -0.000 -12.257) 14.650 4.136 ( -5.135 0.000 2.689) 5.796 4.362 ( -5.608 0.000 -9.845) 11.331 4.658 ( 6.615 -0.000 15.865) 17.189 4.937 ( -4.210 0.000 -8.786) 9.743 6.217 ( 3.848 -0.000 -3.327) 5.087 6.597 ( -1.040 0.000 3.005) 3.180 7.179 ( -3.688 0.000 4.533) 5.844 7.512 ( 3.498 -0.000 -0.897) 3.611 9.607 ( 0.313 -0.000 3.647) 3.660 9.734 ( -2.216 0.000 3.031) 3.755 12.574 ( 9.874 -0.000 -7.697) 12.520 12.789 ( -4.708 0.000 4.682) 6.640 12.796 ( -5.985 0.000 9.675) 11.376 16.448 ( -3.234 0.000 -12.264) 12.683 16.788 ( 8.192 -0.000 -0.177) 8.194 17.897 ( 9.521 -0.000 -4.283) 10.439 18.128 ( 15.669 -0.000 9.818) 18.491 ======================= Grid point 37 (26/366) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 3.513 1.426 2.850) 4.743 1.787 ( 7.165 0.017 8.003) 10.741 1.941 ( -0.934 5.800 6.541) 8.792 2.090 ( -6.465 -4.844 -2.933) 8.594 3.230 ( -2.159 0.217 3.333) 3.977 3.395 ( 4.970 5.541 -5.002) 8.968 3.655 ( 3.732 -6.623 -13.495) 15.489 4.012 ( -11.830 -0.326 -3.377) 12.307 4.317 ( 2.685 -1.451 -0.122) 3.054 4.693 ( -5.777 -1.222 -8.896) 10.677 5.002 ( 8.740 -1.177 12.252) 15.096 6.225 ( 3.391 -0.846 -5.253) 6.310 6.629 ( -0.617 0.166 5.577) 5.614 7.186 ( -2.534 0.549 5.264) 5.868 7.544 ( 2.209 -0.180 0.018) 2.217 9.544 ( -2.217 8.596 1.298) 8.972 9.781 ( 0.900 -6.603 -4.608) 8.102 12.615 ( 9.077 -0.292 -8.103) 12.171 12.785 ( -4.611 -0.367 5.735) 7.368 12.804 ( -6.817 0.959 9.444) 11.687 16.266 ( -4.275 3.341 -10.816) 12.101 16.878 ( 7.961 1.679 0.368) 8.145 17.951 ( 6.708 1.802 -2.158) 7.273 18.420 ( 15.279 -0.109 9.561) 18.024 ======================= Grid point 38 (27/366) ======================= q-point: (-0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -5.133 2.444 -2.041) 6.040 1.724 ( -2.975 7.965 -4.163) 9.467 1.947 ( 0.901 1.199 6.432) 6.605 2.169 ( 2.352 -1.651 7.063) 7.625 3.200 ( 0.319 2.440 -3.607) 4.366 3.361 ( 1.456 2.098 -0.405) 2.585 3.635 ( 1.875 -4.360 -10.602) 11.616 3.863 ( -9.582 -2.316 -2.275) 10.117 4.370 ( -1.612 -1.287 -0.509) 2.124 4.581 ( -1.526 -6.520 -7.660) 10.174 5.243 ( 8.492 -0.877 11.314) 14.174 6.222 ( 2.754 -1.495 -5.726) 6.527 6.678 ( -0.227 0.433 5.810) 5.831 7.200 ( -1.696 1.444 5.072) 5.539 7.566 ( 0.724 0.579 1.176) 1.497 9.415 ( -3.434 8.092 1.607) 8.936 9.791 ( 1.899 -4.964 -11.882) 13.017 12.645 ( 8.314 0.004 -8.081) 11.594 12.777 ( -7.206 1.987 8.240) 11.125 12.807 ( -3.865 -0.041 7.016) 8.011 16.067 ( -4.514 4.472 -8.671) 10.750 16.943 ( 6.789 3.063 0.245) 7.452 17.971 ( 3.679 3.129 -0.903) 4.913 18.683 ( 14.177 1.321 9.535) 17.137 ======================= Grid point 39 (28/366) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -12.303 4.317 -12.004) 17.723 1.632 ( -0.127 8.082 -2.026) 8.333 1.976 ( -2.063 7.370 11.451) 13.773 2.237 ( 4.075 2.342 -1.657) 4.984 3.161 ( 0.568 -0.860 -1.301) 1.660 3.329 ( 1.236 3.638 -2.885) 4.805 3.622 ( 0.589 -2.297 -3.990) 4.641 3.807 ( -4.303 -5.144 -0.752) 6.748 4.269 ( -9.344 -2.492 -5.654) 11.203 4.694 ( 4.640 -10.450 -0.573) 11.448 5.436 ( 6.151 -0.245 8.452) 10.456 6.224 ( 2.255 -1.966 -4.384) 5.308 6.721 ( -0.062 0.491 4.548) 4.575 7.198 ( -1.580 2.695 3.659) 4.811 7.566 ( -0.425 2.063 1.539) 2.608 9.316 ( -3.876 5.943 5.907) 9.233 9.720 ( 3.009 -2.760 -18.611) 19.054 12.657 ( 7.594 1.634 -8.290) 11.361 12.733 ( -8.154 2.494 8.801) 12.254 12.836 ( -1.698 0.200 5.793) 6.041 15.887 ( -4.085 4.591 -5.922) 8.535 16.971 ( 4.911 4.148 -0.145) 6.430 17.946 ( 1.441 5.039 -0.118) 5.243 18.916 ( 11.666 1.185 8.765) 14.640 ======================= Grid point 40 (29/366) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -9.140 3.295 -10.657) 14.421 1.471 ( -1.115 11.991 -2.986) 12.408 1.923 ( -1.945 13.806 8.504) 16.331 2.191 ( 2.421 5.038 -4.553) 7.209 3.207 ( -2.504 -5.937 -0.165) 6.445 3.272 ( 5.438 7.697 1.103) 9.488 3.613 ( -0.760 -2.404 -3.379) 4.216 3.851 ( 0.239 -4.608 0.235) 4.620 4.163 ( -8.493 -7.205 -3.338) 11.627 4.875 ( 2.956 -10.970 0.123) 11.362 5.557 ( 3.119 0.435 4.782) 5.726 6.239 ( 1.403 -1.879 -2.095) 3.145 6.754 ( 0.087 -0.244 2.744) 2.756 7.163 ( -1.492 3.872 1.497) 4.412 7.538 ( -0.602 3.291 1.025) 3.499 9.303 ( -3.987 3.702 13.958) 14.981 9.581 ( 4.426 -0.791 -23.460) 23.887 12.612 ( 1.434 5.418 -2.718) 6.229 12.712 ( -2.292 0.176 2.948) 3.738 12.866 ( -0.316 0.740 3.640) 3.728 15.743 ( -2.919 4.953 -2.887) 6.433 16.957 ( 2.457 5.104 -0.250) 5.670 17.885 ( 0.335 6.638 0.199) 6.650 19.095 ( 6.870 0.420 5.974) 9.113 ======================= Grid point 41 (30/366) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 0.000 4.485 0.000) 4.485 1.284 ( 0.000 13.895 0.000) 13.895 1.746 ( 0.000 18.832 0.000) 18.832 2.117 ( 0.000 5.416 0.000) 5.416 3.153 ( 0.000 8.085 0.000) 8.085 3.338 ( -0.000 -6.152 -0.000) 6.152 3.615 ( -0.000 -1.932 -0.000) 1.932 3.901 ( -0.000 -3.470 -0.000) 3.470 4.208 ( -0.000 -10.746 -0.000) 10.746 5.026 ( -0.000 -10.487 -0.000) 10.487 5.591 ( 0.000 0.959 0.000) 0.959 6.256 ( -0.000 -0.847 -0.000) 0.847 6.781 ( -0.000 -1.585 -0.000) 1.585 7.107 ( 0.000 4.203 0.000) 4.203 7.496 ( 0.000 3.578 0.000) 3.578 9.366 ( 0.000 4.489 0.000) 4.489 9.437 ( -0.000 -1.536 -0.000) 1.536 12.532 ( 0.000 6.329 0.000) 6.329 12.713 ( -0.000 -0.092 -0.000) 0.092 12.872 ( 0.000 1.107 0.000) 1.107 15.643 ( 0.000 5.774 0.000) 5.774 16.904 ( 0.000 5.738 0.000) 5.738 17.800 ( 0.000 7.554 0.000) 7.554 19.169 ( -0.000 -0.070 -0.000) 0.070 ======================= Grid point 48 (31/366) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -5.592 0.000 -2.989) 6.341 1.825 ( -5.043 0.000 -8.111) 9.551 1.955 ( 5.118 -0.000 9.559) 10.842 2.151 ( 2.536 -0.000 12.498) 12.752 3.213 ( -2.416 0.000 -1.850) 3.043 3.439 ( 3.977 -0.000 -6.540) 7.654 3.543 ( 3.304 -0.000 -6.661) 7.435 3.834 ( -11.285 0.000 -2.661) 11.595 4.360 ( 4.077 -0.000 1.775) 4.447 4.492 ( -7.767 0.000 -11.678) 14.025 5.232 ( 9.148 -0.000 11.671) 14.829 6.201 ( 2.799 -0.000 -6.014) 6.634 6.684 ( 0.001 -0.000 5.739) 5.739 7.219 ( -1.253 0.000 5.314) 5.460 7.573 ( 1.447 -0.000 1.406) 2.017 9.568 ( -5.060 0.000 -0.798) 5.123 9.678 ( 2.156 -0.000 -8.698) 8.961 12.645 ( 8.679 -0.000 -7.837) 11.693 12.792 ( -3.723 0.000 6.674) 7.642 12.815 ( -7.023 0.000 9.003) 11.418 16.126 ( -4.891 0.000 -9.886) 11.030 16.983 ( 6.588 -0.000 0.447) 6.603 18.011 ( 4.409 -0.000 -1.430) 4.635 18.700 ( 14.613 -0.000 9.230) 17.283 ======================= Grid point 49 (32/366) ======================= q-point: (-0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -15.404 0.275 -14.064) 20.860 1.794 ( 2.026 4.195 0.252) 4.665 2.091 ( 1.978 1.524 11.152) 11.428 2.273 ( 3.283 1.032 5.333) 6.347 3.136 ( -1.941 -0.630 -7.241) 7.523 3.409 ( 3.682 1.948 -4.248) 5.949 3.579 ( 2.204 -0.744 1.817) 2.952 3.705 ( -7.978 -2.714 -1.156) 8.505 4.265 ( -7.868 1.694 -10.013) 12.847 4.474 ( 3.643 -6.444 0.622) 7.429 5.431 ( 6.947 -0.111 8.565) 11.029 6.183 ( 2.155 -1.005 -4.961) 5.502 6.733 ( 0.291 0.333 4.187) 4.211 7.249 ( -0.557 1.164 4.190) 4.384 7.599 ( 0.550 0.689 2.043) 2.225 9.454 ( -4.630 4.639 -0.187) 6.557 9.639 ( 1.202 -3.351 -11.003) 11.564 12.673 ( 7.950 0.208 -7.211) 10.735 12.795 ( -6.319 2.037 7.636) 10.119 12.829 ( -2.896 -0.763 6.568) 7.219 15.971 ( -4.215 1.896 -7.440) 8.759 17.045 ( 4.665 1.626 0.193) 4.944 18.032 ( 2.459 1.839 -0.616) 3.132 18.938 ( 11.362 0.512 7.435) 13.588 ======================= Grid point 50 (33/366) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -11.638 0.071 -11.784) 16.563 1.728 ( 0.497 8.600 -0.684) 8.641 2.173 ( -0.753 5.295 12.192) 13.313 2.291 ( 3.383 3.560 -4.321) 6.541 3.084 ( -1.253 -3.397 -3.566) 5.082 3.412 ( 5.809 2.331 -1.556) 6.450 3.563 ( -5.730 -0.510 0.115) 5.753 3.745 ( 2.921 -3.629 4.197) 6.270 4.061 ( -8.750 -1.002 -8.989) 12.585 4.620 ( 2.689 -9.158 0.642) 9.566 5.562 ( 3.654 0.074 4.690) 5.946 6.186 ( 1.327 -1.989 -2.623) 3.549 6.761 ( 0.196 0.549 2.164) 2.241 7.250 ( -0.471 2.791 2.179) 3.572 7.603 ( -0.030 1.925 1.360) 2.357 9.380 ( -3.454 2.445 5.129) 6.649 9.563 ( 1.497 -0.625 -12.798) 12.900 12.693 ( 7.723 0.745 -7.255) 10.622 12.750 ( -7.564 3.322 7.672) 11.274 12.868 ( -0.764 -0.566 3.768) 3.886 15.844 ( -2.470 3.003 -3.856) 5.476 17.060 ( 2.484 3.054 -0.060) 3.937 18.015 ( 0.936 3.754 -0.123) 3.871 19.102 ( 6.455 0.204 4.518) 7.882 ======================= Grid point 51 (34/366) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 0.000 0.450 0.000) 0.450 1.599 ( 0.000 11.481 0.000) 11.481 2.134 ( 0.000 12.452 0.000) 12.452 2.230 ( 0.000 3.135 0.000) 3.135 3.118 ( -0.000 -5.551 -0.000) 5.551 3.415 ( 0.000 6.620 0.000) 6.620 3.535 ( -0.000 -4.113 -0.000) 4.113 3.839 ( -0.000 -0.825 -0.000) 0.825 3.981 ( -0.000 -7.342 -0.000) 7.342 4.762 ( -0.000 -10.558 -0.000) 10.558 5.605 ( 0.000 0.296 0.000) 0.296 6.210 ( -0.000 -2.429 -0.000) 2.429 6.767 ( 0.000 0.264 0.000) 0.264 7.214 ( 0.000 4.061 0.000) 4.061 7.579 ( 0.000 2.941 0.000) 2.941 9.404 ( -0.000 -1.128 -0.000) 1.128 9.464 ( 0.000 3.369 0.000) 3.369 12.677 ( 0.000 5.320 0.000) 5.320 12.711 ( -0.000 -0.087 -0.000) 0.087 12.887 ( 0.000 0.015 0.000) 0.015 15.767 ( 0.000 4.089 0.000) 4.089 17.030 ( 0.000 4.298 0.000) 4.298 17.963 ( 0.000 5.443 0.000) 5.443 19.166 ( -0.000 -0.139 -0.000) 0.139 ======================= Grid point 60 (35/366) ======================= q-point: (-0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -12.311 0.000 -11.762) 17.026 1.848 ( 1.277 -0.000 0.319) 1.316 2.209 ( 1.231 -0.000 7.205) 7.309 2.351 ( 1.755 -0.000 2.013) 2.671 3.044 ( -1.174 0.000 -5.482) 5.607 3.420 ( 3.302 -0.000 -2.733) 4.286 3.574 ( -7.154 0.000 -0.766) 7.195 3.695 ( 5.686 -0.000 8.214) 9.990 4.069 ( -7.916 0.000 -11.393) 13.873 4.488 ( 2.462 -0.000 1.304) 2.787 5.563 ( 3.847 -0.000 4.636) 6.024 6.159 ( 1.253 -0.000 -2.770) 3.040 6.769 ( 0.316 -0.000 2.053) 2.077 7.286 ( -0.052 0.000 2.332) 2.332 7.628 ( 0.221 -0.000 1.537) 1.553 9.413 ( -3.562 0.000 -1.514) 3.870 9.554 ( 0.859 -0.000 -5.799) 5.862 12.699 ( 5.370 -0.000 -4.781) 7.189 12.809 ( -4.720 0.000 5.403) 7.175 12.847 ( -0.980 0.000 3.691) 3.819 15.882 ( -2.546 0.000 -4.266) 4.968 17.099 ( 2.332 -0.000 0.089) 2.334 18.061 ( 1.171 -0.000 -0.267) 1.201 19.105 ( 6.183 -0.000 4.033) 7.382 ======================= Grid point 62 (36/366) ======================= q-point: (-0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -0.000 -0.353 -0.000) 0.353 1.821 ( 0.000 5.664 0.000) 5.664 2.258 ( -0.000 -0.360 -0.000) 0.360 2.342 ( 0.000 4.353 0.000) 4.353 3.021 ( -0.000 -2.001 -0.000) 2.001 3.450 ( -0.000 -2.103 -0.000) 2.103 3.509 ( 0.000 1.271 0.000) 1.271 3.858 ( -0.000 -2.580 -0.000) 2.580 3.875 ( 0.000 2.539 0.000) 2.539 4.547 ( -0.000 -5.733 -0.000) 5.733 5.609 ( 0.000 0.058 0.000) 0.058 6.161 ( -0.000 -1.184 -0.000) 1.184 6.779 ( 0.000 0.389 0.000) 0.389 7.287 ( 0.000 1.648 0.000) 1.648 7.630 ( 0.000 1.091 0.000) 1.091 9.385 ( -0.000 -0.412 -0.000) 0.412 9.522 ( 0.000 1.248 0.000) 1.248 12.709 ( -0.000 -0.035 -0.000) 0.035 12.784 ( 0.000 3.135 0.000) 3.135 12.871 ( -0.000 -1.217 -0.000) 1.217 15.836 ( 0.000 1.456 0.000) 1.456 17.104 ( 0.000 1.580 0.000) 1.580 18.055 ( 0.000 1.960 0.000) 1.960 19.163 ( -0.000 -0.070 -0.000) 0.070 ======================= Grid point 123 (37/366) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( -4.373 0.000 19.084) 19.579 0.605 ( 4.616 -0.000 28.590) 28.961 1.115 ( -6.297 0.000 50.391) 50.783 2.064 ( -8.391 0.000 4.065) 9.324 2.572 ( -7.250 0.000 0.347) 7.258 3.278 ( 2.282 -0.000 -3.438) 4.126 3.481 ( 3.917 -0.000 -7.851) 8.774 3.806 ( 3.036 -0.000 -0.143) 3.039 4.121 ( 5.468 -0.000 2.711) 6.103 5.463 ( -5.123 0.000 -1.917) 5.470 5.479 ( -2.481 0.000 -1.821) 3.078 6.078 ( 1.421 -0.000 -4.343) 4.570 6.796 ( -8.730 0.000 -8.543) 12.214 7.249 ( -5.250 0.000 13.493) 14.479 7.399 ( -1.080 0.000 0.788) 1.337 8.904 ( 7.692 -0.000 0.083) 7.693 12.000 ( 10.856 -0.000 -10.136) 14.852 12.660 ( -6.728 0.000 -12.114) 13.857 12.829 ( -7.363 0.000 8.687) 11.388 15.046 ( 82.799 -0.000 1.970) 82.822 15.705 (-268.453 0.000 3.757) 268.480 16.622 ( -2.643 0.000 0.629) 2.717 17.098 ( 3.371 -0.000 1.568) 3.718 17.385 ( -0.491 0.000 -1.531) 1.608 ======================= Grid point 124 (38/366) ======================= q-point: ( 0.09 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( -0.067 -0.585 21.312) 21.320 0.960 ( 0.442 -6.965 26.913) 27.804 1.579 ( 8.463 -0.256 35.774) 36.762 1.989 ( -6.986 -0.137 1.991) 7.266 2.671 ( 8.732 -3.089 4.135) 10.144 3.296 ( 3.377 -1.498 -7.063) 7.971 3.528 ( 3.550 -12.436 -9.098) 15.812 3.880 ( 6.346 -3.016 0.428) 7.039 4.195 ( 4.034 1.359 2.025) 4.714 5.313 ( -7.556 3.226 -6.368) 10.395 5.438 ( -4.684 -2.829 -3.252) 6.365 6.070 ( 2.901 -1.930 -5.135) 6.206 6.664 ( -1.890 -0.251 -6.104) 6.395 7.285 ( -3.773 3.505 9.507) 10.812 7.394 ( -4.486 -2.113 3.577) 6.114 9.031 ( 10.355 1.036 2.943) 10.815 11.936 ( -61.749 20.923 17.261) 67.444 12.118 ( -20.474 -1.048 -3.015) 20.721 12.833 ( -6.412 0.096 9.812) 11.721 13.228 ( -73.517 27.992 52.225) 94.423 15.781 ( 46.446 18.631 -6.106) 50.415 16.620 ( -0.460 -2.603 -0.481) 2.686 17.379 ( 0.094 -3.197 -2.369) 3.980 17.587 ( -0.134 -47.423 -14.527) 49.599 ======================= Grid point 125 (39/366) ======================= q-point: ( 0.18 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 2.640 -2.016 22.179) 22.426 1.282 ( -1.467 -6.368 23.551) 24.441 1.864 ( -0.192 2.149 8.057) 8.340 2.041 ( 6.268 -3.850 10.414) 12.749 2.828 ( 6.228 -0.409 2.866) 6.868 3.295 ( 4.553 0.356 -3.027) 5.479 3.650 ( 4.481 -11.937 -6.675) 14.392 4.032 ( 8.250 -6.966 -1.844) 10.954 4.231 ( 1.221 2.939 5.284) 6.169 5.097 ( -8.998 2.416 -9.397) 13.233 5.364 ( -6.524 -2.360 -4.655) 8.355 6.095 ( 4.463 -3.134 -5.688) 7.880 6.619 ( 0.294 -0.254 -2.826) 2.852 7.264 ( -2.185 3.951 4.173) 6.148 7.421 ( -4.295 -2.489 7.083) 8.649 9.160 ( 9.022 3.670 4.244) 10.625 11.002 ( -73.304 13.392 38.222) 83.748 12.169 ( 12.351 -3.356 -9.113) 15.712 12.858 ( -5.731 0.496 11.271) 12.654 12.955 ( -14.013 7.268 17.945) 23.900 15.951 ( 23.723 13.921 -2.080) 27.584 16.655 ( 0.592 -3.202 -0.898) 3.378 17.421 ( 2.627 -4.975 -2.290) 6.074 17.914 ( 2.195 -27.341 -13.411) 30.532 ======================= Grid point 126 (40/366) ======================= q-point: ( 0.27 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 5.966 -3.075 20.566) 21.633 1.527 ( -2.551 -4.505 18.188) 18.911 1.862 ( -4.076 0.301 2.871) 4.994 2.247 ( 7.285 -2.484 3.950) 8.651 2.887 ( 4.001 1.253 -1.039) 4.320 3.333 ( 3.549 0.138 0.157) 3.556 3.799 ( 7.002 -9.204 -5.334) 12.735 4.158 ( 3.726 -2.907 -1.895) 5.092 4.300 ( 1.723 -0.021 10.373) 10.515 4.872 ( -8.081 1.106 -9.802) 12.752 5.251 ( -7.453 -1.664 -5.430) 9.370 6.138 ( 5.485 -3.578 -6.799) 9.440 6.614 ( -0.575 0.161 1.977) 2.066 7.229 ( -1.835 3.247 3.243) 4.942 7.480 ( -2.306 -2.683 6.428) 7.337 9.233 ( 5.231 5.851 4.960) 9.284 10.510 ( -42.885 4.138 23.767) 49.205 12.280 ( 12.284 -3.683 -8.463) 15.365 12.891 ( -5.550 1.338 11.504) 12.843 12.910 ( -6.495 3.318 10.360) 12.670 16.016 ( 12.574 8.893 -0.362) 15.405 16.678 ( -1.348 -2.471 -0.778) 2.920 17.522 ( 5.565 -6.111 -1.435) 8.389 18.076 ( 2.151 -13.665 -9.616) 16.847 ======================= Grid point 127 (41/366) ======================= q-point: ( 0.36 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 7.511 -2.749 16.303) 18.159 1.682 ( -3.593 -2.268 12.980) 13.658 1.795 ( -7.333 3.057 0.511) 7.961 2.359 ( 4.076 -2.228 -0.791) 4.712 2.904 ( 2.932 0.456 -1.287) 3.234 3.376 ( 2.886 -0.062 1.154) 3.109 3.900 ( 4.938 -6.224 -10.247) 12.966 4.209 ( 0.698 0.211 5.969) 6.013 4.386 ( -2.692 -0.680 3.299) 4.312 4.728 ( -0.591 -0.066 -5.910) 5.939 5.142 ( -6.214 -2.158 -2.559) 7.059 6.177 ( 5.707 -3.148 -8.171) 10.452 6.638 ( -1.916 0.417 6.853) 7.128 7.205 ( -1.564 2.596 3.430) 4.577 7.547 ( -1.860 -2.568 5.519) 6.365 9.248 ( 1.132 5.929 5.658) 8.273 10.244 ( -24.758 1.311 10.591) 26.961 12.386 ( 10.556 -3.428 -7.978) 13.669 12.895 ( -4.342 2.639 7.551) 9.101 12.910 ( -6.100 1.449 10.143) 11.925 16.045 ( 5.451 4.067 0.523) 6.821 16.672 ( -2.457 -1.515 -0.059) 2.887 17.665 ( 6.575 -5.650 -0.536) 8.685 18.136 ( 1.915 -4.748 -4.955) 7.124 ======================= Grid point 128 (42/366) ======================= q-point: (-0.55 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -11.525 7.462 -2.944) 14.042 1.621 ( 5.026 -0.790 9.781) 11.026 1.756 ( -3.831 0.636 11.092) 11.752 2.380 ( 0.196 -1.000 -4.741) 4.849 2.925 ( 1.081 -0.780 -0.148) 1.341 3.429 ( 2.570 0.066 2.706) 3.733 3.865 ( -0.737 -3.470 -13.913) 14.358 4.232 ( -6.739 0.778 2.701) 7.301 4.404 ( 3.551 -2.403 3.007) 5.237 4.694 ( 3.567 1.340 -5.315) 6.539 5.147 ( -1.310 -3.668 5.544) 6.776 6.193 ( 5.248 -1.956 -8.946) 10.555 6.687 ( -3.105 0.468 10.465) 10.926 7.193 ( -1.181 2.031 3.382) 4.118 7.594 ( -3.205 -1.413 5.086) 6.175 9.239 ( -1.958 4.109 6.738) 8.131 10.042 ( -14.824 1.944 0.367) 14.955 12.455 ( 8.142 -2.087 -9.017) 12.327 12.877 ( -5.211 2.697 7.551) 9.563 12.908 ( -5.485 1.416 7.707) 9.565 16.063 ( -1.078 -1.364 1.115) 2.065 16.668 ( -0.990 -0.720 1.204) 1.717 17.772 ( 2.996 -1.835 -1.230) 3.722 18.189 ( 5.284 -1.333 1.827) 5.748 ======================= Grid point 129 (43/366) ======================= q-point: (-0.45 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -13.176 11.464 -5.717) 18.377 1.665 ( -8.426 2.711 6.652) 11.072 1.844 ( 1.899 1.387 11.201) 11.445 2.286 ( -4.794 0.394 -10.344) 11.407 2.934 ( -0.727 -0.228 -0.305) 0.821 3.483 ( 1.329 1.123 4.711) 5.022 3.722 ( -3.372 -2.581 -16.019) 16.572 4.143 ( -5.327 -0.200 -2.555) 5.911 4.486 ( 3.092 2.292 0.098) 3.850 4.760 ( 8.072 -4.885 3.504) 10.065 5.263 ( 1.565 -2.408 8.287) 8.770 6.182 ( 4.612 -0.348 -8.275) 9.479 6.750 ( -4.040 0.169 12.286) 12.934 7.190 ( -0.904 1.391 2.753) 3.214 7.595 ( -5.357 0.503 4.760) 7.184 9.239 ( -4.001 2.104 8.983) 10.056 9.828 ( -9.860 3.504 -6.780) 12.468 12.448 ( 5.726 0.670 -11.862) 13.189 12.857 ( -5.746 1.990 8.578) 10.515 12.892 ( -5.318 1.413 6.294) 8.361 16.076 ( -7.201 -6.965 1.773) 10.174 16.691 ( 0.759 -0.287 2.201) 2.346 17.751 ( -1.349 3.467 -1.567) 4.036 18.344 ( 9.215 -0.275 8.336) 12.429 ======================= Grid point 130 (44/366) ======================= q-point: (-0.36 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -13.454 12.007 -3.953) 18.461 1.521 ( -16.091 6.604 7.065) 18.774 1.933 ( -4.950 1.448 8.802) 10.202 2.054 ( -6.510 2.478 -14.834) 16.388 2.900 ( -2.238 1.225 -1.598) 3.010 3.523 ( 1.160 3.195 5.486) 6.454 3.585 ( -1.673 -4.741 -12.720) 13.677 4.067 ( -1.240 -0.329 -5.630) 5.774 4.464 ( 3.764 3.985 -3.462) 6.483 5.008 ( 7.816 -7.421 8.161) 13.519 5.382 ( 2.040 -0.486 7.546) 7.832 6.160 ( 4.206 1.311 -5.989) 7.435 6.823 ( -4.310 -0.740 12.821) 13.546 7.188 ( -1.351 0.326 1.735) 2.223 7.548 ( -6.748 2.181 4.741) 8.531 9.268 ( -3.941 1.735 12.090) 12.834 9.589 ( -9.483 4.343 -7.303) 12.733 12.355 ( 4.354 3.501 -13.989) 15.063 12.852 ( -3.874 1.343 5.849) 7.143 12.870 ( -7.035 0.945 8.456) 11.040 16.094 ( -12.843 -12.278 2.740) 17.978 16.725 ( 0.367 -0.058 2.459) 2.486 17.656 ( -2.192 5.917 -0.552) 6.334 18.548 ( 9.670 3.751 13.387) 16.934 ======================= Grid point 131 (45/366) ======================= q-point: (-0.27 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -12.035 10.472 2.045) 16.083 1.256 ( -22.591 8.319 5.899) 24.786 1.604 ( -20.200 8.155 -13.720) 25.744 2.043 ( -1.438 0.216 8.408) 8.533 2.832 ( -3.538 0.204 -2.282) 4.215 3.516 ( 4.750 0.980 -6.333) 7.977 3.592 ( -0.289 -3.373 3.023) 4.538 4.008 ( 1.949 0.907 -6.915) 7.241 4.410 ( 6.778 5.320 -10.595) 13.657 5.250 ( 4.525 -6.753 7.277) 10.911 5.467 ( 1.597 0.638 5.568) 5.827 6.141 ( 3.740 2.525 -2.929) 5.380 6.914 ( -3.761 -1.975 12.757) 13.446 7.177 ( -4.150 -1.484 1.045) 4.529 7.485 ( -5.146 2.809 4.392) 7.325 9.248 ( 4.076 6.186 -16.758) 18.322 9.485 ( -19.123 -0.139 42.455) 46.563 12.219 ( 4.956 4.855 -14.253) 15.852 12.833 ( -2.150 1.212 1.782) 3.044 12.866 ( -8.188 0.362 10.688) 13.469 16.118 ( -19.679 -18.765 4.191) 27.513 16.738 ( -1.995 0.428 2.337) 3.102 17.555 ( -1.542 6.184 0.240) 6.378 18.742 ( 9.702 8.900 18.878) 23.015 ======================= Grid point 132 (46/366) ======================= q-point: (-0.18 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -8.821 9.221 11.361) 17.086 0.867 ( -26.085 7.432 -6.264) 27.837 1.134 ( -25.879 14.720 10.398) 31.536 2.093 ( -4.990 -0.935 8.671) 10.047 2.781 ( -5.939 -4.966 -2.152) 8.035 3.505 ( 4.809 0.265 -7.156) 8.626 3.680 ( 4.825 -1.683 1.938) 5.465 3.955 ( 7.027 5.011 -8.993) 12.465 4.249 ( 7.383 9.914 -23.885) 26.894 5.415 ( 1.433 -4.885 4.327) 6.681 5.512 ( 0.388 0.749 3.207) 3.316 6.130 ( 2.587 2.729 -1.031) 3.899 7.027 ( -2.956 -3.086 12.679) 13.379 7.138 ( -9.540 -4.457 -0.080) 10.530 7.438 ( -0.464 3.431 0.221) 3.469 9.020 ( 0.641 5.729 -15.533) 16.568 10.038 ( -11.854 -14.418 108.607) 110.199 12.100 ( 7.424 4.886 -12.431) 15.282 12.810 ( -1.168 0.559 -0.074) 1.297 12.860 ( -8.176 0.473 9.717) 12.708 16.165 ( -31.281 -31.601 6.883) 44.994 16.711 ( -4.355 0.904 2.177) 4.952 17.475 ( -0.843 4.910 0.229) 4.987 18.954 ( 12.017 9.797 21.872) 26.810 ======================= Grid point 133 (47/366) ======================= q-point: (-0.09 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( -8.254 10.108 13.022) 18.435 0.430 ( -14.166 9.320 12.784) 21.236 0.905 ( -25.768 8.146 39.777) 48.089 2.103 ( -7.346 -0.737 6.666) 9.946 2.745 ( -12.461 -10.855 -6.858) 17.892 3.461 ( 3.378 3.062 -13.306) 14.065 3.657 ( 16.166 29.796 -27.162) 43.438 3.787 ( -0.478 -0.197 -2.616) 2.666 4.047 ( -0.662 0.256 1.762) 1.900 5.480 ( -1.274 -2.643 -0.210) 2.941 5.523 ( -1.318 0.856 1.905) 2.469 6.110 ( 1.260 1.945 -2.259) 3.236 7.012 ( -12.946 -3.269 -8.667) 15.919 7.154 ( -3.412 -3.136 12.743) 13.560 7.402 ( 1.489 2.980 0.467) 3.364 8.878 ( 2.349 2.258 -5.928) 6.764 11.897 ( 15.094 -28.049 32.639) 45.606 12.328 ( 54.092 -47.072 101.680) 124.421 12.804 ( 0.390 -4.102 7.048) 8.164 12.854 ( -4.772 -0.840 13.674) 14.507 16.300 ( -60.441 -70.092 10.741) 93.174 16.661 ( -4.908 0.599 1.627) 5.205 17.418 ( -0.627 2.688 -0.557) 2.816 18.993 ( -15.733 13.793 -32.713) 38.832 ======================= Grid point 135 (48/366) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 3.317 -0.000 22.160) 22.407 1.187 ( 0.229 -0.000 26.412) 26.413 1.919 ( -5.237 0.000 0.831) 5.303 1.974 ( 8.576 -0.000 20.697) 22.403 2.883 ( 16.159 -0.000 5.926) 17.211 3.271 ( 2.750 -0.000 -3.733) 4.637 3.418 ( 2.562 -0.000 -5.531) 6.096 3.949 ( 5.963 -0.000 2.119) 6.328 4.270 ( 2.447 -0.000 4.123) 4.795 5.137 ( -12.416 0.000 -8.389) 14.985 5.317 ( -3.919 0.000 -6.694) 7.757 6.054 ( 4.855 -0.000 -5.679) 7.472 6.616 ( 0.970 -0.000 -3.021) 3.173 7.340 ( -4.524 0.000 1.937) 4.921 7.366 ( -3.137 0.000 9.433) 9.941 9.213 ( 11.339 -0.000 4.138) 12.071 11.192 ( -90.527 0.000 34.743) 96.965 12.125 ( 13.702 -0.000 -9.039) 16.415 12.863 ( -5.543 0.000 11.290) 12.577 13.083 ( -31.163 0.000 25.673) 40.376 16.334 ( 32.515 -0.000 -18.253) 37.288 16.575 ( -0.147 0.000 -0.970) 0.981 17.336 ( 10.115 -0.000 5.251) 11.397 17.388 ( 6.741 -0.000 -3.791) 7.734 ======================= Grid point 136 (49/366) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 5.359 -0.175 22.013) 22.657 1.437 ( -1.705 -2.334 22.697) 22.881 1.883 ( -2.448 0.807 2.830) 3.828 2.188 ( 5.463 -1.569 4.963) 7.546 3.029 ( 10.048 10.171 2.572) 14.527 3.323 ( 2.418 -2.367 1.252) 3.607 3.489 ( 6.352 -12.882 -6.653) 15.829 4.059 ( 5.510 -2.708 1.881) 6.421 4.349 ( 2.840 1.853 8.574) 9.220 4.886 ( -12.974 0.157 -9.473) 16.065 5.201 ( -5.197 -1.589 -8.259) 9.887 6.072 ( 6.123 -1.507 -6.691) 9.194 6.618 ( 0.232 0.132 1.818) 1.838 7.295 ( -3.982 1.766 2.872) 5.217 7.426 ( -1.655 -1.446 6.525) 6.885 9.361 ( 9.169 3.331 3.950) 10.524 10.582 ( -57.909 1.535 27.878) 64.289 12.216 ( 13.367 -1.389 -8.533) 15.919 12.909 ( -5.424 0.364 11.994) 13.168 12.990 ( -14.418 2.184 14.414) 20.504 16.340 ( 15.155 14.485 -9.008) 22.817 16.617 ( 2.265 -3.373 -2.489) 4.764 17.436 ( 9.411 0.347 -1.187) 9.492 17.668 ( 11.905 -16.503 -0.831) 20.366 ======================= Grid point 137 (50/366) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 6.813 -1.215 19.571) 20.758 1.626 ( -3.427 -1.872 17.581) 18.010 1.877 ( -2.133 3.059 4.765) 6.051 2.274 ( 1.893 -3.615 -1.685) 4.415 3.013 ( 7.606 8.324 -2.064) 11.463 3.368 ( -0.665 -0.491 3.764) 3.854 3.668 ( 6.986 -12.502 -10.377) 17.686 4.169 ( 3.621 -2.893 2.021) 5.056 4.430 ( -1.487 4.125 7.243) 8.467 4.693 ( -5.043 -2.845 -4.725) 7.473 5.075 ( -6.193 -2.538 -7.517) 10.065 6.105 ( 6.692 -2.390 -8.053) 10.740 6.649 ( -1.787 0.408 7.055) 7.289 7.259 ( -3.284 1.664 3.212) 4.885 7.488 ( -0.670 -1.933 4.920) 5.328 9.421 ( 4.423 6.823 4.274) 9.186 10.245 ( -33.537 -0.933 16.084) 37.206 12.315 ( 11.899 -2.155 -7.673) 14.322 12.942 ( -7.247 1.188 10.931) 13.169 12.948 ( -7.356 1.393 9.818) 12.346 16.252 ( 7.887 11.077 -5.749) 14.764 16.647 ( 1.489 -0.933 -0.789) 1.926 17.563 ( 10.985 -1.681 -0.675) 11.133 17.955 ( 9.950 -9.760 -0.965) 13.971 ======================= Grid point 138 (51/366) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 3.593 -0.738 14.422) 14.881 1.752 ( -2.049 -0.681 13.525) 13.696 1.812 ( -4.313 8.075 3.149) 9.681 2.305 ( -1.200 -4.622 -3.531) 5.939 2.987 ( 6.327 5.712 -2.790) 8.969 3.409 ( -0.965 -1.337 4.796) 5.072 3.733 ( 2.801 -7.808 -14.290) 16.523 4.248 ( -3.545 -0.443 3.139) 4.756 4.339 ( -3.135 -1.115 -0.969) 3.466 4.714 ( 3.856 0.106 -5.020) 6.331 5.028 ( -2.792 -5.241 3.661) 6.976 6.133 ( 6.496 -2.526 -9.057) 11.429 6.699 ( -3.488 0.489 10.851) 11.408 7.236 ( -2.584 1.403 3.375) 4.476 7.549 ( -0.939 -1.960 4.389) 4.897 9.398 ( -0.607 7.872 5.772) 9.780 10.052 ( -18.341 -1.061 4.827) 18.995 12.401 ( 9.654 -2.028 -7.441) 12.356 12.925 ( -5.960 0.884 7.135) 9.339 12.946 ( -6.938 1.927 9.724) 12.100 16.149 ( 1.605 7.110 -4.397) 8.512 16.673 ( 2.866 0.931 1.033) 3.185 17.711 ( 9.333 -2.078 -0.618) 9.581 18.148 ( 9.578 -2.665 2.221) 10.187 ======================= Grid point 139 (52/366) ======================= q-point: (-0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -8.372 11.859 1.207) 14.567 1.718 ( -4.037 2.576 7.382) 8.799 1.880 ( 2.101 1.039 12.255) 12.477 2.268 ( -3.564 -2.033 -7.745) 8.765 2.976 ( 4.464 3.632 -1.359) 5.913 3.465 ( -2.024 -2.050 5.059) 5.821 3.666 ( 0.025 -3.091 -14.842) 15.161 4.135 ( -9.450 -0.147 -1.006) 9.505 4.447 ( 3.892 -4.614 3.208) 6.836 4.668 ( 3.159 -2.357 -9.223) 10.030 5.176 ( 2.505 -4.161 10.797) 11.839 6.150 ( 5.883 -2.045 -8.784) 10.768 6.757 ( -4.722 0.372 12.332) 13.211 7.224 ( -2.168 1.270 3.122) 4.008 7.589 ( -2.381 -0.849 4.134) 4.846 9.349 ( -3.558 6.325 8.413) 11.111 9.885 ( -10.591 0.978 -4.038) 11.377 12.446 ( 7.498 -0.676 -8.874) 11.637 12.910 ( -4.805 1.339 6.048) 7.839 12.923 ( -7.505 1.862 9.001) 11.866 16.039 ( -3.382 2.995 -2.885) 5.360 16.713 ( 4.083 2.011 1.953) 4.952 17.800 ( 4.527 0.663 -1.164) 4.721 18.336 ( 12.223 -0.004 7.099) 14.135 ======================= Grid point 140 (53/366) ======================= q-point: (-0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -8.541 16.629 -1.381) 18.745 1.658 ( -10.405 4.356 5.804) 12.685 1.980 ( -3.487 2.235 11.256) 11.994 2.113 ( -2.806 2.335 -12.967) 13.472 2.975 ( 3.687 3.915 -0.216) 5.382 3.456 ( -5.244 -3.996 -6.217) 9.062 3.601 ( 2.065 1.204 -0.812) 2.525 4.037 ( -5.702 -1.820 -2.558) 6.509 4.477 ( -0.091 -1.968 -7.411) 7.668 4.793 ( 7.249 -9.598 3.032) 12.404 5.352 ( 3.239 -1.777 9.864) 10.533 6.161 ( 5.357 -1.124 -6.741) 8.683 6.812 ( -5.394 -0.172 12.171) 13.314 7.207 ( -2.571 1.181 2.180) 3.571 7.587 ( -4.094 0.970 3.701) 5.604 9.337 ( -4.074 3.814 12.316) 13.521 9.685 ( -7.838 3.199 -8.513) 12.006 12.424 ( 6.221 1.930 -11.375) 13.108 12.893 ( -4.174 1.753 5.811) 7.367 12.897 ( -7.658 1.354 8.877) 11.802 15.942 ( -7.217 -0.896 -1.088) 7.354 16.755 ( 3.776 2.416 2.045) 4.927 17.788 ( 0.893 4.457 -0.767) 4.610 18.582 ( 13.620 0.277 10.556) 17.234 ======================= Grid point 141 (54/366) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -5.574 17.319 0.648) 18.205 1.454 ( -16.701 7.531 0.874) 18.341 1.797 ( -12.159 7.822 -6.278) 15.762 2.074 ( -0.820 2.465 7.105) 7.565 2.947 ( 3.193 6.945 -1.165) 7.732 3.405 ( 0.152 -6.319 -8.268) 10.408 3.622 ( -0.314 2.363 5.854) 6.321 3.988 ( -1.597 -2.224 -3.829) 4.707 4.418 ( 1.209 -3.426 -12.481) 12.999 5.039 ( 5.015 -10.101 5.313) 12.466 5.479 ( 2.531 0.240 6.832) 7.290 6.179 ( 4.735 0.240 -3.608) 5.957 6.870 ( -5.261 -1.454 11.710) 12.920 7.167 ( -4.231 0.797 0.336) 4.318 7.545 ( -4.618 2.182 3.443) 6.160 9.367 ( 4.837 3.285 -9.520) 11.172 9.507 ( -15.982 2.257 22.526) 27.712 12.339 ( 6.170 4.532 -12.822) 14.934 12.867 ( -3.890 1.250 3.291) 5.247 12.886 ( -6.980 1.456 10.158) 12.411 15.859 ( -11.338 -3.899 0.673) 12.009 16.779 ( 2.027 2.787 1.906) 3.938 17.716 ( -0.460 6.532 -0.042) 6.548 18.843 ( 12.202 1.103 11.633) 16.895 ======================= Grid point 142 (55/366) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -0.131 15.445 6.431) 16.731 1.099 ( -17.801 11.332 -4.511) 21.578 1.486 ( -15.932 13.431 5.338) 21.511 2.086 ( -5.298 1.554 8.146) 9.841 2.870 ( 2.054 8.359 -0.869) 8.651 3.439 ( 4.980 -5.726 -9.212) 11.935 3.655 ( -0.738 0.748 7.449) 7.522 3.976 ( 1.618 -1.527 -3.470) 4.122 4.340 ( 5.378 -2.336 -20.577) 21.396 5.245 ( 1.878 -8.752 4.425) 9.985 5.539 ( 1.121 1.294 2.932) 3.396 6.194 ( 3.316 1.891 -1.221) 4.008 6.950 ( -5.005 -3.248 11.852) 13.269 7.085 ( -6.484 0.246 -2.631) 7.002 7.499 ( -3.591 2.114 3.116) 5.203 9.164 ( 2.514 5.637 -19.972) 20.904 9.773 ( -14.686 -7.303 59.928) 62.132 12.233 ( 7.420 5.645 -12.307) 15.440 12.834 ( -2.442 1.169 0.948) 2.868 12.880 ( -7.035 1.211 9.436) 11.832 15.763 ( -16.981 -5.583 2.532) 18.054 16.769 ( -0.349 3.438 1.855) 3.922 17.624 ( -0.848 6.975 0.173) 7.029 19.060 ( 8.668 1.105 8.400) 12.121 ======================= Grid point 143 (56/366) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -11.700 11.570 3.523) 16.827 0.763 ( 5.537 18.067 11.730) 22.241 1.214 ( -19.070 14.616 21.891) 32.504 2.070 ( -7.399 -0.078 6.697) 9.980 2.783 ( 0.035 8.506 1.352) 8.613 3.441 ( 3.379 -2.908 -12.315) 13.096 3.733 ( 1.205 -1.402 5.325) 5.637 4.006 ( 5.631 -1.040 -2.084) 6.094 4.176 ( 10.852 6.014 -30.661) 33.076 5.377 ( -0.296 -6.223 0.918) 6.297 5.539 ( -1.199 0.936 1.088) 1.870 6.181 ( 1.520 3.201 -1.456) 3.831 6.948 ( -10.392 -1.134 -3.961) 11.179 7.062 ( -2.086 -3.695 9.867) 10.741 7.465 ( -2.918 1.908 2.827) 4.489 8.969 ( 3.054 4.710 -12.199) 13.429 10.567 ( -20.914 -36.747 98.091) 106.815 12.166 ( 9.014 3.923 -8.396) 12.928 12.795 ( -0.842 0.761 -2.442) 2.693 12.866 ( -7.640 0.969 9.179) 11.982 15.619 ( -23.295 -4.774 4.852) 24.269 16.725 ( -2.012 3.900 1.648) 4.687 17.531 ( -0.926 6.286 -0.346) 6.363 19.127 ( -1.125 1.628 -7.971) 8.213 ======================= Grid point 144 (57/366) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( -6.461 10.991 11.958) 17.480 0.831 ( 2.997 13.364 22.543) 26.377 1.206 ( -3.888 7.706 37.754) 38.728 2.040 ( -7.456 -0.802 4.652) 8.825 2.686 ( -1.033 8.788 2.693) 9.249 3.369 ( 2.432 -0.932 -13.508) 13.757 3.756 ( -1.033 4.576 -5.476) 7.211 3.900 ( 15.450 15.063 -19.888) 29.345 4.097 ( 5.376 -1.882 1.751) 5.959 5.391 ( -3.503 -3.342 -4.485) 6.600 5.521 ( -3.131 0.611 1.104) 3.376 6.127 ( 1.064 3.473 -3.830) 5.279 6.788 ( -7.217 -0.119 -7.064) 10.099 7.181 ( -3.177 -4.280 10.563) 11.832 7.433 ( -3.578 1.812 3.354) 5.229 8.918 ( 6.478 1.302 -2.347) 7.012 11.768 ( -30.489 -48.452 50.439) 76.297 12.296 ( -24.475 -29.110 24.401) 45.186 12.798 ( -3.331 -5.403 9.017) 11.027 12.889 ( -11.447 -11.453 22.608) 27.808 15.439 ( -9.403 2.969 5.727) 11.403 16.666 ( -1.864 3.401 0.923) 3.986 17.445 ( -0.515 4.752 -1.358) 4.969 18.611 ( -20.849 30.643 -36.281) 51.865 ======================= Grid point 147 (58/366) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 6.431 -0.000 19.870) 20.885 1.602 ( -3.599 0.000 19.884) 20.207 1.919 ( 0.049 -0.000 6.475) 6.475 2.223 ( 1.309 -0.000 -2.853) 3.139 3.280 ( 4.538 -0.000 -4.341) 6.280 3.290 ( 4.472 -0.000 4.048) 6.032 3.414 ( 5.478 -0.000 -5.696) 7.902 4.125 ( 4.329 -0.000 2.265) 4.886 4.519 ( 6.629 -0.000 11.409) 13.195 4.624 ( -14.521 0.000 -8.393) 16.772 5.042 ( -5.105 0.000 -9.530) 10.812 6.074 ( 6.967 -0.000 -7.884) 10.521 6.655 ( -1.724 0.000 7.078) 7.284 7.280 ( -4.119 0.000 2.924) 5.051 7.463 ( -0.082 0.000 4.642) 4.643 9.517 ( 7.465 -0.000 2.007) 7.730 10.226 ( -38.975 0.000 19.538) 43.598 12.287 ( 12.418 -0.000 -7.648) 14.584 12.958 ( -5.887 0.000 11.438) 12.864 12.965 ( -10.856 0.000 10.456) 15.073 16.439 ( 4.347 -0.000 -12.008) 12.771 16.621 ( 4.944 -0.000 0.342) 4.955 17.583 ( 14.187 -0.000 -4.542) 14.896 17.766 ( 14.900 -0.000 7.171) 16.536 ======================= Grid point 148 (59/366) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 6.071 -0.008 16.644) 17.716 1.727 ( -4.554 -0.896 16.125) 16.780 1.978 ( 0.115 4.703 8.050) 9.324 2.194 ( -2.157 -3.588 -4.665) 6.268 3.187 ( 6.630 10.058 -4.930) 13.016 3.376 ( -3.993 -1.655 6.276) 7.621 3.494 ( 7.104 -10.245 -12.608) 17.731 4.200 ( 2.050 -1.750 2.497) 3.674 4.370 ( -12.153 1.717 -5.176) 13.321 4.702 ( 5.526 -0.682 0.525) 5.593 4.929 ( -2.706 -2.212 0.512) 3.533 6.086 ( 7.024 -1.108 -8.868) 11.367 6.708 ( -3.756 0.234 11.039) 11.662 7.260 ( -3.066 0.514 2.819) 4.197 7.511 ( 0.302 -0.879 3.993) 4.100 9.568 ( 3.076 4.676 1.033) 5.691 10.006 ( -23.661 -1.883 10.769) 26.065 12.365 ( 10.641 -0.821 -6.849) 12.682 12.937 ( -7.941 0.229 8.049) 11.309 12.981 ( -6.612 0.748 9.970) 11.986 16.318 ( -0.182 4.645 -9.721) 10.775 16.699 ( 6.246 0.780 1.470) 6.464 17.702 ( 12.778 1.021 -2.647) 13.089 18.057 ( 15.291 -3.612 6.418) 16.973 ======================= Grid point 149 (60/366) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -2.603 2.505 12.217) 12.740 1.865 ( -0.792 0.483 12.019) 12.055 1.908 ( -2.313 6.637 1.229) 7.135 2.196 ( -2.100 -3.355 -0.237) 3.965 3.109 ( 6.177 7.045 -5.403) 10.815 3.408 ( -4.542 -2.344 5.347) 7.397 3.542 ( 4.223 -6.764 -12.305) 14.663 4.140 ( -12.564 0.344 -0.849) 12.597 4.327 ( 3.637 -4.084 2.058) 5.843 4.628 ( -1.669 -1.088 -13.610) 13.755 5.087 ( 5.391 -2.703 13.233) 14.543 6.099 ( 6.451 -1.750 -8.864) 11.101 6.766 ( -5.118 0.321 12.481) 13.493 7.249 ( -1.898 0.729 2.488) 3.213 7.564 ( -0.213 -0.952 4.091) 4.205 9.515 ( -2.203 6.529 2.997) 7.514 9.874 ( -13.032 -1.741 1.538) 13.238 12.427 ( 8.684 -0.698 -6.988) 11.168 12.921 ( -5.924 0.092 6.427) 8.741 12.974 ( -6.985 1.612 8.912) 11.437 16.154 ( -2.903 4.873 -7.450) 9.364 16.775 ( 6.548 2.569 2.237) 7.381 17.810 ( 9.340 0.624 -1.705) 9.515 18.333 ( 15.142 -0.542 7.381) 16.853 ======================= Grid point 150 (61/366) ======================= q-point: (-0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -9.347 10.762 -3.757) 14.742 1.739 ( -7.063 2.847 6.700) 10.142 2.030 ( 0.368 1.301 13.163) 13.232 2.168 ( -0.042 2.403 -4.906) 5.463 3.073 ( 5.577 4.034 -2.268) 7.247 3.382 ( -5.334 -2.254 -4.928) 7.604 3.578 ( 2.782 -2.920 -0.216) 4.039 3.997 ( -10.346 -1.232 -0.425) 10.428 4.407 ( -2.160 -3.106 -6.399) 7.434 4.570 ( 4.531 -7.864 -3.323) 9.665 5.306 ( 5.486 -1.690 11.765) 13.091 6.118 ( 5.782 -2.042 -7.181) 9.443 6.813 ( -5.898 0.237 11.850) 13.239 7.238 ( -1.448 1.214 1.671) 2.523 7.599 ( -1.541 0.130 3.763) 4.068 9.446 ( -3.928 4.768 5.961) 8.585 9.735 ( -8.771 0.813 -4.189) 9.754 12.452 ( 7.448 0.591 -8.390) 11.234 12.911 ( -4.693 0.300 4.997) 6.861 12.950 ( -7.030 2.087 8.954) 11.574 15.994 ( -4.705 3.802 -4.816) 7.732 16.834 ( 5.880 3.701 2.183) 7.282 17.868 ( 5.124 2.269 -1.203) 5.731 18.594 ( 15.181 0.731 8.975) 17.651 ======================= Grid point 151 (62/366) ======================= q-point: (-0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -10.889 9.481 -7.049) 16.067 1.630 ( -10.109 7.395 4.610) 13.347 2.007 ( -3.745 9.393 -1.172) 10.180 2.143 ( 1.201 2.524 6.649) 7.212 3.101 ( 7.113 4.256 1.187) 8.374 3.281 ( -3.902 -2.645 -7.323) 8.709 3.647 ( -0.385 -0.580 5.246) 5.292 3.916 ( -5.934 -3.238 -1.171) 6.861 4.304 ( -3.498 -4.858 -13.287) 14.574 4.776 ( 5.237 -10.901 3.911) 12.710 5.476 ( 3.944 -0.382 8.332) 9.227 6.155 ( 5.164 -1.918 -4.080) 6.856 6.848 ( -6.207 -0.370 10.617) 12.303 7.207 ( -2.063 2.077 -0.021) 2.928 7.593 ( -2.877 1.656 3.010) 4.481 9.422 ( 0.503 1.670 -1.665) 2.411 9.580 ( -11.460 3.061 7.275) 13.915 12.430 ( 7.221 2.839 -10.335) 12.923 12.891 ( -4.822 0.781 4.310) 6.515 12.930 ( -6.047 1.863 8.489) 10.588 15.857 ( -6.022 2.503 -1.965) 6.811 16.868 ( 4.454 4.283 1.859) 6.452 17.858 ( 2.042 4.808 -0.626) 5.261 18.852 ( 13.357 0.251 8.947) 16.079 ======================= Grid point 152 (63/366) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -8.576 6.656 -4.221) 11.647 1.418 ( -9.191 13.616 4.520) 17.039 1.801 ( -4.898 12.617 -1.414) 13.608 2.168 ( -3.321 4.398 9.270) 10.784 3.095 ( 4.197 9.022 -0.551) 9.966 3.281 ( 3.083 -6.345 -3.784) 8.005 3.673 ( -3.461 0.175 5.767) 6.728 3.908 ( -1.119 -3.666 -0.996) 3.961 4.209 ( -0.567 -6.893 -15.508) 16.980 4.999 ( 2.512 -10.969 4.038) 11.956 5.567 ( 1.788 0.894 3.707) 4.212 6.206 ( 3.994 -0.944 -1.135) 4.258 6.882 ( -6.636 -1.964 9.798) 11.996 7.133 ( -2.627 3.087 -2.731) 4.888 7.555 ( -3.467 2.402 2.781) 5.051 9.285 ( 2.610 3.989 -18.956) 19.546 9.656 ( -12.683 -2.598 37.030) 39.228 12.365 ( 7.664 4.940 -11.362) 14.568 12.859 ( -4.381 0.873 2.846) 5.296 12.917 ( -5.565 1.584 7.392) 9.387 15.743 ( -7.245 2.257 0.851) 7.636 16.872 ( 2.386 4.790 1.728) 5.623 17.796 ( 0.401 6.658 -0.220) 6.673 19.064 ( 8.667 -0.242 5.632) 10.339 ======================= Grid point 153 (64/366) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -3.335 6.186 5.552) 8.956 1.209 ( -1.567 17.083 7.550) 18.743 1.564 ( -9.477 13.783 5.630) 17.649 2.136 ( -5.266 5.097 7.703) 10.632 3.021 ( 2.549 9.689 1.363) 10.111 3.339 ( 2.414 -4.516 -8.137) 9.614 3.709 ( -0.899 -1.146 6.758) 6.913 3.946 ( 1.116 -3.354 0.004) 3.535 4.159 ( 6.443 -5.252 -18.217) 20.024 5.176 ( -0.161 -9.876 2.813) 10.270 5.572 ( -0.830 1.514 -0.353) 1.763 6.239 ( 2.194 1.105 -0.386) 2.486 6.905 ( -9.797 -2.856 5.934) 11.805 7.042 ( 0.686 2.487 -2.353) 3.492 7.511 ( -3.841 2.158 3.480) 5.614 9.092 ( 3.069 5.036 -14.925) 16.048 10.020 ( -15.892 -12.876 54.667) 58.368 12.289 ( 8.486 5.602 -10.672) 14.741 12.817 ( -2.349 0.837 -1.167) 2.753 12.895 ( -6.866 1.291 7.446) 10.211 15.637 ( -7.404 3.792 3.540) 9.041 16.842 ( 0.112 5.387 1.729) 5.659 17.706 ( -0.393 7.532 -0.327) 7.549 19.147 ( 1.097 0.355 -2.784) 3.013 ======================= Grid point 154 (65/366) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -3.077 14.442 4.629) 15.474 1.156 ( 1.333 12.659 16.758) 21.045 1.429 ( -3.095 9.590 18.904) 21.422 2.078 ( -4.911 4.225 5.643) 8.591 2.938 ( 0.157 10.800 3.136) 11.247 3.305 ( 1.767 -3.636 -11.821) 12.493 3.773 ( -0.790 -0.297 4.366) 4.447 4.025 ( 1.492 -3.763 3.497) 5.349 4.127 ( 15.613 1.717 -21.445) 26.582 5.275 ( -2.500 -6.857 -1.940) 7.552 5.524 ( -3.471 0.338 -0.241) 3.496 6.218 ( 1.040 3.345 -2.286) 4.183 6.801 ( -7.059 0.889 -4.239) 8.281 7.082 ( 0.082 -3.008 5.409) 6.190 7.476 ( -4.553 1.846 4.721) 6.814 8.976 ( 4.737 3.432 -6.905) 9.050 10.613 ( -31.122 -29.432 68.541) 80.825 12.236 ( 8.110 4.500 -8.612) 12.657 12.764 ( -0.094 0.388 -3.824) 3.844 12.867 ( -8.263 0.804 9.056) 12.286 15.554 ( -2.135 5.856 5.387) 8.238 16.780 ( -1.396 5.603 1.429) 5.949 17.601 ( -0.460 7.508 -1.018) 7.591 18.979 ( -8.214 6.582 -16.321) 19.421 ======================= Grid point 155 (66/366) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -2.789 10.873 13.291) 17.397 1.186 ( -2.888 10.241 22.367) 24.768 1.622 ( 9.049 2.886 22.171) 24.120 2.028 ( -3.320 3.396 4.097) 6.272 2.833 ( 0.221 8.946 2.278) 9.234 3.278 ( 4.459 -1.981 -8.346) 9.668 3.763 ( 0.113 3.634 -1.748) 4.034 4.065 ( 11.571 8.770 -8.891) 17.025 4.135 ( 4.964 -3.208 -0.837) 5.969 5.233 ( -5.643 -3.342 -7.623) 10.056 5.477 ( -5.400 -0.142 -0.219) 5.406 6.152 ( 2.053 4.216 -4.531) 6.521 6.679 ( -2.552 0.992 -5.411) 6.064 7.181 ( -1.083 -4.414 5.885) 7.436 7.445 ( -5.075 2.069 6.003) 8.128 9.003 ( 7.167 -0.608 0.833) 7.241 11.109 ( -61.394 -33.541 58.400) 91.130 12.190 ( 6.883 4.373 -8.787) 11.988 12.788 ( -1.548 -4.072 7.298) 8.499 12.863 ( -7.904 -1.352 11.299) 13.855 15.610 ( 13.696 0.943 4.008) 14.302 16.708 ( -1.162 4.737 0.580) 4.912 17.498 ( 0.452 6.607 -1.953) 6.905 18.478 ( -9.950 21.810 -23.327) 33.449 ======================= Grid point 159 (67/366) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -6.031 0.000 13.331) 14.632 1.813 ( 6.145 -0.000 14.316) 15.579 2.033 ( -7.816 0.000 -8.361) 11.445 2.134 ( 1.769 -0.000 10.833) 10.976 3.290 ( -0.368 0.000 -7.758) 7.767 3.313 ( 5.255 -0.000 -5.306) 7.468 3.427 ( 1.997 -0.000 0.417) 2.040 4.144 ( -13.206 0.000 -0.643) 13.221 4.276 ( 2.709 -0.000 0.477) 2.751 4.614 ( -3.337 0.000 -14.098) 14.488 5.053 ( 6.929 -0.000 14.098) 15.708 6.076 ( 6.594 -0.000 -8.842) 11.030 6.770 ( -5.255 0.000 12.534) 13.591 7.258 ( -1.618 0.000 2.088) 2.642 7.551 ( 0.570 -0.000 4.151) 4.190 9.615 ( 1.251 -0.000 -3.331) 3.558 9.835 ( -16.943 0.000 7.657) 18.593 12.417 ( 9.163 -0.000 -6.399) 11.177 12.922 ( -6.372 0.000 6.778) 9.303 12.994 ( -6.798 0.000 8.752) 11.083 16.221 ( -3.485 0.000 -9.468) 10.089 16.812 ( 7.282 -0.000 2.479) 7.692 17.824 ( 10.660 -0.000 -2.910) 11.050 18.320 ( 17.283 -0.000 8.595) 19.303 ======================= Grid point 160 (68/366) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -11.306 1.073 -7.174) 13.433 1.855 ( -6.762 4.115 7.483) 10.893 2.020 ( 4.097 -1.581 11.968) 12.748 2.235 ( 1.414 2.160 6.504) 6.997 3.169 ( 1.442 3.292 -7.754) 8.547 3.334 ( 0.895 -1.670 -4.569) 4.946 3.495 ( 2.654 -2.654 3.375) 5.047 3.978 ( -13.165 -0.379 0.493) 13.179 4.347 ( 2.357 -1.495 0.819) 2.908 4.436 ( -2.791 -2.736 -12.970) 13.546 5.278 ( 6.969 -0.600 12.634) 14.441 6.078 ( 5.810 -0.955 -7.330) 9.402 6.819 ( -5.986 0.154 11.816) 13.247 7.260 ( -0.211 0.473 1.026) 1.149 7.598 ( 0.064 -0.065 4.130) 4.131 9.548 ( -2.069 2.897 -3.490) 4.985 9.730 ( -11.374 -0.808 3.702) 11.989 12.460 ( 8.092 0.114 -6.640) 10.468 12.913 ( -4.757 0.006 5.383) 7.184 12.987 ( -6.710 0.807 8.024) 10.491 16.074 ( -4.574 2.004 -7.378) 8.910 16.910 ( 6.342 1.870 2.649) 7.122 17.907 ( 7.778 0.914 -2.094) 8.106 18.609 ( 16.177 0.329 8.530) 18.291 ======================= Grid point 161 (69/366) ======================= q-point: (-0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -15.290 1.738 -13.059) 20.183 1.812 ( -6.375 6.625 9.592) 13.287 2.171 ( 3.174 -0.338 5.467) 6.331 2.229 ( 0.312 7.523 4.288) 8.665 3.117 ( 0.618 -1.143 -2.684) 2.981 3.302 ( 1.556 2.290 -3.148) 4.192 3.604 ( 2.068 -2.240 5.720) 6.482 3.850 ( -10.711 -1.912 0.793) 10.909 4.219 ( -5.221 -1.625 -14.033) 15.061 4.533 ( 4.486 -8.263 2.938) 9.851 5.466 ( 4.978 -0.340 9.485) 10.717 6.104 ( 5.034 -1.814 -4.281) 6.853 6.848 ( -6.264 0.232 10.139) 11.920 7.253 ( 0.217 1.452 -0.536) 1.563 7.624 ( -1.045 0.866 3.104) 3.388 9.458 ( -1.429 1.240 -5.294) 5.622 9.638 ( -10.140 1.556 6.716) 12.261 12.480 ( 7.800 1.303 -7.672) 11.018 12.904 ( -3.812 0.291 3.575) 5.234 12.969 ( -6.545 1.183 7.713) 10.185 15.931 ( -4.648 2.732 -4.155) 6.807 16.969 ( 4.864 3.440 2.315) 6.392 17.947 ( 4.734 2.444 -1.436) 5.518 18.863 ( 13.440 0.533 7.613) 15.456 ======================= Grid point 162 (70/366) ======================= q-point: (-0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -12.402 1.590 -8.951) 15.377 1.712 ( -7.647 10.113 9.067) 15.587 2.089 ( 2.274 9.691 -8.148) 12.864 2.270 ( -1.807 3.716 11.641) 12.353 3.140 ( -1.219 -4.322 -1.211) 4.651 3.288 ( 6.691 5.432 1.584) 8.762 3.664 ( -5.140 -0.365 5.147) 7.283 3.812 ( -2.216 -3.889 1.834) 4.838 4.057 ( -4.083 -4.676 -14.359) 15.643 4.729 ( 2.863 -10.532 3.468) 11.452 5.581 ( 2.119 0.350 5.091) 5.525 6.161 ( 3.979 -2.271 -0.846) 4.659 6.859 ( -6.544 -0.112 8.440) 10.681 7.212 ( -0.100 2.986 -2.653) 3.995 7.611 ( -2.036 2.011 1.923) 3.448 9.354 ( 1.536 1.679 -13.713) 13.901 9.630 ( -10.745 0.097 22.342) 24.791 12.467 ( 8.065 3.266 -9.166) 12.639 12.878 ( -4.023 0.651 2.131) 4.599 12.950 ( -5.886 1.024 6.587) 8.893 15.819 ( -3.988 3.236 -0.351) 5.148 16.990 ( 3.152 4.465 2.001) 5.820 17.935 ( 2.307 4.452 -0.950) 5.104 19.060 ( 8.787 -0.016 4.820) 10.022 ======================= Grid point 163 (71/366) ======================= q-point: (-0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -2.129 1.528 3.648) 4.492 1.573 ( -6.733 12.615 10.341) 17.647 1.886 ( -0.264 12.050 -8.015) 14.475 2.277 ( -3.790 5.469 8.643) 10.908 3.151 ( 0.890 -1.306 -2.010) 2.557 3.328 ( 3.212 5.623 2.223) 6.847 3.655 ( -4.128 -3.229 5.402) 7.526 3.861 ( -0.003 -3.096 -0.957) 3.240 3.999 ( 2.809 -6.661 -8.683) 11.299 4.913 ( 0.123 -11.169 2.836) 11.524 5.605 ( -1.076 1.088 0.337) 1.567 6.229 ( 2.401 -1.665 1.137) 3.135 6.853 ( -7.466 -0.995 6.269) 9.800 7.132 ( 0.560 4.149 -4.404) 6.076 7.571 ( -2.679 2.515 1.951) 4.160 9.207 ( 3.007 4.177 -13.671) 14.608 9.809 ( -11.028 -5.561 34.421) 36.570 12.423 ( 8.551 5.020 -10.039) 14.110 12.834 ( -3.249 0.597 -0.445) 3.334 12.924 ( -6.342 0.940 5.876) 8.696 15.746 ( -2.783 4.439 3.295) 6.189 16.976 ( 1.069 5.240 1.939) 5.689 17.879 ( 0.751 6.255 -0.726) 6.342 19.151 ( 2.042 0.060 -0.747) 2.175 ======================= Grid point 164 (72/366) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 4.024 5.885 9.883) 12.186 1.462 ( -3.135 12.290 12.248) 17.632 1.671 ( -1.588 10.377 -0.696) 10.521 2.221 ( -4.102 6.391 5.620) 9.448 3.166 ( 3.848 4.080 0.925) 5.684 3.238 ( -4.080 2.090 -5.239) 6.961 3.744 ( -0.752 -2.411 6.985) 7.427 3.904 ( 2.222 -6.027 -1.672) 6.638 4.084 ( 10.011 -3.242 -5.012) 11.656 5.055 ( -2.402 -10.578 1.302) 10.925 5.544 ( -4.111 1.122 -2.588) 4.986 6.268 ( 1.084 0.465 0.285) 1.213 6.806 ( -7.939 -0.411 1.089) 8.024 7.071 ( 2.244 2.096 -2.259) 3.812 7.529 ( -3.310 2.446 3.521) 5.417 9.081 ( 4.149 4.938 -9.008) 11.079 10.141 ( -15.854 -12.441 43.317) 47.775 12.367 ( 9.057 5.670 -9.730) 14.452 12.777 ( -0.985 0.528 -4.203) 4.349 12.889 ( -7.773 0.841 7.381) 10.752 15.705 ( -0.585 6.081 5.890) 8.486 16.925 ( -1.195 5.890 1.899) 6.303 17.790 ( -0.004 7.522 -0.918) 7.578 19.074 ( -5.400 2.161 -8.732) 10.492 ======================= Grid point 165 (73/366) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -1.239 14.519 3.495) 14.985 1.433 ( -4.468 9.747 17.494) 20.518 1.695 ( 8.206 2.797 11.579) 14.465 2.145 ( -2.421 5.596 3.197) 6.884 3.051 ( -4.029 7.921 -1.834) 9.075 3.230 ( 5.747 -1.274 -3.820) 7.018 3.799 ( 0.051 0.000 3.542) 3.543 4.018 ( 1.249 -5.734 3.875) 7.033 4.191 ( 13.502 1.362 -6.744) 15.154 5.115 ( -4.847 -7.099 -3.950) 9.460 5.454 ( -6.092 -0.923 -1.534) 6.350 6.248 ( 1.275 3.054 -2.505) 4.151 6.707 ( -4.781 1.018 -3.175) 5.828 7.094 ( 1.491 -2.054 1.458) 2.927 7.500 ( -3.752 2.448 5.595) 7.167 9.028 ( 4.803 2.856 -2.726) 6.218 10.502 ( -28.230 -17.384 44.568) 55.547 12.317 ( 9.215 5.698 -9.424) 14.359 12.740 ( 1.336 -0.598 -2.101) 2.560 12.864 ( -7.886 0.422 9.082) 12.035 15.706 ( 3.756 5.803 6.322) 9.368 16.843 ( -2.813 5.930 1.454) 6.723 17.683 ( 0.325 8.049 -1.472) 8.189 18.800 ( -9.745 7.232 -15.831) 19.947 ======================= Grid point 166 (74/366) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 1.617 9.589 13.988) 17.036 1.455 ( -2.987 7.317 18.203) 19.845 1.857 ( 1.287 1.422 8.198) 8.419 2.132 ( 5.589 3.168 4.554) 7.875 2.913 ( -1.255 5.262 -1.647) 5.655 3.282 ( 6.065 -0.391 -2.712) 6.655 3.825 ( 3.599 3.433 1.086) 5.091 4.130 ( 1.123 -4.250 2.515) 5.064 4.233 ( 9.035 6.238 -1.927) 11.147 5.032 ( -7.004 -3.121 -9.150) 11.938 5.381 ( -7.211 -1.275 -1.829) 7.548 6.190 ( 3.278 4.148 -5.059) 7.318 6.629 ( -1.532 0.606 -2.182) 2.734 7.165 ( 0.000 -3.812 2.912) 4.797 7.485 ( -3.525 2.713 6.816) 8.139 9.081 ( 5.195 -1.733 2.563) 6.047 10.656 ( -41.952 -13.284 34.943) 56.191 12.278 ( 10.801 5.245 -9.254) 15.159 12.800 ( -0.332 -3.431 6.770) 7.597 12.867 ( -6.849 -0.552 10.084) 12.202 15.798 ( 9.848 0.089 3.981) 10.622 16.750 ( -2.815 4.636 0.464) 5.444 17.582 ( 2.061 7.709 -1.907) 8.205 18.404 ( -6.634 12.843 -16.342) 21.817 ======================= Grid point 171 (75/366) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -16.019 0.000 -13.678) 21.064 1.908 ( -5.701 0.000 10.543) 11.985 2.152 ( 3.672 -0.000 6.677) 7.620 2.328 ( 1.106 -0.000 5.060) 5.179 3.102 ( -2.264 0.000 -4.501) 5.038 3.331 ( 3.728 -0.000 -3.049) 4.816 3.572 ( 3.838 -0.000 7.057) 8.034 3.826 ( -12.693 0.000 1.426) 12.773 4.211 ( -5.170 0.000 -15.323) 16.171 4.417 ( 3.703 -0.000 3.534) 5.118 5.462 ( 5.319 -0.000 9.901) 11.239 6.080 ( 4.913 -0.000 -4.356) 6.566 6.852 ( -6.171 0.000 10.098) 11.834 7.271 ( 1.174 -0.000 -0.813) 1.428 7.635 ( -0.303 0.000 3.239) 3.253 9.475 ( -1.880 0.000 -8.206) 8.419 9.657 ( -9.960 0.000 8.204) 12.904 12.496 ( 7.971 -0.000 -6.585) 10.339 12.907 ( -3.410 0.000 3.412) 4.824 12.984 ( -6.652 0.000 7.196) 9.800 15.967 ( -4.538 0.000 -5.049) 6.789 17.015 ( 4.601 -0.000 2.664) 5.317 17.977 ( 5.804 -0.000 -1.947) 6.122 18.871 ( 13.365 -0.000 7.163) 15.163 ======================= Grid point 172 (76/366) ======================= q-point: (-0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -13.730 0.067 -10.030) 17.004 1.904 ( -6.013 4.907 9.539) 12.297 2.210 ( 2.994 0.749 -4.233) 5.239 2.362 ( -0.557 3.054 6.799) 7.474 3.068 ( -2.394 -1.455 1.659) 3.256 3.355 ( 4.157 0.608 -0.125) 4.203 3.679 ( -4.734 1.421 4.936) 6.985 3.730 ( -0.982 -2.619 5.005) 5.733 4.001 ( -5.082 -0.260 -14.944) 15.786 4.521 ( 2.346 -5.312 3.268) 6.663 5.587 ( 2.216 0.099 6.058) 6.451 6.115 ( 3.769 -1.116 -0.789) 4.009 6.863 ( -6.237 0.237 8.126) 10.246 7.265 ( 1.561 1.172 -2.880) 3.479 7.646 ( -1.012 0.766 1.574) 2.022 9.376 ( 0.059 0.345 -9.094) 9.101 9.641 ( -9.059 0.397 13.849) 16.554 12.522 ( 8.144 1.139 -7.168) 10.909 12.890 ( -2.693 0.252 0.617) 2.774 12.966 ( -6.767 0.317 6.501) 9.389 15.879 ( -3.305 1.334 -1.159) 3.748 17.072 ( 2.666 1.864 2.433) 4.063 18.009 ( 3.781 1.525 -1.650) 4.398 19.062 ( 8.474 0.081 4.369) 9.534 ======================= Grid point 173 (77/366) ======================= q-point: (-0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -2.612 -0.428 2.077) 3.365 1.833 ( -6.872 8.482 9.732) 14.624 2.117 ( 2.350 6.068 -11.694) 13.382 2.377 ( -2.844 2.588 6.566) 7.609 3.097 ( -1.394 -1.709 4.203) 4.746 3.430 ( 5.634 0.241 3.327) 6.548 3.595 ( -9.070 -0.472 2.228) 9.351 3.818 ( -2.517 -0.740 -9.859) 10.202 3.877 ( 5.248 -2.107 5.042) 7.576 4.655 ( 0.059 -9.096 2.474) 9.426 5.624 ( -1.537 0.538 1.612) 2.292 6.179 ( 2.250 -1.968 1.904) 3.544 6.850 ( -6.556 0.371 5.862) 8.802 7.221 ( 1.457 2.777 -4.864) 5.788 7.624 ( -1.600 1.656 0.640) 2.390 9.289 ( 3.207 2.421 -9.714) 10.512 9.716 ( -8.974 -2.315 22.791) 24.603 12.523 ( 8.471 2.965 -8.352) 12.260 12.846 ( -2.618 0.403 -1.813) 3.210 12.938 ( -6.764 0.277 5.604) 8.788 15.836 ( -1.376 2.646 3.196) 4.371 17.083 ( 0.735 3.261 2.212) 4.009 18.000 ( 2.044 3.415 -1.331) 4.196 19.151 ( 2.274 -0.014 0.127) 2.278 ======================= Grid point 174 (78/366) ======================= q-point: (-0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 8.399 0.182 12.077) 14.711 1.735 ( -6.666 9.697 11.011) 16.115 1.920 ( 0.955 9.011 -12.390) 15.350 2.345 ( -4.294 3.129 3.138) 6.171 3.145 ( 0.864 -0.933 2.739) 3.020 3.407 ( -3.935 6.873 -1.371) 8.037 3.636 ( 0.316 -6.377 8.186) 10.382 3.760 ( 0.967 -4.875 -6.325) 8.044 4.034 ( 8.090 -0.235 6.539) 10.405 4.784 ( -2.465 -10.905 1.646) 11.300 5.570 ( -5.153 0.874 -2.288) 5.705 6.245 ( 0.844 -1.834 2.571) 3.269 6.805 ( -6.862 0.432 2.638) 7.364 7.149 ( 1.935 3.448 -5.658) 6.903 7.588 ( -2.098 2.119 1.658) 3.412 9.207 ( 4.921 5.094 -7.799) 10.535 9.915 ( -9.977 -6.792 29.625) 31.989 12.496 ( 8.857 4.553 -9.214) 13.567 12.786 ( -1.413 0.241 -4.376) 4.604 12.904 ( -7.422 0.312 6.056) 9.584 15.837 ( 0.502 4.430 6.660) 8.014 17.053 ( -1.463 4.322 2.105) 5.025 17.951 ( 0.803 5.320 -1.124) 5.496 19.109 ( -4.542 0.852 -5.448) 7.144 ======================= Grid point 175 (79/366) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 6.018 8.242 5.672) 11.676 1.661 ( -6.266 8.627 13.211) 16.977 1.771 ( 5.752 4.196 -1.386) 7.253 2.263 ( -4.408 3.234 -0.470) 5.488 3.169 ( -1.205 1.508 -0.890) 2.125 3.273 ( 0.787 5.177 -1.761) 5.525 3.772 ( 0.387 -2.210 6.198) 6.592 3.848 ( 2.800 -7.841 2.834) 8.795 4.199 ( 10.002 0.398 4.204) 10.857 4.888 ( -4.210 -10.707 0.170) 11.506 5.447 ( -7.824 0.207 -4.260) 8.911 6.283 ( 0.451 -0.171 0.720) 0.867 6.726 ( -5.883 0.740 -0.751) 5.976 7.093 ( 2.439 1.673 -3.997) 4.972 7.560 ( -2.557 2.239 4.112) 5.335 9.139 ( 4.852 5.948 -4.230) 8.764 10.177 ( -14.437 -10.242 31.416) 36.060 12.455 ( 9.215 5.307 -9.363) 14.168 12.733 ( 0.816 -0.152 -4.710) 4.783 12.873 ( -7.833 0.186 7.611) 10.923 15.860 ( 1.955 6.216 8.189) 10.465 16.982 ( -3.871 5.142 1.904) 6.712 17.871 ( 0.302 6.881 -1.138) 6.981 18.915 ( -9.878 3.001 -10.968) 15.063 ======================= Grid point 176 (80/366) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 2.548 13.006 2.624) 13.510 1.627 ( -4.917 6.428 13.252) 15.528 1.897 ( 4.210 1.126 8.606) 9.646 2.182 ( 0.850 0.730 -2.398) 2.647 3.057 ( -3.510 6.436 -1.163) 7.423 3.278 ( 5.799 0.015 -3.312) 6.678 3.863 ( 4.557 -0.014 3.804) 5.936 4.004 ( -0.082 -5.840 7.486) 9.495 4.328 ( 8.122 1.932 1.540) 8.489 4.921 ( -5.411 -6.430 -4.618) 9.589 5.322 ( -8.275 -2.664 -2.877) 9.157 6.272 ( 1.629 2.112 -2.814) 3.877 6.646 ( -3.461 0.725 -1.213) 3.738 7.096 ( 1.831 -1.454 -0.707) 2.442 7.549 ( -2.767 2.390 6.111) 7.121 9.106 ( 3.668 3.872 -0.308) 5.342 10.372 ( -22.010 -10.143 26.694) 36.054 12.412 ( 9.733 5.487 -9.374) 14.584 12.740 ( 2.221 -1.726 0.260) 2.824 12.859 ( -7.320 -0.260 8.825) 11.469 15.890 ( 3.347 6.258 7.384) 10.241 16.874 ( -5.631 5.222 1.290) 7.787 17.776 ( 1.061 7.663 -1.271) 7.839 18.609 ( -10.666 5.308 -13.588) 18.071 ======================= Grid point 177 (81/366) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 6.125 7.615 12.080) 15.538 1.638 ( -3.601 4.151 12.961) 14.078 1.882 ( -7.472 1.746 1.284) 7.780 2.271 ( 8.886 -1.078 1.864) 9.143 2.940 ( -1.508 5.094 -1.030) 5.411 3.325 ( 5.536 -0.619 -2.319) 6.034 3.937 ( 7.053 2.747 -1.589) 7.734 4.126 ( -1.008 -3.258 7.458) 8.200 4.378 ( 3.028 3.322 2.462) 5.125 4.832 ( -5.211 -2.039 -8.552) 10.220 5.246 ( -7.197 -2.444 -2.077) 7.879 6.227 ( 3.888 3.229 -6.094) 7.917 6.613 ( -1.696 0.077 2.048) 2.660 7.148 ( 0.305 -3.094 2.138) 3.773 7.548 ( -2.562 2.623 6.483) 7.448 9.138 ( 2.363 -0.958 3.280) 4.154 10.386 ( -26.937 -5.893 18.174) 33.025 12.386 ( 10.624 4.720 -8.690) 14.514 12.819 ( -0.128 -3.149 5.741) 6.549 12.873 ( -6.494 -0.979 9.784) 11.784 15.942 ( 5.072 2.440 4.603) 7.271 16.755 ( -5.369 3.844 0.359) 6.612 17.696 ( 3.291 7.391 -1.130) 8.169 18.308 ( -5.867 6.045 -11.167) 13.988 ======================= Grid point 183 (82/366) ======================= q-point: ( 0.45 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -2.951 0.000 1.516) 3.317 1.951 ( -6.256 0.000 8.729) 10.739 2.181 ( 2.197 -0.000 -9.597) 9.846 2.409 ( -2.427 0.000 3.263) 4.067 3.077 ( -2.145 0.000 7.651) 7.946 3.408 ( 3.759 -0.000 1.393) 4.009 3.597 ( -8.088 0.000 2.826) 8.568 3.794 ( -3.315 0.000 -12.296) 12.735 3.888 ( 6.745 -0.000 8.352) 10.735 4.527 ( -0.383 0.000 2.379) 2.409 5.631 ( -1.746 0.000 2.175) 2.790 6.152 ( 2.192 -0.000 2.047) 2.999 6.856 ( -6.313 0.000 5.806) 8.578 7.257 ( 1.939 -0.000 -5.050) 5.409 7.645 ( -1.233 0.000 0.208) 1.251 9.320 ( 3.389 -0.000 -7.123) 7.888 9.688 ( -8.492 0.000 18.103) 19.996 12.561 ( 8.299 -0.000 -7.316) 11.063 12.852 ( -1.741 0.000 -3.214) 3.655 12.941 ( -7.363 0.000 5.986) 9.489 15.869 ( -1.054 0.000 3.163) 3.334 17.125 ( 0.345 -0.000 2.349) 2.374 18.042 ( 2.634 -0.000 -1.631) 3.098 19.151 ( 2.260 -0.000 0.355) 2.288 ======================= Grid point 185 (83/366) ======================= q-point: (-0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 9.592 -0.579 11.793) 15.212 1.920 ( -7.131 4.667 8.444) 11.997 2.073 ( 1.578 3.040 -13.751) 14.171 2.377 ( -4.874 0.130 0.037) 4.876 3.143 ( -0.989 0.364 8.884) 8.947 3.492 ( 1.601 -3.881 3.642) 5.558 3.540 ( -2.713 3.805 1.275) 4.843 3.664 ( -1.349 -3.071 -7.050) 7.807 4.068 ( 8.313 2.058 10.506) 13.555 4.561 ( -2.944 -6.002 1.334) 6.817 5.585 ( -5.927 0.322 -1.548) 6.134 6.204 ( 0.822 -1.058 3.401) 3.655 6.818 ( -6.447 0.428 2.881) 7.074 7.213 ( 1.847 1.476 -6.677) 7.084 7.625 ( -1.617 0.815 0.539) 1.890 9.309 ( 6.667 2.622 -5.464) 9.010 9.795 ( -8.949 -2.797 22.737) 24.594 12.577 ( 8.438 1.801 -8.214) 11.913 12.790 ( -0.955 0.052 -5.687) 5.767 12.906 ( -7.686 -0.033 5.884) 9.680 15.912 ( 1.238 1.607 7.249) 7.527 17.127 ( -1.864 1.568 2.114) 3.225 18.041 ( 1.472 1.894 -1.360) 2.758 19.121 ( -4.070 0.238 -4.035) 5.736 ======================= Grid point 186 (84/366) ======================= q-point: (-0.36 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 13.100 0.786 12.080) 17.837 1.846 ( -7.684 6.224 9.287) 13.566 1.901 ( 2.171 5.145 -12.461) 13.655 2.292 ( -6.700 -0.487 -3.469) 7.561 3.194 ( 0.541 0.847 3.241) 3.394 3.416 ( -2.734 5.907 -1.773) 6.746 3.655 ( 2.480 -6.338 8.116) 10.592 3.708 ( 2.838 -3.545 2.502) 5.185 4.236 ( 7.799 2.646 9.339) 12.451 4.628 ( -3.800 -9.706 1.201) 10.492 5.455 ( -9.421 0.317 -4.631) 10.502 6.257 ( 0.145 -1.377 2.859) 3.177 6.747 ( -5.969 0.819 -0.072) 6.026 7.146 ( 2.071 2.035 -6.927) 7.511 7.603 ( -2.255 1.251 2.808) 3.812 9.296 ( 6.880 6.149 -3.660) 9.927 9.970 ( -10.167 -6.763 24.129) 27.043 12.565 ( 8.612 3.358 -9.096) 12.969 12.729 ( 0.616 -0.216 -6.080) 6.115 12.872 ( -7.904 -0.175 6.697) 10.362 15.988 ( 2.642 3.888 9.792) 10.862 17.082 ( -4.190 2.870 1.863) 5.410 18.006 ( 0.454 3.900 -0.968) 4.044 18.967 ( -9.597 1.411 -8.355) 12.802 ======================= Grid point 187 (85/366) ======================= q-point: (-0.27 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 5.761 9.912 -2.293) 11.692 1.759 ( -6.576 4.273 7.580) 10.906 1.908 ( 6.611 0.215 8.053) 10.422 2.167 ( -6.156 -1.692 -7.144) 9.581 3.194 ( -0.215 2.338 -0.582) 2.419 3.313 ( 0.753 5.044 -1.613) 5.349 3.829 ( 6.998 -3.447 1.169) 7.888 3.856 ( -0.116 -5.108 14.030) 14.931 4.360 ( 3.995 1.196 5.762) 7.113 4.726 ( -1.575 -8.648 1.513) 8.919 5.275 ( -11.098 -1.137 -6.147) 12.738 6.288 ( 0.363 -0.543 0.100) 0.661 6.665 ( -4.480 0.796 -0.815) 4.623 7.094 ( 2.438 0.937 -5.016) 5.655 7.596 ( -2.962 1.358 5.393) 6.301 9.255 ( 4.685 7.609 -1.654) 9.087 10.146 ( -13.234 -8.477 20.591) 25.904 12.534 ( 8.765 4.147 -9.547) 13.608 12.706 ( 2.323 -1.051 -3.166) 4.065 12.850 ( -7.661 -0.468 7.767) 10.919 16.057 ( 2.826 6.567 10.270) 12.513 16.991 ( -6.568 4.010 1.549) 7.850 17.941 ( -0.141 5.543 -0.628) 5.580 18.705 ( -12.368 2.893 -11.227) 16.952 ======================= Grid point 188 (86/366) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 6.002 9.439 0.798) 11.214 1.721 ( -6.564 2.607 9.349) 11.717 1.926 ( -10.278 1.343 -1.617) 10.491 2.197 ( 9.039 -4.276 1.827) 10.165 3.105 ( -3.215 7.094 0.137) 7.790 3.304 ( 5.010 -0.389 -2.929) 5.816 3.954 ( 7.500 -1.140 -0.641) 7.613 4.043 ( -0.084 -3.452 13.375) 13.814 4.411 ( -0.927 -0.382 2.235) 2.449 4.778 ( -1.597 -2.389 -3.817) 4.778 5.146 ( -7.620 -4.899 -1.783) 9.233 6.279 ( 1.710 0.838 -4.031) 4.458 6.617 ( -2.758 0.253 1.893) 3.355 7.093 ( 2.137 -1.191 -1.331) 2.785 7.598 ( -3.492 1.433 6.606) 7.608 9.203 ( 1.886 5.927 0.550) 6.244 10.226 ( -16.866 -7.087 13.613) 22.804 12.498 ( 9.013 4.138 -9.471) 13.714 12.751 ( 1.951 -2.428 1.745) 3.570 12.849 ( -6.902 -0.977 8.574) 11.051 16.088 ( 2.113 8.256 8.745) 12.210 16.860 ( -7.906 4.437 1.040) 9.125 17.862 ( 0.086 5.943 -0.591) 5.973 18.415 ( -10.149 3.229 -10.454) 14.924 ======================= Grid point 189 (87/366) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 7.759 4.539 7.746) 11.867 1.708 ( -8.873 -0.647 6.949) 11.289 1.751 ( -9.747 -0.196 -1.840) 9.921 2.354 ( 6.051 -2.190 0.516) 6.456 2.982 ( -2.613 5.946 -0.112) 6.496 3.362 ( 5.060 -1.265 -0.732) 5.267 3.990 ( 3.754 1.789 -7.127) 8.251 4.189 ( -0.175 -1.222 10.579) 10.650 4.402 ( -2.581 -0.259 0.444) 2.631 4.710 ( -0.730 -1.254 -6.797) 6.950 5.147 ( -2.962 -1.960 2.813) 4.531 6.240 ( 3.745 1.652 -7.385) 8.443 6.629 ( -2.149 -0.308 6.469) 6.824 7.140 ( 0.727 -2.447 1.961) 3.219 7.599 ( -3.632 1.521 6.233) 7.372 9.184 ( -0.337 1.225 3.480) 3.705 10.176 ( -17.754 -4.165 6.365) 19.314 12.471 ( 8.889 3.318 -9.125) 13.164 12.824 ( -1.824 -2.917 5.410) 6.412 12.873 ( -5.558 -1.591 8.729) 10.469 16.082 ( 0.871 6.635 5.493) 8.657 16.730 ( -6.141 3.185 0.695) 6.953 17.796 ( 1.249 4.435 -0.979) 4.710 18.216 ( -3.229 2.482 -5.186) 6.594 ======================= Grid point 196 (88/366) ======================= q-point: ( 0.55 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 14.614 -0.000 13.212) 19.701 1.932 ( -7.901 0.000 7.790) 11.095 1.969 ( 1.416 -0.000 -14.918) 14.985 2.276 ( -7.588 0.000 -4.393) 8.768 3.206 ( -0.950 0.000 3.464) 3.592 3.510 ( -0.611 0.000 5.074) 5.111 3.580 ( 0.413 -0.000 0.921) 1.009 3.635 ( 4.445 -0.000 5.257) 6.884 4.297 ( 8.789 -0.000 11.293) 14.309 4.476 ( -5.311 0.000 0.304) 5.319 5.459 ( -10.038 0.000 -4.520) 11.008 6.238 ( 0.166 -0.000 3.411) 3.415 6.758 ( -6.061 0.000 0.054) 6.061 7.173 ( 1.844 -0.000 -7.709) 7.926 7.619 ( -2.279 0.000 2.304) 3.241 9.387 ( 9.174 -0.000 -3.534) 9.831 9.875 ( -10.569 0.000 22.210) 24.596 12.608 ( 8.297 -0.000 -8.943) 12.199 12.725 ( 0.725 -0.000 -6.790) 6.828 12.869 ( -8.078 0.000 6.560) 10.406 16.037 ( 3.159 -0.000 10.452) 10.919 17.118 ( -4.223 0.000 1.754) 4.573 18.054 ( 0.581 -0.000 -0.917) 1.086 18.985 ( -9.313 0.000 -7.492) 11.952 ======================= Grid point 198 (89/366) ======================= q-point: (-0.36 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 9.577 2.583 5.785) 11.483 1.836 ( 0.295 1.898 -9.606) 9.796 1.926 ( -2.158 0.976 10.180) 10.452 2.121 ( -9.893 -1.453 -7.112) 12.270 3.192 ( 0.464 -0.656 -4.424) 4.496 3.493 ( -1.785 7.282 5.236) 9.145 3.699 ( 1.986 -5.190 9.506) 11.011 3.780 ( 6.597 -2.180 6.844) 9.752 4.396 ( -2.264 1.632 3.239) 4.276 4.545 ( 4.869 -5.123 7.695) 10.449 5.260 ( -12.872 -0.241 -7.404) 14.852 6.268 ( -0.007 -0.642 1.567) 1.693 6.681 ( -4.984 0.400 -0.881) 5.078 7.119 ( 2.264 0.702 -7.161) 7.543 7.616 ( -3.438 0.388 4.928) 6.021 9.432 ( 7.717 5.307 -2.780) 9.770 9.968 ( -11.977 -5.034 18.711) 22.779 12.606 ( 8.083 1.606 -9.978) 12.942 12.688 ( 2.410 -0.440 -4.949) 5.522 12.840 ( -8.077 -0.285 7.611) 11.101 16.177 ( 3.871 2.697 12.100) 12.987 17.059 ( -6.413 1.458 1.432) 6.731 18.037 ( -0.572 2.090 -0.126) 2.171 18.755 ( -12.892 1.068 -10.090) 16.406 ======================= Grid point 199 (90/366) ======================= q-point: (-0.27 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 5.196 7.055 -6.499) 10.909 1.769 ( -7.423 1.243 5.541) 9.346 1.927 ( -12.453 -1.360 -6.951) 14.326 2.107 ( 8.439 -2.318 9.068) 12.602 3.170 ( 1.676 -1.275 -5.557) 5.943 3.411 ( -2.516 8.533 4.260) 9.863 3.879 ( 4.223 -4.923 6.014) 8.846 3.965 ( 4.764 -2.698 9.604) 11.055 4.384 ( -3.706 -1.298 2.755) 4.797 4.717 ( 3.384 -2.212 3.031) 5.053 5.047 ( -10.698 -2.741 -5.539) 12.354 6.277 ( 0.255 -0.649 -2.017) 2.134 6.625 ( -3.457 0.323 1.482) 3.776 7.085 ( 2.892 0.215 -4.729) 5.547 7.619 ( -4.641 0.397 6.712) 8.170 9.391 ( 3.453 8.337 -1.698) 9.182 10.046 ( -12.936 -7.272 11.827) 18.976 12.577 ( 7.673 2.226 -10.702) 13.355 12.703 ( 2.971 -1.371 -1.067) 3.441 12.828 ( -7.591 -0.666 8.450) 11.378 16.284 ( 3.212 6.543 12.054) 14.087 16.955 ( -8.277 2.960 1.309) 8.887 17.985 ( -2.265 4.013 0.412) 4.626 18.473 ( -12.823 1.423 -10.495) 16.631 ======================= Grid point 200 (91/366) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 5.524 4.190 -4.448) 8.237 1.690 ( -14.105 -0.115 1.320) 14.167 1.744 ( -8.720 -0.735 1.793) 8.933 2.295 ( 5.481 -1.950 5.016) 7.682 3.124 ( -1.755 3.573 -2.919) 4.936 3.351 ( 0.973 2.373 1.707) 3.081 4.008 ( 5.993 -0.593 -2.421) 6.491 4.125 ( -1.276 -4.300 9.879) 10.850 4.387 ( -2.132 -0.087 2.568) 3.339 4.666 ( -4.582 -2.522 -8.438) 9.928 5.065 ( 1.166 -3.892 6.751) 7.879 6.253 ( 1.419 -0.369 -5.807) 5.989 6.624 ( -2.442 -0.108 6.020) 6.497 7.096 ( 2.798 -1.048 -1.338) 3.274 7.619 ( -5.605 0.246 6.880) 8.878 9.299 ( -0.426 7.385 0.024) 7.398 10.046 ( -13.637 -6.280 4.440) 15.656 12.536 ( 7.067 1.796 -11.179) 13.347 12.761 ( 0.903 -2.093 2.866) 3.662 12.836 ( -6.512 -1.252 8.763) 10.990 16.314 ( 0.747 10.631 10.176) 14.735 16.820 ( -8.473 3.792 1.312) 9.376 17.885 ( -5.214 3.553 -1.469) 6.478 18.259 ( -6.003 0.476 -5.170) 7.937 ======================= Grid point 201 (92/366) ======================= q-point: (-0.09 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -14.377 -4.745 -9.542) 17.896 1.660 ( -0.162 1.277 5.310) 5.464 1.728 ( -4.707 -1.097 9.695) 10.833 2.367 ( 0.453 -1.269 -2.333) 2.694 3.005 ( -3.851 4.969 -0.922) 6.354 3.400 ( 3.152 -1.926 1.792) 4.105 3.941 ( -1.402 3.268 -12.471) 12.968 4.204 ( -4.822 -1.973 3.067) 6.046 4.399 ( 1.507 -3.604 0.267) 3.915 4.665 ( 4.818 -0.615 2.339) 5.391 5.186 ( 1.773 -0.394 7.356) 7.577 6.216 ( 3.184 -0.129 -8.066) 8.673 6.677 ( -2.719 -0.349 10.161) 10.525 7.144 ( 1.420 -1.817 1.489) 2.745 7.610 ( -5.972 -0.091 5.972) 8.446 9.226 ( -2.860 3.088 3.581) 5.526 9.961 ( -12.642 -4.524 -1.825) 13.551 12.491 ( 6.208 0.683 -11.678) 13.243 12.817 ( -3.457 -1.941 6.558) 7.663 12.867 ( -4.911 -1.811 7.474) 9.124 16.232 ( -4.139 11.761 6.115) 13.887 16.710 ( -4.436 2.577 1.768) 5.426 17.779 ( -4.538 -0.709 -2.684) 5.319 18.223 ( 2.391 0.668 2.808) 3.748 ======================= Grid point 209 (93/366) ======================= q-point: (-0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -4.766 0.000 4.674) 6.675 1.760 ( 4.192 -0.000 -11.886) 12.603 1.898 ( -13.409 0.000 -7.061) 15.154 2.083 ( 6.359 -0.000 13.137) 14.595 3.145 ( 1.937 -0.000 -6.139) 6.438 3.573 ( -4.355 0.000 6.071) 7.471 3.769 ( -0.011 0.000 10.615) 10.615 3.926 ( 9.066 -0.000 4.734) 10.228 4.367 ( -3.407 0.000 3.744) 5.062 4.688 ( 4.969 -0.000 5.517) 7.425 5.014 ( -12.264 0.000 -7.469) 14.359 6.266 ( -0.140 0.000 -1.350) 1.358 6.629 ( -3.717 0.000 1.295) 3.936 7.090 ( 2.978 -0.000 -5.924) 6.630 7.623 ( -5.126 0.000 6.755) 8.480 9.525 ( 6.455 -0.000 -4.367) 7.794 9.929 ( -14.191 0.000 13.366) 19.494 12.605 ( 7.046 -0.000 -11.429) 13.426 12.686 ( 3.334 -0.000 -2.116) 3.949 12.819 ( -7.822 0.000 8.702) 11.701 16.369 ( 4.151 -0.000 13.378) 14.007 16.993 ( -8.020 0.000 1.301) 8.125 18.040 ( -2.090 0.000 1.382) 2.505 18.488 ( -14.722 0.000 -11.143) 18.464 ======================= Grid point 210 (94/366) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -9.587 0.227 -11.738) 15.157 1.715 ( -6.949 0.715 2.505) 7.421 1.732 ( -3.736 0.508 1.889) 4.217 2.267 ( 4.656 -0.427 8.515) 9.714 3.132 ( 3.751 -0.928 -5.180) 6.463 3.505 ( -6.274 7.510 5.208) 11.085 3.903 ( -0.900 -6.958 8.750) 11.216 4.045 ( 4.681 -1.244 -1.266) 5.007 4.420 ( 0.943 2.163 9.018) 9.321 4.594 ( -9.471 -2.734 -13.539) 16.747 4.993 ( 3.554 -1.590 8.174) 9.054 6.238 ( 0.084 -0.520 -4.755) 4.784 6.624 ( -2.590 0.036 5.688) 6.250 7.084 ( 3.708 -0.155 -3.794) 5.307 7.620 ( -6.778 -0.075 7.261) 9.933 9.489 ( 1.692 6.413 -4.254) 7.879 9.889 ( -13.743 -5.393 6.220) 16.020 12.560 ( 5.440 0.366 -12.663) 13.787 12.724 ( 2.767 -0.853 0.876) 3.025 12.818 ( -7.116 -0.281 9.376) 11.774 16.520 ( 3.261 4.867 13.524) 14.738 16.893 ( -8.859 1.714 1.684) 9.179 17.992 ( -6.054 4.521 1.166) 7.646 18.221 ( -11.918 -2.995 -8.722) 15.070 ======================= Grid point 211 (95/366) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -16.085 -0.792 -10.002) 18.957 1.648 ( -12.421 -1.537 6.068) 13.909 1.743 ( 3.108 1.637 3.833) 5.199 2.346 ( -0.658 -0.360 0.798) 1.095 3.122 ( 0.392 3.185 -3.004) 4.396 3.396 ( -3.760 3.547 3.228) 6.094 4.017 ( -0.636 2.174 -9.220) 9.494 4.084 ( -2.100 -9.350 9.543) 13.524 4.279 ( -6.159 -3.101 -14.143) 15.734 4.659 ( 7.096 -0.240 12.399) 14.287 5.152 ( 4.364 -1.716 8.274) 9.510 6.196 ( 1.163 -1.094 -7.075) 7.253 6.672 ( -2.338 -0.040 10.014) 10.283 7.110 ( 3.691 -0.880 -1.496) 4.079 7.599 ( -8.126 -0.525 6.568) 10.462 9.361 ( -2.884 6.954 -1.743) 7.728 9.829 ( -12.319 -5.951 -0.693) 13.699 12.490 ( 4.082 -0.503 -13.799) 14.399 12.780 ( 0.440 -1.239 3.278) 3.532 12.833 ( -6.468 -0.720 9.515) 11.528 16.559 ( -1.326 12.523 11.539) 17.080 16.780 ( -7.127 2.680 2.366) 7.974 17.792 ( -10.702 2.965 -4.650) 12.039 18.171 ( -2.987 -5.469 2.672) 6.780 ======================= Grid point 212 (96/366) ======================= q-point: (-0.09 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -17.598 -3.382 -8.646) 19.896 1.576 ( -15.044 -4.194 6.902) 17.075 1.829 ( 2.740 0.157 8.149) 8.599 2.266 ( -6.763 -0.884 -9.406) 11.618 2.996 ( -5.529 5.232 -1.538) 7.766 3.421 ( 1.646 -2.916 2.906) 4.434 3.809 ( -4.767 3.867 -13.909) 15.204 4.135 ( -1.133 -0.908 -5.897) 6.073 4.325 ( 2.328 -10.875 2.645) 11.431 4.868 ( 9.120 3.364 12.323) 15.695 5.285 ( 2.861 -0.401 7.301) 7.851 6.165 ( 2.786 -1.550 -7.490) 8.141 6.750 ( -3.142 0.172 12.539) 12.928 7.158 ( 2.248 -1.142 0.660) 2.606 7.568 ( -8.445 -1.475 5.760) 10.328 9.254 ( -4.988 3.030 3.944) 7.044 9.722 ( -10.701 -4.957 -5.772) 13.130 12.413 ( 3.531 -1.965 -14.397) 14.954 12.823 ( -2.748 -1.021 5.693) 6.404 12.856 ( -6.051 -1.157 8.333) 10.363 16.382 ( -10.050 16.965 6.449) 20.746 16.724 ( -2.087 2.226 3.088) 4.341 17.656 ( -5.993 -3.434 -2.559) 7.366 18.297 ( 3.074 -5.276 9.544) 11.330 ======================= Grid point 221 (97/366) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -16.138 0.000 -8.393) 18.190 1.625 ( -15.169 0.000 6.693) 16.580 1.767 ( 3.934 -0.000 0.949) 4.047 2.343 ( -1.287 0.000 1.909) 2.302 3.148 ( 6.375 -0.000 -3.480) 7.263 3.524 ( -7.929 0.000 5.204) 9.484 3.869 ( -9.507 0.000 8.452) 12.721 4.044 ( 2.474 -0.000 -5.776) 6.283 4.258 ( -6.656 0.000 -20.417) 21.474 4.653 ( 7.664 -0.000 17.149) 18.784 5.127 ( 5.246 -0.000 8.260) 9.785 6.180 ( 0.384 -0.000 -6.727) 6.738 6.672 ( -2.157 0.000 9.996) 10.226 7.100 ( 4.446 -0.000 -2.913) 5.315 7.592 ( -8.848 0.000 6.748) 11.128 9.484 ( -0.307 0.000 -7.706) 7.712 9.723 ( -14.932 0.000 3.870) 15.425 12.481 ( 3.227 -0.000 -14.503) 14.858 12.762 ( 1.613 -0.000 2.154) 2.691 12.826 ( -6.693 0.000 9.979) 12.016 16.730 ( 3.035 -0.000 14.635) 14.946 16.817 ( -8.503 0.000 2.594) 8.889 17.913 ( -13.963 0.000 -10.808) 17.657 18.012 ( -6.602 0.000 7.021) 9.637 ======================= Grid point 222 (98/366) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -18.292 1.001 -6.331) 19.383 1.488 ( -20.071 -2.295 7.482) 21.543 1.840 ( 3.490 0.420 5.180) 6.260 2.249 ( -9.223 -0.449 -9.204) 13.037 3.171 ( 2.459 5.989 -1.727) 6.700 3.415 ( -5.945 4.760 3.171) 8.250 3.819 ( -12.589 -7.317 -4.517) 15.245 4.031 ( 1.546 -6.073 -4.843) 7.920 4.117 ( 3.806 -1.021 -5.716) 6.942 4.919 ( 8.600 0.965 16.975) 19.054 5.265 ( 4.294 -0.701 6.964) 8.212 6.128 ( 1.432 -1.003 -7.096) 7.308 6.756 ( -2.460 0.229 12.945) 13.179 7.136 ( 4.708 -0.559 -1.853) 5.090 7.538 ( -10.501 -0.684 6.221) 12.225 9.353 ( -4.289 3.864 -5.518) 7.986 9.602 ( -13.722 -4.056 0.757) 14.329 12.371 ( 2.254 -1.042 -15.743) 15.938 12.800 ( -0.104 -0.651 2.642) 2.723 12.843 ( -6.971 -0.104 10.425) 12.541 16.729 ( -7.927 4.366 4.600) 10.152 16.840 ( 0.422 9.379 12.298) 15.472 17.630 ( -11.208 1.977 -7.128) 13.429 18.081 ( -6.734 -10.106 11.112) 16.460 ======================= Grid point 223 (99/366) ======================= q-point: (-0.09 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -19.411 0.493 -4.096) 19.845 1.357 ( -22.383 -6.131 8.920) 24.863 1.911 ( -8.383 -0.343 0.418) 8.400 1.991 ( -7.094 -2.720 -10.694) 13.118 2.989 ( -7.293 9.939 -1.386) 12.405 3.434 ( 2.823 -3.010 2.031) 4.600 3.691 ( -2.414 1.719 -8.073) 8.600 4.037 ( 1.765 -3.622 -9.296) 10.131 4.264 ( 4.464 -10.647 2.587) 11.832 5.142 ( 7.413 3.458 13.043) 15.396 5.379 ( 2.657 -0.517 6.121) 6.693 6.111 ( 2.868 -2.136 -5.537) 6.591 6.846 ( -3.255 0.985 13.825) 14.237 7.184 ( 2.869 -0.215 -0.093) 2.879 7.489 ( -9.915 -2.261 6.543) 12.093 9.244 ( -4.308 -0.550 0.809) 4.417 9.491 ( -14.506 -3.201 3.550) 15.273 12.271 ( 2.766 -2.884 -15.659) 16.161 12.823 ( -1.642 -0.898 2.499) 3.122 12.858 ( -7.675 -0.149 10.620) 13.104 16.530 ( -13.025 19.802 6.760) 24.647 16.771 ( -3.622 5.780 4.094) 7.955 17.520 ( -4.211 -4.883 -1.520) 6.624 18.334 ( 0.571 -14.239 18.172) 23.093 ======================= Grid point 233 (100/366) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -19.046 0.000 -2.302) 19.185 1.268 ( -26.293 0.000 10.010) 28.134 1.918 ( -19.944 0.000 -20.591) 28.666 1.938 ( 2.129 -0.000 7.310) 7.614 3.273 ( 6.178 -0.000 -1.588) 6.379 3.417 ( -6.528 0.000 2.472) 6.980 3.563 ( -7.249 0.000 -3.344) 7.983 3.943 ( -0.526 0.000 -6.046) 6.069 4.136 ( 5.017 -0.000 -1.724) 5.305 5.183 ( 6.886 -0.000 15.399) 16.869 5.370 ( 3.365 -0.000 5.629) 6.558 6.081 ( 2.288 -0.000 -5.508) 5.964 6.861 ( -2.868 0.000 14.648) 14.926 7.179 ( 5.768 -0.000 -1.748) 6.027 7.458 ( -12.181 0.000 7.414) 14.260 9.236 ( -4.975 0.000 -10.076) 11.237 9.450 ( -17.706 0.000 13.991) 22.567 12.233 ( 2.217 -0.000 -16.367) 16.516 12.812 ( -0.913 0.000 2.035) 2.231 12.857 ( -7.561 0.000 10.570) 12.996 16.705 ( -5.898 0.000 3.948) 7.097 17.086 ( 2.650 -0.000 14.999) 15.231 17.426 ( -10.159 0.000 -8.264) 13.096 18.033 ( -12.911 0.000 22.705) 26.119 ======================= Grid point 234 (101/366) ======================= q-point: (-0.09 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -19.744 3.444 1.850) 20.128 1.076 ( -28.635 -5.288 13.609) 32.143 1.426 ( -27.023 -4.917 -22.686) 35.624 2.034 ( -0.292 -0.679 8.745) 8.776 3.064 ( -6.404 20.002 -2.487) 21.149 3.458 ( 4.776 -2.624 -0.049) 5.450 3.605 ( 3.186 -8.864 -5.224) 10.771 3.912 ( 0.959 -5.636 -7.393) 9.346 4.203 ( 4.610 -6.556 -5.586) 9.770 5.362 ( 4.067 2.343 9.865) 10.924 5.453 ( 1.818 -0.368 4.626) 4.984 6.084 ( 3.030 -1.557 -2.672) 4.329 6.960 ( -3.275 1.383 14.794) 15.215 7.226 ( 2.579 2.023 0.220) 3.285 7.408 ( -8.420 -2.947 6.270) 10.903 9.102 ( -3.072 -4.302 -11.578) 12.728 9.495 ( -21.818 0.387 53.493) 57.773 12.126 ( 3.776 -2.235 -15.318) 15.934 12.816 ( -1.400 -0.238 1.272) 1.907 12.862 ( -8.124 -0.068 10.180) 13.024 16.650 ( -6.284 7.509 4.724) 10.871 16.908 ( -11.943 27.785 5.376) 30.717 17.411 ( -0.324 -7.316 0.164) 7.325 18.340 ( -3.297 -21.543 35.515) 41.668 ======================= Grid point 245 (102/366) ======================= q-point: (-0.09 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( -17.717 0.000 6.752) 18.960 0.761 ( -30.484 0.000 -14.450) 33.735 0.893 ( -34.679 0.000 23.068) 41.651 2.091 ( -3.475 0.000 8.603) 9.279 3.265 ( 6.993 -0.000 -25.091) 26.047 3.318 ( -1.716 0.000 -1.787) 2.477 3.503 ( 4.054 -0.000 -4.256) 5.878 3.822 ( -0.803 0.000 -3.623) 3.711 4.104 ( -0.873 0.000 -9.980) 10.018 5.480 ( 0.985 -0.000 5.085) 5.179 5.500 ( 0.469 -0.000 2.516) 2.559 6.091 ( 2.339 -0.000 -1.105) 2.586 7.075 ( -4.514 0.000 16.031) 16.655 7.283 ( -8.542 0.000 -6.449) 10.703 7.316 ( 5.892 -0.000 0.388) 5.905 8.933 ( -2.874 0.000 -8.168) 8.659 10.310 ( 5.358 -0.000 159.810) 159.900 12.025 ( 5.731 -0.000 -13.745) 14.892 12.807 ( -0.940 0.000 0.148) 0.952 12.855 ( -8.333 0.000 9.288) 12.478 16.662 ( -3.639 0.000 2.955) 4.688 17.129 ( -4.213 0.000 -3.645) 5.571 17.364 ( 2.788 -0.000 3.456) 4.441 18.601 ( 2.139 -0.000 61.879) 61.916 ======================= Grid point 246 (103/366) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -1.336 0.000 22.107) 22.148 1.176 ( 3.339 -0.000 25.861) 26.075 1.988 ( -4.211 0.000 29.192) 29.494 2.166 ( -13.870 0.000 5.124) 14.786 2.642 ( 4.852 -0.000 8.327) 9.637 3.181 ( 4.174 -0.000 -5.598) 6.983 3.288 ( 5.221 -0.000 -7.981) 9.537 3.804 ( 5.423 -0.000 -0.059) 5.423 4.214 ( 1.457 -0.000 5.963) 6.139 5.402 ( -7.912 0.000 -3.986) 8.860 5.422 ( -5.075 0.000 -3.661) 6.258 5.933 ( 2.510 -0.000 -9.574) 9.898 6.643 ( -4.076 0.000 -5.449) 6.804 7.434 ( -2.577 0.000 2.525) 3.608 7.555 ( -9.906 0.000 15.571) 18.455 8.894 ( 14.222 -0.000 -1.315) 14.283 11.797 ( 11.478 -0.000 -8.064) 14.028 12.359 ( -10.073 0.000 -15.227) 18.257 13.021 ( -5.861 0.000 9.332) 11.020 15.067 ( 32.495 -0.000 -1.130) 32.515 15.800 (-117.485 0.000 5.237) 117.601 16.638 ( -4.584 0.000 0.744) 4.644 17.129 ( 7.010 -0.000 1.057) 7.090 17.339 ( -1.100 0.000 -2.820) 3.027 ======================= Grid point 247 (104/366) ======================= q-point: ( 0.09 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 0.793 -0.458 24.401) 24.419 1.492 ( 2.204 -5.102 23.564) 24.210 2.043 ( -11.290 0.689 4.755) 12.270 2.148 ( -1.259 3.343 15.474) 15.881 2.801 ( 7.734 3.384 5.168) 9.898 3.243 ( 2.867 -4.454 3.296) 6.238 3.316 ( 8.287 -6.769 -10.230) 14.804 3.897 ( 7.121 -2.047 1.015) 7.479 4.292 ( 1.783 -0.061 6.542) 6.781 5.181 ( -11.232 4.990 -6.172) 13.753 5.350 ( -7.718 -4.964 -5.014) 10.457 5.901 ( 6.001 -2.099 -10.970) 12.679 6.601 ( 0.398 -0.316 0.563) 0.758 7.397 ( -4.058 2.786 3.010) 5.769 7.586 ( -9.437 -1.543 12.830) 16.002 9.063 ( 14.975 1.356 -0.178) 15.038 11.857 ( 3.957 3.082 -6.846) 8.486 11.984 ( -23.061 0.160 -9.369) 24.892 13.054 ( -4.921 0.099 10.823) 11.890 14.117 ( -80.095 27.246 26.523) 88.663 15.739 ( 26.963 4.407 1.677) 27.372 16.614 ( -2.505 -2.999 -0.134) 3.910 17.318 ( 0.916 -3.162 -3.347) 4.695 17.426 ( 6.579 -23.558 -4.000) 24.784 ======================= Grid point 248 (105/366) ======================= q-point: ( 0.18 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 1.309 -0.205 24.324) 24.360 1.766 ( -3.093 -3.408 21.532) 22.019 1.976 ( -7.141 -0.275 4.855) 8.640 2.212 ( 2.143 1.738 4.639) 5.398 2.838 ( 5.815 3.791 -2.048) 7.237 3.319 ( 5.515 2.862 1.262) 6.341 3.484 ( 6.709 -13.249 -5.801) 15.944 4.036 ( 6.879 -3.873 1.309) 8.002 4.398 ( 2.489 -1.092 8.868) 9.275 4.915 ( -11.748 3.991 -7.825) 14.669 5.257 ( -9.040 -4.626 -4.921) 11.285 5.908 ( 7.646 -3.119 -11.835) 14.432 6.658 ( 1.877 -0.234 6.671) 6.934 7.340 ( -3.422 3.256 2.697) 5.439 7.613 ( -8.499 -2.320 10.980) 14.078 9.204 ( 12.868 3.496 -0.342) 13.339 11.353 ( -43.080 8.207 3.783) 44.017 12.013 ( 10.928 -3.366 -5.030) 12.492 13.097 ( -4.978 0.850 11.176) 12.264 13.438 ( -35.936 13.685 22.322) 44.462 15.942 ( 15.914 6.218 1.130) 17.123 16.640 ( -0.863 -4.255 -0.362) 4.356 17.366 ( 4.246 -4.982 -2.911) 7.164 17.725 ( 7.901 -17.712 -5.995) 20.300 ======================= Grid point 249 (106/366) ======================= q-point: ( 0.27 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 2.573 0.698 20.776) 20.946 1.892 ( -5.745 0.950 10.818) 12.286 1.950 ( -6.850 1.822 9.482) 11.838 2.268 ( 3.494 -2.195 -0.766) 4.196 2.850 ( 3.916 0.564 -1.513) 4.236 3.359 ( 6.344 2.871 0.002) 6.963 3.629 ( 4.335 -9.553 -7.627) 12.971 4.168 ( 5.374 -3.435 1.504) 6.553 4.529 ( -1.454 -1.249 9.885) 10.069 4.658 ( -7.282 2.575 -11.043) 13.476 5.171 ( -7.940 -4.497 -0.853) 9.165 5.929 ( 8.411 -3.367 -12.434) 15.385 6.764 ( 0.447 0.357 11.741) 11.755 7.291 ( -1.864 2.814 1.615) 3.742 7.652 ( -7.250 -3.234 9.700) 12.535 9.282 ( 9.534 5.044 -0.728) 10.811 10.830 ( -38.514 6.011 9.906) 40.219 12.142 ( 10.483 -3.215 -4.629) 11.902 13.117 ( -6.026 2.146 10.169) 12.014 13.191 ( -16.738 6.286 13.943) 22.673 16.029 ( 7.041 3.571 1.644) 8.064 16.672 ( -1.809 -3.310 0.285) 3.783 17.487 ( 7.649 -6.200 -1.866) 10.022 17.935 ( 7.914 -9.448 -4.342) 13.067 ======================= Grid point 250 (107/366) ======================= q-point: ( 0.36 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 3.148 5.147 9.477) 11.234 1.810 ( -7.984 4.359 5.053) 10.406 1.963 ( -5.096 1.819 11.146) 12.390 2.311 ( -0.921 -2.914 -1.877) 3.586 2.888 ( 2.205 -1.410 -0.115) 2.620 3.413 ( 7.038 1.991 0.637) 7.342 3.672 ( -0.522 -6.688 -9.227) 11.408 4.297 ( 4.865 -3.398 3.476) 6.877 4.396 ( -8.946 3.498 -7.236) 12.026 4.614 ( -0.707 -2.412 -0.478) 2.558 5.192 ( -2.531 -4.548 6.824) 8.582 5.952 ( 8.633 -2.918 -12.225) 15.247 6.874 ( -2.066 0.951 13.999) 14.183 7.258 ( -0.306 2.281 0.910) 2.475 7.697 ( -6.647 -3.446 8.214) 11.114 9.306 ( 6.592 5.001 -1.305) 8.377 10.450 ( -31.389 4.287 11.740) 33.786 12.241 ( 8.515 -1.882 -6.227) 10.715 13.077 ( -8.642 3.795 8.942) 13.002 13.115 ( -7.518 2.169 9.107) 12.007 16.072 ( 0.366 -0.641 2.095) 2.221 16.688 ( -1.854 -1.874 1.625) 3.097 17.644 ( 7.544 -5.334 -1.356) 9.338 18.087 ( 8.724 -3.563 0.084) 9.424 ======================= Grid point 251 (108/366) ======================= q-point: (-0.55 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -8.090 13.134 -3.757) 15.876 1.838 ( -2.935 2.495 8.678) 9.495 2.000 ( -0.415 1.347 7.169) 7.306 2.266 ( -8.304 -1.564 -0.769) 8.485 2.923 ( 0.863 -1.113 -0.265) 1.433 3.492 ( 7.342 1.622 1.488) 7.664 3.600 ( -6.397 -3.568 -8.950) 11.565 4.167 ( -5.278 3.850 -9.737) 11.726 4.425 ( 3.388 -1.847 -1.306) 4.074 4.673 ( 0.797 -7.366 5.969) 9.514 5.317 ( 0.927 -2.850 9.660) 10.115 5.976 ( 8.578 -1.932 -10.467) 13.670 6.952 ( -3.602 1.152 11.821) 12.411 7.248 ( 0.157 1.896 2.599) 3.221 7.720 ( -7.264 -2.440 6.043) 9.759 9.299 ( 5.172 3.811 -4.051) 7.595 10.181 ( -27.356 3.292 16.921) 32.334 12.262 ( 6.084 0.741 -9.540) 11.339 13.020 ( -6.382 2.618 6.067) 9.187 13.090 ( -6.706 1.772 8.798) 11.203 16.100 ( -5.445 -5.489 2.431) 8.104 16.712 ( -0.525 -0.912 2.925) 3.109 17.737 ( 3.281 -0.862 -1.816) 3.848 18.274 ( 12.110 -2.213 6.034) 13.710 ======================= Grid point 252 (109/366) ======================= q-point: (-0.45 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -10.255 13.969 -0.912) 17.353 1.776 ( -7.982 3.171 -2.158) 8.856 1.996 ( -2.719 1.174 -4.360) 5.271 2.197 ( -10.342 1.530 14.791) 18.113 2.924 ( -0.763 0.734 -0.454) 1.152 3.455 ( -6.497 -2.277 -8.897) 11.249 3.576 ( 5.729 2.562 3.227) 7.057 3.990 ( 0.125 2.753 -11.729) 12.048 4.405 ( -2.303 -0.470 -4.516) 5.091 4.912 ( 5.620 -10.142 8.516) 14.386 5.444 ( 1.363 -0.556 8.502) 8.629 6.011 ( 8.335 -0.633 -6.605) 10.654 6.987 ( -2.405 0.838 5.891) 6.418 7.268 ( -1.901 1.167 7.658) 7.976 7.690 ( -8.349 -0.845 3.041) 8.926 9.243 ( 4.051 3.255 -11.428) 12.554 10.065 ( -24.119 0.670 31.924) 40.016 12.190 ( 4.571 3.660 -12.484) 13.789 12.967 ( -5.205 2.153 3.484) 6.623 13.080 ( -6.376 1.085 9.100) 11.164 16.126 ( -10.115 -10.194 2.916) 14.654 16.751 ( 0.086 -0.638 3.512) 3.571 17.720 ( 0.102 3.651 -1.282) 3.871 18.539 ( 13.628 -1.636 9.915) 16.932 ======================= Grid point 253 (110/366) ======================= q-point: (-0.36 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -10.584 11.699 5.755) 16.793 1.509 ( -14.781 3.949 -13.352) 20.306 1.872 ( -12.067 3.595 5.701) 13.821 2.237 ( -6.050 2.563 16.487) 17.748 2.872 ( -2.822 3.140 -0.515) 4.253 3.357 ( -1.276 -3.391 -8.026) 8.806 3.629 ( 5.013 3.808 1.661) 6.510 3.871 ( 3.284 1.709 -12.062) 12.618 4.311 ( -3.773 0.676 -6.699) 7.718 5.169 ( 5.043 -9.141 5.220) 11.672 5.522 ( 0.807 1.009 5.618) 5.765 6.068 ( 6.984 0.700 -1.343) 7.146 6.999 ( 0.365 -0.157 0.759) 0.857 7.318 ( -6.046 -0.536 13.211) 14.538 7.598 ( -8.015 0.881 -1.071) 8.134 9.094 ( 1.285 3.492 -16.327) 16.746 10.247 ( -16.473 -5.782 52.831) 55.641 12.061 ( 4.836 5.581 -13.283) 15.198 12.906 ( -4.398 1.832 0.977) 4.864 13.078 ( -6.554 0.725 8.762) 10.966 16.161 ( -14.295 -14.755 3.638) 20.864 16.789 ( -1.025 -0.466 3.508) 3.684 17.645 ( -0.882 5.856 -0.456) 5.939 18.812 ( 12.267 0.058 10.822) 16.358 ======================= Grid point 254 (111/366) ======================= q-point: (-0.27 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -8.350 9.159 13.290) 18.173 1.124 ( -18.866 5.637 -8.078) 21.283 1.732 ( -17.805 5.764 15.526) 24.317 2.280 ( -6.766 0.939 12.308) 14.077 2.789 ( -1.874 4.010 -0.608) 4.468 3.338 ( 2.854 -3.332 -7.851) 8.994 3.619 ( 6.902 6.222 -8.125) 12.344 3.787 ( 2.592 1.227 -8.546) 9.015 4.184 ( -4.425 2.103 -3.999) 6.324 5.346 ( 3.495 -6.674 0.585) 7.556 5.553 ( 0.279 1.272 2.813) 3.100 6.122 ( 3.405 1.945 1.518) 4.205 7.019 ( 1.313 -2.116 -2.375) 3.441 7.372 ( -15.694 -4.677 15.358) 22.451 7.474 ( 0.195 5.100 -2.786) 5.815 8.907 ( 0.431 2.995 -14.647) 14.956 10.881 ( -1.144 -19.352 70.929) 73.531 11.940 ( 7.161 5.845 -10.146) 13.725 12.839 ( -3.569 0.894 -0.814) 3.769 13.068 ( -6.951 0.780 8.057) 10.669 16.213 ( -19.299 -20.745 4.734) 28.727 16.798 ( -3.398 0.103 3.287) 4.729 17.555 ( -0.966 6.192 -0.252) 6.272 19.020 ( 8.201 1.020 5.553) 9.957 ======================= Grid point 255 (112/366) ======================= q-point: (-0.18 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -8.320 8.580 11.567) 16.632 0.856 ( -12.368 6.721 16.883) 21.981 1.636 ( -18.727 3.154 25.046) 31.432 2.285 ( -8.917 -1.266 8.193) 12.175 2.717 ( -0.292 4.867 -1.396) 5.072 3.325 ( 0.674 -1.815 -7.499) 7.745 3.466 ( 9.396 11.023 -18.602) 23.575 3.752 ( 1.341 0.371 -2.120) 2.535 4.114 ( -2.549 1.409 3.651) 4.671 5.432 ( 0.933 -4.473 -2.188) 5.066 5.559 ( 0.213 1.052 0.663) 1.261 6.112 ( -0.627 3.048 -1.045) 3.283 6.982 ( -5.850 -2.516 -8.986) 11.013 7.336 ( -7.285 -3.002 5.987) 9.896 7.489 ( -2.579 2.834 12.458) 13.033 8.777 ( 3.539 1.704 -10.008) 10.751 11.717 ( 8.249 -6.679 0.966) 10.658 12.228 ( 26.227 -21.869 43.944) 55.652 12.842 ( 0.776 -7.282 14.048) 15.843 13.052 ( -6.047 0.603 8.674) 10.591 16.302 ( -27.003 -31.933 6.089) 42.261 16.766 ( -5.888 0.676 2.865) 6.583 17.468 ( -0.976 5.132 -0.944) 5.309 18.983 ( -7.664 6.020 -16.621) 19.268 ======================= Grid point 256 (113/366) ======================= q-point: (-0.09 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -7.740 3.379 17.923) 19.813 0.941 ( -0.037 7.145 27.252) 28.173 1.732 ( -11.542 -2.938 33.356) 35.419 2.253 ( -11.523 -1.713 6.927) 13.553 2.626 ( -0.400 5.759 -0.913) 5.845 3.231 ( 0.289 3.833 -6.070) 7.185 3.333 ( 7.753 4.263 -11.683) 14.655 3.760 ( 3.362 0.468 -1.123) 3.575 4.143 ( 0.217 0.256 6.212) 6.222 5.445 ( -2.975 -4.219 -2.963) 5.952 5.532 ( -1.395 2.517 -1.475) 3.234 6.023 ( -1.387 2.632 -6.034) 6.728 6.799 ( -8.460 -0.376 -10.098) 13.179 7.396 ( -1.490 -3.455 5.268) 6.474 7.531 ( -7.648 2.114 15.064) 17.026 8.773 ( 9.605 0.285 -4.827) 10.754 11.756 ( 9.787 0.634 -9.544) 13.685 12.538 ( 0.366 -1.678 -12.157) 12.278 13.017 ( -6.950 0.046 8.072) 10.652 14.031 ( 54.845 -34.766 36.041) 74.268 16.447 ( -48.954 -55.162 4.033) 73.862 16.700 ( -6.987 0.626 1.909) 7.270 17.390 ( -0.852 3.250 -2.252) 4.044 18.087 ( -48.523 44.030 -36.337) 74.923 ======================= Grid point 258 (114/366) ======================= q-point: ( 0.09 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 1.402 -0.000 24.956) 24.995 1.709 ( 0.612 -0.000 22.770) 22.779 1.972 ( -6.068 0.000 3.821) 7.171 2.237 ( -3.930 0.000 6.701) 7.769 3.026 ( 11.946 -0.000 -0.594) 11.961 3.176 ( 3.817 -0.000 -5.145) 6.406 3.360 ( 3.685 -0.000 4.809) 6.059 3.980 ( 7.181 -0.000 0.978) 7.247 4.387 ( 4.142 -0.000 6.110) 7.382 4.990 ( -15.716 0.000 -5.684) 16.712 5.169 ( -6.471 0.000 -6.638) 9.270 5.868 ( 8.300 -0.000 -11.771) 14.403 6.655 ( 2.327 -0.000 6.798) 7.185 7.385 ( -4.137 0.000 1.717) 4.479 7.581 ( -8.778 0.000 11.232) 14.255 9.251 ( 14.234 -0.000 -0.701) 14.251 11.458 ( -46.150 0.000 1.375) 46.170 11.969 ( 12.362 -0.000 -4.904) 13.299 13.108 ( -4.781 0.000 11.839) 12.768 13.635 ( -52.360 0.000 21.204) 56.490 16.092 ( 23.465 -0.000 -6.626) 24.383 16.568 ( -0.735 0.000 0.273) 0.784 17.313 ( 5.731 -0.000 -3.443) 6.686 17.428 ( 13.451 -0.000 3.319) 13.854 ======================= Grid point 259 (115/366) ======================= q-point: ( 0.18 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 0.869 0.030 23.208) 23.224 1.905 ( -4.144 0.212 19.865) 20.293 1.979 ( -1.121 0.365 6.677) 6.781 2.225 ( -2.856 -0.993 0.015) 3.024 2.990 ( 8.369 10.358 -5.938) 14.580 3.305 ( 6.841 -11.739 -10.091) 16.925 3.452 ( 0.100 -0.064 8.982) 8.983 4.087 ( 6.226 -2.262 0.908) 6.686 4.509 ( 6.352 -0.315 3.954) 7.489 4.728 ( -14.616 2.344 -5.430) 15.767 5.058 ( -7.130 -3.536 -3.098) 8.540 5.868 ( 9.149 -1.355 -12.088) 15.220 6.771 ( 1.107 0.175 12.144) 12.196 7.341 ( -3.393 1.155 0.709) 3.653 7.591 ( -7.004 -1.435 9.119) 11.588 9.382 ( 11.563 2.402 -2.139) 12.002 10.933 ( -44.620 2.170 9.917) 45.760 12.083 ( 11.425 -1.337 -3.687) 12.079 13.153 ( -5.899 0.770 11.358) 12.822 13.314 ( -26.287 2.929 13.732) 29.802 16.184 ( 11.100 6.358 -5.862) 14.071 16.602 ( 1.811 -2.249 0.800) 2.996 17.391 ( 10.396 -1.351 -2.497) 10.777 17.696 ( 14.743 -7.752 2.249) 16.808 ======================= Grid point 260 (116/366) ======================= q-point: ( 0.27 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 1.101 0.181 19.008) 19.041 1.958 ( -1.627 5.788 5.902) 8.425 2.020 ( -7.895 2.409 14.219) 16.441 2.224 ( -0.455 -3.862 -2.155) 4.445 2.933 ( 6.857 5.390 -4.637) 9.878 3.393 ( 6.255 -6.737 -9.959) 13.553 3.524 ( -2.366 -2.081 5.354) 6.212 4.203 ( 5.311 -3.620 1.389) 6.575 4.478 ( -13.626 2.952 -2.543) 14.173 4.576 ( 3.605 -0.711 -7.275) 8.150 5.064 ( -2.660 -4.988 7.490) 9.384 5.888 ( 9.340 -2.090 -11.720) 15.131 6.895 ( -2.117 0.720 15.133) 15.297 7.296 ( -1.831 0.943 -0.345) 2.088 7.622 ( -5.078 -2.420 7.369) 9.271 9.431 ( 8.094 4.326 -3.611) 9.862 10.527 ( -36.181 1.970 12.987) 38.492 12.196 ( 9.579 -1.521 -3.839) 10.431 13.151 ( -13.098 2.129 8.781) 15.912 13.162 ( -8.136 1.520 9.715) 12.763 16.147 ( 3.385 5.144 -4.141) 7.421 16.661 ( 2.655 -0.468 2.197) 3.478 17.537 ( 11.699 -2.745 -1.541) 12.115 17.978 ( 14.547 -4.995 2.561) 15.592 ======================= Grid point 261 (117/366) ======================= q-point: ( 0.36 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -4.452 11.290 -0.272) 12.139 1.899 ( -3.525 2.263 13.932) 14.548 2.029 ( -1.712 1.095 6.244) 6.566 2.227 ( -4.221 -1.408 0.876) 4.535 2.931 ( 5.103 1.975 -2.229) 5.908 3.443 ( 3.824 -6.358 -10.675) 13.000 3.552 ( -2.942 0.231 6.600) 7.230 4.255 ( -9.797 3.054 -4.374) 11.155 4.342 ( 5.918 -4.295 -0.954) 7.374 4.528 ( -2.529 -4.014 -4.728) 6.698 5.225 ( 2.119 -4.084 11.936) 12.792 5.921 ( 9.153 -2.278 -10.084) 13.808 6.983 ( -4.901 1.259 14.027) 14.912 7.272 ( -0.880 0.227 0.327) 0.966 7.660 ( -3.998 -2.271 5.350) 7.054 9.412 ( 5.457 4.678 -5.745) 9.201 10.244 ( -29.443 1.766 15.834) 33.477 12.266 ( 7.274 -0.262 -5.807) 9.311 13.067 ( -8.487 1.216 5.423) 10.145 13.138 ( -7.351 1.952 8.812) 11.640 16.075 ( -2.003 2.344 -2.459) 3.944 16.720 ( 3.325 1.375 3.376) 4.934 17.689 ( 9.208 -2.332 -1.291) 9.586 18.232 ( 14.981 -1.534 5.495) 16.031 ======================= Grid point 262 (118/366) ======================= q-point: (-0.55 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -8.370 14.323 -0.922) 16.615 1.858 ( -6.712 3.915 -1.205) 7.863 2.037 ( -0.269 2.042 -2.300) 3.087 2.223 ( -6.065 0.959 14.109) 15.387 2.956 ( 4.508 1.521 -0.690) 4.808 3.396 ( -5.143 -2.855 -7.663) 9.660 3.616 ( 3.200 0.470 6.177) 6.972 4.060 ( -4.679 2.982 -8.671) 10.294 4.353 ( -3.315 -3.097 -7.508) 8.772 4.652 ( 4.369 -10.441 6.202) 12.906 5.408 ( 2.555 -2.116 10.896) 11.390 5.975 ( 8.839 -2.057 -6.687) 11.273 7.016 ( -4.663 1.436 8.683) 9.960 7.274 ( -3.028 -0.541 4.141) 5.159 7.671 ( -3.919 -0.754 2.592) 4.759 9.338 ( 4.271 4.145 -11.110) 12.604 10.084 ( -25.315 0.701 24.841) 35.474 12.262 ( 5.567 2.175 -8.615) 10.486 13.008 ( -5.886 1.095 3.049) 6.719 13.113 ( -6.850 1.524 8.549) 11.060 16.003 ( -5.734 -0.716 -0.404) 5.792 16.772 ( 3.282 2.246 3.623) 5.380 17.773 ( 4.895 0.742 -1.289) 5.116 18.502 ( 15.763 -0.905 8.566) 17.963 ======================= Grid point 263 (119/366) ======================= q-point: (-0.45 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -9.768 13.983 1.800) 17.151 1.629 ( -7.683 6.843 -12.410) 16.121 1.962 ( -6.709 3.861 4.459) 8.933 2.292 ( -5.201 1.944 15.446) 16.413 2.981 ( 4.408 4.247 1.304) 6.259 3.286 ( -5.243 -1.803 -5.509) 7.816 3.703 ( 3.686 1.711 4.556) 6.105 3.910 ( 0.347 1.589 -11.070) 11.189 4.260 ( -6.311 -4.080 -7.694) 10.755 4.912 ( 5.042 -11.389 5.708) 13.701 5.535 ( 1.245 0.037 7.744) 7.844 6.058 ( 7.982 -1.405 -2.098) 8.372 7.015 ( -1.834 1.137 3.076) 3.757 7.280 ( -8.679 -1.824 8.275) 12.130 7.633 ( -3.250 1.436 -0.056) 3.553 9.192 ( 2.838 4.289 -16.884) 17.650 10.128 ( -20.372 -3.848 39.525) 44.632 12.190 ( 5.241 4.721 -10.465) 12.620 12.948 ( -4.584 1.416 0.639) 4.840 13.099 ( -6.588 0.940 8.384) 10.704 15.948 ( -8.686 -3.497 1.796) 9.534 16.813 ( 2.395 2.426 3.396) 4.812 17.771 ( 1.751 4.113 -0.819) 4.545 18.788 ( 14.183 -1.231 8.710) 16.689 ======================= Grid point 264 (120/366) ======================= q-point: (-0.36 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -7.908 10.456 8.512) 15.631 1.308 ( -7.688 11.276 -9.610) 16.692 1.866 ( -10.889 4.986 9.174) 15.086 2.320 ( -7.841 2.625 12.045) 14.610 2.968 ( 1.864 8.854 4.863) 10.272 3.243 ( 1.672 -3.964 -6.239) 7.578 3.734 ( 3.719 3.327 -1.876) 5.331 3.812 ( 3.126 0.612 -11.027) 11.477 4.165 ( -6.162 -3.449 -4.583) 8.418 5.139 ( 3.627 -10.025 2.630) 10.981 5.587 ( -0.394 1.423 4.212) 4.463 6.149 ( 5.410 0.031 0.977) 5.497 7.008 ( 1.216 0.769 -1.506) 2.082 7.254 ( -15.673 -4.034 9.442) 18.737 7.577 ( -0.863 3.114 0.959) 3.371 8.999 ( 2.339 4.402 -16.954) 17.672 10.470 ( -13.992 -13.593 53.481) 56.928 12.090 ( 6.235 6.096 -9.883) 13.180 12.872 ( -3.679 1.568 -1.987) 4.466 13.088 ( -6.729 0.731 7.965) 10.453 15.906 ( -12.143 -5.555 4.083) 13.964 16.833 ( 0.682 2.674 3.076) 4.132 17.711 ( 0.075 6.152 -0.378) 6.164 19.015 ( 9.295 -0.856 4.196) 10.234 ======================= Grid point 265 (121/366) ======================= q-point: (-0.27 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -10.818 7.572 3.498) 13.660 1.053 ( 2.585 13.620 14.631) 20.156 1.758 ( -13.705 5.686 13.908) 20.337 2.277 ( -9.665 1.779 7.822) 12.561 2.923 ( 0.697 10.108 6.758) 12.178 3.260 ( 2.562 -3.014 -7.104) 8.131 3.666 ( 11.906 4.779 -20.312) 24.024 3.766 ( 0.107 0.615 -0.728) 0.959 4.124 ( -4.044 -1.137 3.210) 5.287 5.289 ( 1.622 -7.402 -0.753) 7.615 5.585 ( -1.474 1.295 1.914) 2.741 6.184 ( 1.531 2.308 -0.321) 2.789 6.960 ( -2.688 0.994 -6.959) 7.526 7.216 ( -12.289 -5.714 9.054) 16.299 7.566 ( -1.447 2.755 6.705) 7.392 8.842 ( 4.336 3.565 -12.649) 13.839 11.153 ( -6.477 -28.834 55.319) 62.718 12.040 ( 7.701 3.062 -1.886) 8.500 12.791 ( -2.941 0.523 -2.426) 3.848 13.070 ( -6.868 0.742 7.660) 10.315 15.858 ( -17.234 -6.893 6.770) 19.758 16.819 ( -1.533 3.346 2.667) 4.545 17.621 ( -0.921 6.927 -0.539) 7.009 19.069 ( 0.109 1.786 -7.304) 7.520 ======================= Grid point 266 (122/366) ======================= q-point: (-0.18 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -7.810 9.186 12.308) 17.230 1.177 ( 4.806 10.095 23.992) 26.469 1.707 ( -10.557 1.839 19.442) 22.200 2.214 ( -9.907 -0.111 6.275) 11.727 2.849 ( -0.747 10.770 3.534) 11.360 3.227 ( -1.144 -1.993 -5.786) 6.226 3.554 ( 15.529 8.554 -20.035) 26.753 3.781 ( 3.596 1.092 0.907) 3.866 4.149 ( -1.847 -0.026 7.419) 7.645 5.337 ( -2.601 -4.748 -3.578) 6.489 5.567 ( -1.439 0.591 0.232) 1.573 6.120 ( -0.750 4.427 -4.643) 6.459 6.800 ( -6.909 0.993 -8.433) 10.947 7.274 ( -5.289 -6.003 7.951) 11.279 7.586 ( -4.958 2.049 10.730) 11.997 8.793 ( 8.632 1.570 -6.617) 10.989 11.719 ( 5.011 -9.058 1.575) 10.470 12.324 ( -2.703 -20.138 10.306) 22.783 12.897 ( -1.865 -18.153 26.539) 32.207 13.080 ( -4.879 -6.162 14.087) 16.131 15.772 ( -24.461 -6.693 9.828) 27.197 16.765 ( -3.306 4.042 1.965) 5.579 17.512 ( -1.439 6.615 -1.440) 6.921 18.753 ( -13.618 14.481 -23.575) 30.837 ======================= Grid point 267 (123/366) ======================= q-point: (-0.09 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -3.586 4.047 21.291) 21.967 1.330 ( 2.472 9.932 24.121) 26.203 1.874 ( -2.035 -5.820 23.382) 24.181 2.150 ( -11.010 -0.467 5.256) 12.209 2.744 ( 1.072 7.520 1.958) 7.844 3.210 ( 0.752 -1.153 -0.821) 1.603 3.438 ( 12.000 11.307 -13.710) 21.444 3.832 ( 6.434 2.223 0.819) 6.856 4.213 ( 0.169 -0.018 7.466) 7.468 5.287 ( -7.130 -4.562 -5.248) 9.960 5.513 ( -4.208 2.525 -2.251) 5.399 5.994 ( 1.333 4.527 -8.844) 10.025 6.651 ( -3.808 0.774 -5.202) 6.493 7.355 ( -4.060 -5.178 5.562) 8.616 7.594 ( -8.078 2.065 12.496) 15.022 8.883 ( 13.005 -0.671 -1.901) 13.160 11.802 ( 9.553 -0.649 -7.328) 12.057 12.296 ( -13.521 -5.973 -12.779) 19.540 13.023 ( -6.055 0.014 9.450) 11.223 13.904 ( -25.247 -63.834 38.935) 78.919 15.615 ( -19.695 1.176 10.947) 22.564 16.687 ( -3.360 3.807 0.908) 5.158 17.403 ( -1.015 5.178 -2.677) 5.917 17.994 ( -13.347 35.394 -22.792) 44.163 ======================= Grid point 270 (124/366) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 0.672 -0.000 19.871) 19.882 2.033 ( -8.881 0.000 20.083) 21.959 2.071 ( 4.037 -0.000 6.677) 7.802 2.153 ( -4.071 0.000 -3.410) 5.311 3.107 ( 9.359 -0.000 -14.675) 17.405 3.183 ( 4.695 -0.000 -4.698) 6.641 3.521 ( -3.735 0.000 9.568) 10.271 4.152 ( 5.475 -0.000 0.707) 5.521 4.521 ( -15.512 0.000 -1.749) 15.611 4.569 ( 5.324 -0.000 -9.493) 10.884 4.993 ( -1.600 0.000 8.149) 8.305 5.861 ( 9.563 -0.000 -11.522) 14.974 6.905 ( -2.130 0.000 15.602) 15.746 7.308 ( -2.488 0.000 -1.066) 2.707 7.590 ( -4.449 0.000 7.147) 8.418 9.488 ( 8.696 -0.000 -4.872) 9.968 10.550 ( -38.198 0.000 13.551) 40.531 12.176 ( 10.025 -0.000 -3.030) 10.473 13.177 ( -16.039 0.000 8.350) 18.082 13.182 ( -7.368 0.000 10.246) 12.620 16.229 ( 2.803 -0.000 -8.186) 8.653 16.657 ( 5.266 -0.000 3.127) 6.124 17.510 ( 13.467 -0.000 -2.712) 13.738 17.898 ( 17.923 -0.000 5.603) 18.779 ======================= Grid point 271 (125/366) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 0.587 0.791 15.077) 15.109 2.009 ( -7.908 1.460 -2.615) 8.457 2.084 ( -6.109 4.093 12.662) 14.643 2.197 ( 1.271 -1.257 5.460) 5.745 3.024 ( 7.347 5.125 -9.541) 13.087 3.257 ( 4.778 -7.427 -7.992) 11.910 3.558 ( -4.651 0.143 9.783) 10.833 4.236 ( 3.627 -2.363 1.202) 4.492 4.327 ( -12.245 1.480 -0.221) 12.336 4.469 ( -0.978 -1.133 -14.518) 14.595 5.147 ( 4.383 -1.849 13.597) 14.406 5.878 ( 9.363 -0.983 -9.813) 13.599 7.007 ( -5.977 0.575 16.091) 17.175 7.270 ( -0.821 -0.155 -2.295) 2.442 7.619 ( -2.152 -0.924 5.473) 5.953 9.499 ( 5.228 2.000 -7.628) 9.461 10.269 ( -30.569 0.416 15.552) 34.300 12.258 ( 8.046 -0.238 -3.651) 8.839 13.085 ( -9.726 0.348 5.139) 11.006 13.174 ( -7.893 0.800 8.704) 11.776 16.145 ( -1.480 2.066 -6.635) 7.105 16.759 ( 6.052 1.247 4.290) 7.522 17.651 ( 12.474 -0.619 -2.234) 12.687 18.194 ( 18.425 -1.199 6.670) 19.632 ======================= Grid point 272 (126/366) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -12.448 2.864 -7.626) 14.877 2.012 ( -6.610 7.198 12.023) 15.494 2.086 ( 3.347 1.984 0.095) 3.892 2.255 ( -1.995 1.622 10.468) 10.779 2.998 ( 6.477 2.019 -4.330) 8.049 3.302 ( 1.070 -4.576 -6.157) 7.746 3.610 ( -2.148 -0.573 9.811) 10.059 4.130 ( -10.246 2.425 -3.000) 10.948 4.284 ( -2.059 -1.932 -11.315) 11.662 4.430 ( 2.807 -7.226 2.768) 8.231 5.358 ( 4.786 -1.638 12.634) 13.609 5.926 ( 8.884 -1.676 -6.559) 11.169 7.052 ( -7.326 1.330 12.494) 14.545 7.252 ( -0.822 -1.015 -1.085) 1.698 7.654 ( -1.318 -0.580 3.463) 3.751 9.427 ( 2.861 2.792 -10.979) 11.684 10.095 ( -24.999 0.212 19.749) 31.859 12.299 ( 6.387 0.918 -5.399) 8.413 13.024 ( -6.275 0.299 2.814) 6.884 13.147 ( -7.308 1.067 7.614) 10.607 16.033 ( -3.822 2.051 -3.827) 5.785 16.845 ( 5.387 3.123 4.416) 7.634 17.773 ( 9.264 -0.336 -1.835) 9.450 18.492 ( 17.470 -0.143 7.883) 19.167 ======================= Grid point 273 (127/366) ======================= q-point: (-0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -15.825 3.332 -7.787) 17.949 1.887 ( -2.231 12.295 -0.372) 12.501 2.059 ( -2.811 3.809 1.890) 5.097 2.334 ( -1.981 1.510 13.065) 13.300 3.040 ( 7.205 0.709 -1.103) 7.324 3.273 ( -3.427 0.158 -1.754) 3.853 3.707 ( 0.706 -1.067 8.632) 8.726 3.954 ( -4.660 2.101 -8.013) 9.504 4.152 ( -7.750 -4.086 -9.242) 12.735 4.638 ( 4.847 -10.329 5.222) 12.548 5.528 ( 2.810 -0.436 9.803) 10.207 6.011 ( 8.142 -2.090 -2.137) 8.673 7.048 ( -5.215 1.548 6.973) 8.844 7.242 ( -4.325 -1.347 1.552) 4.789 7.659 ( -1.531 0.717 1.378) 2.181 9.291 ( 2.078 3.479 -15.257) 15.786 10.056 ( -20.835 -2.139 28.645) 35.485 12.286 ( 5.736 3.049 -7.377) 9.830 12.971 ( -4.578 0.483 0.505) 4.631 13.121 ( -6.626 0.802 7.073) 9.725 15.936 ( -5.162 1.398 -0.401) 5.363 16.899 ( 4.306 4.215 3.919) 7.188 17.840 ( 5.479 1.605 -1.521) 5.908 18.771 ( 15.128 -0.110 7.860) 17.048 ======================= Grid point 274 (128/366) ======================= q-point: (-0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -13.953 2.644 -1.830) 14.318 1.675 ( 0.293 15.932 -3.996) 16.428 1.981 ( -7.520 4.509 6.007) 10.628 2.390 ( -3.969 2.602 10.135) 11.191 3.131 ( 8.816 -0.115 -0.398) 8.826 3.200 ( -3.746 4.484 2.883) 6.516 3.782 ( -0.016 0.725 2.491) 2.594 3.821 ( 0.454 0.305 -10.725) 10.739 4.044 ( -8.012 -5.718 -2.993) 10.288 4.872 ( 3.703 -11.310 3.946) 12.538 5.619 ( 0.036 1.084 6.031) 6.128 6.125 ( 6.431 -1.775 1.378) 6.813 7.034 ( -1.822 1.082 2.638) 3.384 7.193 ( -9.683 -1.076 2.330) 10.018 7.634 ( -1.703 1.722 1.514) 2.856 9.111 ( 2.711 4.455 -16.761) 17.554 10.211 ( -16.970 -7.904 38.792) 43.073 12.229 ( 6.020 5.075 -8.415) 11.524 12.904 ( -3.774 0.899 -2.214) 4.467 13.102 ( -6.453 0.423 6.832) 9.407 15.866 ( -6.080 1.011 3.160) 6.926 16.925 ( 3.020 4.616 3.382) 6.471 17.840 ( 2.518 4.098 -1.121) 4.939 18.997 ( 10.436 -0.434 4.639) 11.429 ======================= Grid point 275 (129/366) ======================= q-point: (-0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -5.958 2.059 8.024) 10.204 1.455 ( 1.828 16.690 -0.565) 16.799 1.886 ( -10.583 4.914 9.357) 14.957 2.362 ( -6.484 4.227 6.339) 10.005 3.138 ( -2.309 3.809 3.544) 5.692 3.224 ( 7.085 3.452 0.035) 7.881 3.711 ( 7.693 -0.554 -19.237) 20.725 3.774 ( -3.363 -0.171 2.154) 3.997 4.059 ( -3.404 -3.652 6.352) 8.079 5.068 ( 1.790 -10.388 1.755) 10.686 5.625 ( -2.580 1.879 2.855) 4.282 6.214 ( 3.454 0.043 1.068) 3.615 7.015 ( 1.217 2.755 -5.944) 6.664 7.095 ( -13.620 -3.467 6.896) 15.655 7.618 ( -2.550 1.625 5.079) 5.911 8.946 ( 4.839 4.761 -14.133) 15.679 10.587 ( -14.262 -17.323 45.950) 51.136 12.160 ( 6.676 5.652 -7.255) 11.364 12.815 ( -3.152 1.077 -4.447) 5.556 13.083 ( -6.686 0.288 6.753) 9.507 15.818 ( -7.107 1.681 6.534) 9.799 16.923 ( 1.309 5.002 2.916) 5.937 17.785 ( 0.545 6.093 -0.891) 6.182 19.096 ( 3.079 0.704 -2.641) 4.117 ======================= Grid point 276 (130/366) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -3.608 8.848 6.505) 11.559 1.400 ( 6.724 8.714 14.934) 18.552 1.794 ( -11.095 4.560 11.944) 16.928 2.272 ( -7.178 4.371 4.401) 9.486 3.099 ( -0.409 8.072 3.374) 8.758 3.189 ( -1.369 0.440 -5.426) 5.614 3.668 ( 13.566 1.129 -17.045) 21.814 3.799 ( 3.663 -0.142 2.733) 4.573 4.136 ( -2.296 -1.014 10.003) 10.313 5.190 ( -1.084 -7.699 -1.407) 7.901 5.582 ( -4.112 0.960 1.173) 4.382 6.213 ( 0.865 2.879 -2.927) 4.196 6.856 ( -6.096 3.248 -7.651) 10.308 7.125 ( -4.880 -5.461 7.001) 10.131 7.627 ( -4.670 1.319 9.039) 10.259 8.857 ( 7.767 3.655 -8.876) 12.348 11.132 ( -14.364 -27.528 40.943) 51.385 12.132 ( 5.308 2.632 -2.669) 6.498 12.742 ( -1.970 -0.745 -0.686) 2.215 13.063 ( -6.904 0.218 7.028) 9.855 15.772 ( -7.940 3.657 9.348) 12.799 16.887 ( -0.726 5.684 2.362) 6.198 17.690 ( -0.736 7.389 -1.197) 7.522 18.973 ( -5.583 5.412 -12.981) 15.132 ======================= Grid point 277 (131/366) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -4.182 7.985 13.328) 16.090 1.572 ( 2.209 8.748 22.305) 24.061 1.790 ( -1.546 -1.132 12.386) 12.533 2.178 ( -7.427 2.958 3.862) 8.878 2.957 ( -2.088 8.959 -3.260) 9.760 3.170 ( 1.685 -1.466 -1.890) 2.926 3.650 ( 11.669 4.822 -11.753) 17.250 3.895 ( 9.282 2.076 1.349) 9.606 4.218 ( -1.677 0.560 11.466) 11.601 5.187 ( -5.951 -4.170 -5.241) 8.960 5.534 ( -4.421 -0.464 -0.438) 4.467 6.120 ( 0.803 5.068 -7.396) 9.002 6.690 ( -3.915 2.469 -5.147) 6.922 7.212 ( -3.593 -6.087 6.125) 9.353 7.638 ( -6.937 1.576 11.362) 13.405 8.881 ( 10.545 0.919 -3.571) 11.172 11.558 ( -14.757 -23.171 14.426) 31.029 12.132 ( -3.282 -1.587 -3.541) 5.082 12.886 ( -4.666 -14.357 22.318) 26.944 13.057 ( -7.070 -2.050 9.057) 11.671 15.720 ( -5.620 6.153 10.455) 13.370 16.814 ( -2.290 6.185 1.559) 6.777 17.568 ( -0.998 7.812 -2.085) 8.147 18.580 ( -10.080 14.914 -20.457) 27.249 ======================= Grid point 278 (132/366) ======================= q-point: (-0.09 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -1.212 2.773 21.981) 22.188 1.658 ( -3.525 6.978 21.925) 23.277 1.981 ( -0.505 -3.389 12.624) 13.080 2.103 ( -1.884 1.009 2.338) 3.168 2.829 ( 0.820 5.104 -2.083) 5.574 3.217 ( 4.720 -2.305 -0.946) 5.337 3.597 ( 9.475 9.435 -8.364) 15.772 3.980 ( 8.536 3.923 1.205) 9.471 4.304 ( -0.235 1.175 10.932) 10.998 5.072 ( -9.380 -3.602 -7.569) 12.580 5.443 ( -7.246 1.828 -3.196) 8.127 5.994 ( 4.131 5.034 -10.540) 12.389 6.619 ( -0.162 1.190 0.357) 1.253 7.293 ( -3.372 -5.197 4.645) 7.744 7.635 ( -8.392 2.174 11.906) 14.728 9.013 ( 12.421 -2.169 -0.558) 12.622 11.624 ( -26.263 -16.035 1.342) 30.801 12.030 ( 1.553 3.733 -6.674) 7.803 13.048 ( -5.404 -0.473 10.346) 11.682 13.319 ( -26.385 -27.650 30.819) 49.097 15.733 ( 5.967 3.767 7.779) 10.502 16.721 ( -2.277 5.591 0.508) 6.058 17.446 ( 0.457 7.078 -3.003) 7.702 18.061 ( -3.484 21.984 -16.828) 27.904 ======================= Grid point 282 (133/366) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -12.843 0.000 -9.212) 15.805 2.083 ( 2.317 -0.000 8.288) 8.605 2.140 ( -10.535 0.000 15.068) 18.386 2.281 ( 3.754 -0.000 4.228) 5.654 3.036 ( 6.334 -0.000 -9.616) 11.514 3.225 ( 4.595 -0.000 -2.473) 5.218 3.602 ( -4.281 0.000 11.026) 11.828 4.160 ( -13.148 0.000 1.580) 13.243 4.278 ( -2.381 0.000 -17.463) 17.625 4.320 ( 3.826 -0.000 3.668) 5.300 5.337 ( 5.899 -0.000 13.202) 14.460 5.904 ( 8.846 -0.000 -6.495) 10.974 7.071 ( -9.091 0.000 15.278) 17.778 7.237 ( 1.112 -0.000 -4.439) 4.576 7.646 ( -0.458 0.000 3.900) 3.927 9.463 ( 2.133 -0.000 -11.027) 11.231 10.097 ( -24.632 0.000 17.967) 30.489 12.310 ( 6.723 -0.000 -4.162) 7.907 13.027 ( -6.433 0.000 2.724) 6.986 13.161 ( -7.515 0.000 7.225) 10.425 16.063 ( -3.533 0.000 -5.303) 6.372 16.890 ( 5.918 -0.000 4.990) 7.741 17.768 ( 10.901 -0.000 -2.601) 11.207 18.490 ( 18.467 -0.000 7.924) 20.095 ======================= Grid point 283 (134/366) ======================= q-point: (-0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -16.356 0.504 -10.077) 19.218 2.118 ( -9.079 5.191 12.879) 16.591 2.129 ( 2.670 1.685 -4.449) 5.456 2.365 ( 1.319 0.802 8.075) 8.221 3.042 ( 5.013 -0.134 -2.848) 5.767 3.268 ( 3.177 -0.474 -0.574) 3.263 3.679 ( -1.749 -0.752 11.687) 11.841 4.004 ( -11.413 1.412 -0.875) 11.533 4.082 ( -4.954 -1.365 -14.758) 15.627 4.442 ( 4.375 -4.763 4.409) 7.828 5.520 ( 4.080 -0.188 10.977) 11.712 5.971 ( 7.971 -0.964 -2.098) 8.299 7.083 ( -9.289 0.978 11.945) 15.164 7.214 ( 1.349 -0.772 -4.705) 4.955 7.670 ( -0.527 0.196 2.025) 2.101 9.351 ( 0.880 1.307 -13.515) 13.607 10.021 ( -20.079 -0.714 22.297) 30.014 12.337 ( 6.140 1.063 -5.291) 8.174 12.976 ( -4.572 0.049 0.392) 4.589 13.135 ( -6.691 0.304 6.018) 9.004 15.972 ( -4.120 1.011 -1.964) 4.675 16.988 ( 4.522 2.283 4.750) 6.944 17.860 ( 8.243 0.271 -2.556) 8.634 18.774 ( 15.515 0.159 7.386) 17.184 ======================= Grid point 284 (135/366) ======================= q-point: (-0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -15.129 0.485 -4.763) 15.869 2.003 ( 0.256 9.684 -4.840) 10.829 2.082 ( -6.202 3.694 6.025) 9.403 2.436 ( -0.931 1.057 7.438) 7.570 3.097 ( 3.674 -0.950 0.626) 3.846 3.303 ( 3.227 2.030 3.049) 4.881 3.785 ( -1.663 -0.212 9.655) 9.800 3.841 ( -1.922 1.556 -11.929) 12.182 3.920 ( -10.529 -3.832 -2.190) 11.417 4.617 ( 3.449 -8.621 4.202) 10.192 5.640 ( 0.759 0.613 7.757) 7.818 6.077 ( 6.465 -1.776 1.797) 6.941 7.061 ( -7.271 1.097 7.615) 10.586 7.182 ( -1.068 -0.158 -4.341) 4.474 7.666 ( -1.294 0.883 1.221) 1.986 9.204 ( 2.136 2.829 -14.842) 15.260 10.069 ( -16.761 -3.786 28.980) 33.691 12.330 ( 6.235 2.972 -6.689) 9.615 12.916 ( -3.805 0.159 -2.242) 4.419 13.109 ( -6.219 0.161 5.418) 8.249 15.908 ( -3.814 1.706 2.308) 4.774 17.038 ( 3.162 4.006 4.108) 6.552 17.909 ( 5.310 1.608 -2.284) 6.000 18.995 ( 10.653 0.107 4.846) 11.704 ======================= Grid point 285 (136/366) ======================= q-point: (-0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -6.252 -0.262 5.891) 8.594 1.816 ( 1.800 11.844 -8.132) 14.479 2.008 ( -9.010 5.179 9.346) 13.976 2.446 ( -3.341 2.282 4.094) 5.756 3.141 ( 0.837 -0.094 0.989) 1.299 3.374 ( 6.384 4.365 5.816) 9.677 3.676 ( 0.098 -1.373 -17.508) 17.562 3.758 ( -6.712 -0.820 2.443) 7.190 3.975 ( -0.981 -2.613 11.558) 11.890 4.803 ( 1.501 -10.556 3.075) 11.097 5.670 ( -2.939 1.666 4.348) 5.507 6.190 ( 4.136 -1.688 2.777) 5.260 7.032 ( -8.008 -0.471 6.173) 10.122 7.097 ( -1.139 2.257 -7.392) 7.812 7.652 ( -2.306 1.135 3.544) 4.378 9.062 ( 4.978 4.380 -13.559) 15.093 10.269 ( -14.570 -9.268 35.049) 39.072 12.291 ( 6.656 4.661 -7.497) 11.056 12.834 ( -3.412 0.410 -4.728) 5.844 13.085 ( -6.269 -0.104 5.481) 8.328 15.882 ( -3.116 2.786 6.511) 7.737 17.050 ( 1.852 4.915 3.483) 6.302 17.905 ( 2.819 3.601 -1.933) 4.965 19.109 ( 4.196 0.403 -0.233) 4.222 ======================= Grid point 286 (137/366) ======================= q-point: (-0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 2.496 1.248 10.535) 10.898 1.636 ( 3.040 9.827 -3.770) 10.955 1.923 ( -10.400 5.994 11.942) 16.932 2.382 ( -5.144 3.738 1.519) 6.538 3.150 ( 0.752 0.551 0.002) 0.932 3.343 ( -3.058 7.533 -2.726) 8.575 3.639 ( 10.458 -3.147 -10.353) 15.049 3.765 ( 0.348 -2.304 4.487) 5.056 4.111 ( -0.307 -0.636 13.668) 13.686 4.960 ( -0.979 -10.561 1.316) 10.688 5.619 ( -6.145 1.914 1.656) 6.646 6.252 ( 1.974 0.176 -0.410) 2.024 6.928 ( -9.061 1.785 -3.771) 9.976 7.042 ( 0.149 -0.596 0.165) 0.636 7.655 ( -3.903 1.072 7.731) 8.727 8.967 ( 7.724 5.059 -9.807) 13.470 10.601 ( -14.704 -16.154 36.643) 42.660 12.242 ( 6.953 5.114 -6.995) 11.110 12.743 ( -2.452 0.287 -4.687) 5.298 13.064 ( -6.579 -0.187 5.968) 8.884 15.882 ( -2.614 4.654 9.760) 11.124 17.029 ( 0.184 5.578 2.921) 6.300 17.854 ( 0.995 5.648 -1.750) 5.996 19.065 ( -3.123 2.458 -7.396) 8.396 ======================= Grid point 287 (138/366) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -0.774 8.598 3.713) 9.398 1.691 ( 9.860 0.502 10.630) 14.508 1.846 ( -9.982 6.183 13.738) 18.072 2.273 ( -6.236 3.977 0.698) 7.429 3.145 ( -1.115 1.620 -2.077) 2.860 3.167 ( -0.174 5.937 -5.345) 7.991 3.698 ( 9.246 -0.133 -6.784) 11.469 3.897 ( 7.807 -2.046 3.679) 8.870 4.243 ( -0.266 1.454 15.299) 15.370 5.044 ( -4.279 -7.929 -2.106) 9.253 5.523 ( -7.750 0.175 -0.169) 7.754 6.222 ( 1.407 2.993 -5.569) 6.477 6.761 ( -5.460 2.912 -4.693) 7.766 7.082 ( -1.342 -3.986 3.244) 5.311 7.674 ( -5.710 1.360 10.954) 12.427 8.941 ( 9.166 4.012 -5.268) 11.307 10.962 ( -19.012 -21.235 29.305) 40.880 12.198 ( 6.205 4.726 -6.777) 10.333 12.718 ( -0.689 -2.597 3.385) 4.321 13.046 ( -6.658 -0.231 6.757) 9.489 15.885 ( -2.238 6.888 11.325) 13.444 16.972 ( -1.889 6.321 2.303) 6.988 17.761 ( -0.006 7.414 -1.964) 7.670 18.828 ( -8.548 6.680 -14.291) 17.942 ======================= Grid point 288 (139/366) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -0.695 5.536 11.989) 13.223 1.805 ( -7.628 4.458 14.148) 16.680 1.939 ( 8.600 -0.127 12.665) 15.310 2.155 ( -5.801 2.622 -0.239) 6.370 2.994 ( -2.801 7.708 -1.712) 8.378 3.168 ( 5.991 -1.517 -5.531) 8.294 3.737 ( 9.103 2.728 -5.596) 11.028 4.035 ( 8.054 -0.016 1.555) 8.202 4.360 ( -0.587 3.180 15.609) 15.941 4.992 ( -8.299 -3.590 -6.904) 11.377 5.436 ( -7.524 -1.955 -1.599) 7.936 6.121 ( 2.917 4.838 -9.772) 11.287 6.659 ( -1.795 2.027 -0.091) 2.709 7.160 ( -1.574 -5.333 4.151) 6.939 7.688 ( -7.157 2.109 12.199) 14.300 8.991 ( 9.533 0.953 -1.695) 9.729 11.158 ( -27.044 -19.519 15.659) 36.845 12.144 ( 6.798 5.207 -7.304) 11.255 12.875 ( -3.604 -9.849 16.460) 19.517 13.043 ( -6.186 -0.678 7.947) 10.094 15.881 ( -0.490 7.654 10.461) 12.971 16.875 ( -3.665 6.634 1.487) 7.723 17.642 ( 0.532 8.434 -2.464) 8.803 18.455 ( -7.870 11.131 -16.662) 21.528 ======================= Grid point 289 (140/366) ======================= q-point: (-0.09 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 1.759 0.844 19.490) 19.587 1.829 ( -5.937 1.670 15.433) 16.620 1.995 ( -9.122 1.620 4.852) 10.458 2.189 ( 8.779 -0.202 2.925) 9.256 2.875 ( -0.626 5.421 -1.021) 5.551 3.241 ( 7.866 -3.079 -2.872) 8.922 3.727 ( 7.838 6.587 -6.862) 12.325 4.121 ( 6.238 2.144 1.165) 6.699 4.453 ( -0.827 3.340 13.880) 14.300 4.832 ( -9.333 -2.655 -9.923) 13.878 5.329 ( -8.417 0.684 -2.770) 8.887 6.008 ( 6.041 4.663 -11.968) 14.194 6.668 ( 0.559 0.621 6.273) 6.328 7.241 ( -1.625 -4.643 3.422) 5.992 7.680 ( -7.838 2.956 11.583) 14.295 9.114 ( 9.713 -2.897 -0.048) 10.136 11.086 ( -35.119 -12.726 8.803) 38.377 12.117 ( 9.617 4.765 -5.931) 12.263 13.069 ( -5.720 -1.659 9.286) 11.032 13.103 ( -12.436 -11.646 19.156) 25.637 15.912 ( 4.090 3.614 6.937) 8.827 16.761 ( -3.840 5.551 0.535) 6.771 17.534 ( 3.212 8.188 -2.602) 9.173 18.106 ( -0.677 12.279 -12.175) 17.305 ======================= Grid point 294 (141/366) ======================= q-point: ( 0.36 -0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -15.616 0.000 -5.377) 16.515 2.100 ( 2.640 -0.000 -10.350) 10.682 2.160 ( -9.113 0.000 12.165) 15.200 2.445 ( 0.560 -0.000 5.014) 5.045 3.087 ( 3.122 -0.000 2.592) 4.058 3.318 ( 3.967 -0.000 1.253) 4.160 3.780 ( 0.561 -0.000 9.059) 9.077 3.869 ( -12.982 0.000 2.285) 13.181 3.874 ( -3.054 0.000 -12.892) 13.249 4.500 ( 3.069 -0.000 4.200) 5.202 5.647 ( 1.063 -0.000 8.444) 8.511 6.053 ( 6.344 -0.000 1.879) 6.616 7.077 ( -10.458 0.000 10.494) 14.815 7.180 ( 3.473 -0.000 -7.720) 8.465 7.677 ( -0.969 0.000 1.067) 1.441 9.240 ( 1.798 -0.000 -13.677) 13.795 10.023 ( -16.395 0.000 25.339) 30.180 12.367 ( 6.397 -0.000 -5.918) 8.715 12.917 ( -3.814 0.000 -2.288) 4.448 13.111 ( -6.139 0.000 4.811) 7.800 15.931 ( -3.336 0.000 1.952) 3.865 17.092 ( 2.675 -0.000 4.577) 5.302 17.926 ( 6.635 -0.000 -2.982) 7.274 18.997 ( 10.574 -0.000 4.845) 11.631 ======================= Grid point 296 (142/366) ======================= q-point: (-0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -7.268 -0.431 4.667) 8.648 1.994 ( 2.654 2.934 -14.287) 14.825 2.137 ( -8.867 4.125 11.535) 15.123 2.472 ( -2.108 0.136 2.478) 3.256 3.156 ( 2.005 0.882 4.645) 5.135 3.393 ( 4.769 -1.265 2.986) 5.767 3.666 ( -2.080 0.023 -15.581) 15.720 3.749 ( -10.136 0.032 3.095) 10.598 3.951 ( 2.215 0.371 14.430) 14.604 4.595 ( 0.881 -5.243 3.584) 6.412 5.700 ( -3.083 0.659 5.561) 6.393 6.152 ( 4.095 -1.014 3.526) 5.498 7.033 ( -9.966 0.223 6.312) 11.799 7.138 ( 3.175 0.881 -8.681) 9.285 7.672 ( -1.792 0.460 2.507) 3.116 9.143 ( 5.187 1.896 -12.260) 13.446 10.118 ( -14.153 -3.124 29.023) 32.441 12.374 ( 6.854 1.847 -7.176) 10.094 12.838 ( -3.555 -0.013 -4.738) 5.924 13.082 ( -5.992 -0.103 4.524) 7.509 15.933 ( -1.890 1.149 6.519) 6.884 17.142 ( 0.959 2.137 4.033) 4.664 17.961 ( 4.784 1.064 -2.947) 5.719 19.116 ( 4.344 0.152 0.741) 4.409 ======================= Grid point 297 (143/366) ======================= q-point: (-0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 4.110 -1.100 11.783) 12.528 1.828 ( 2.087 5.281 -14.544) 15.613 2.077 ( -9.316 5.865 12.089) 16.351 2.436 ( -4.747 0.762 -0.174) 4.811 3.183 ( 1.074 2.023 0.742) 2.408 3.492 ( -2.771 4.237 -6.787) 8.468 3.534 ( 6.945 -4.594 0.464) 8.340 3.709 ( -3.167 -1.907 4.249) 5.632 4.118 ( 2.758 1.227 15.567) 15.857 4.710 ( -1.639 -8.924 2.530) 9.419 5.663 ( -7.333 1.428 2.654) 7.928 6.232 ( 2.119 -1.263 1.774) 3.039 6.946 ( -9.826 0.395 1.209) 9.908 7.074 ( 3.026 1.826 -7.808) 8.571 7.678 ( -3.039 0.731 6.532) 7.241 9.086 ( 8.586 4.145 -9.402) 13.390 10.310 ( -13.520 -7.970 30.736) 34.511 12.352 ( 7.326 3.471 -8.188) 11.522 12.746 ( -2.857 -0.044 -5.586) 6.274 13.056 ( -6.201 -0.336 5.091) 8.030 15.978 ( -0.533 2.848 10.344) 10.742 17.145 ( -0.603 3.500 3.384) 4.905 17.959 ( 3.054 2.848 -2.626) 4.933 19.105 ( -2.243 0.987 -4.586) 5.200 ======================= Grid point 298 (144/366) ======================= q-point: (-0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 6.320 3.316 5.935) 9.282 1.698 ( 5.098 1.303 -5.693) 7.752 2.012 ( -9.190 6.399 14.144) 18.041 2.340 ( -6.980 1.298 -1.761) 7.315 3.158 ( 1.845 0.610 -5.384) 5.724 3.341 ( -2.521 7.033 -2.337) 7.828 3.665 ( 7.033 -2.268 -1.156) 7.479 3.815 ( 3.883 -4.010 7.653) 9.472 4.286 ( 2.273 1.982 16.541) 16.813 4.812 ( -3.808 -10.130 0.857) 10.856 5.544 ( -10.708 1.252 -0.378) 10.787 6.258 ( 1.536 0.072 -2.927) 3.306 6.817 ( -7.433 1.580 -2.297) 7.939 7.034 ( 1.635 -0.075 -3.503) 3.867 7.704 ( -4.649 1.044 10.468) 11.502 9.065 ( 9.791 5.625 -5.954) 12.765 10.551 ( -15.357 -12.601 27.602) 34.007 12.314 ( 7.657 4.254 -8.621) 12.290 12.682 ( -1.112 -0.854 -2.206) 2.614 13.037 ( -6.465 -0.452 5.985) 8.822 16.038 ( -0.025 5.279 12.540) 13.606 17.107 ( -2.468 4.467 2.775) 5.809 17.915 ( 1.743 5.013 -2.294) 5.782 18.945 ( -8.002 3.201 -10.125) 13.296 ======================= Grid point 299 (145/366) ======================= q-point: (-0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 1.863 7.352 0.446) 7.598 1.817 ( 6.033 -2.795 1.521) 6.821 2.006 ( -3.224 4.766 18.677) 19.544 2.207 ( -9.242 1.192 -1.919) 9.514 3.127 ( 3.192 -0.668 -7.349) 8.040 3.211 ( -0.623 8.648 -0.173) 8.672 3.759 ( 8.130 -0.572 -1.942) 8.378 3.991 ( 5.685 -3.049 5.993) 8.805 4.435 ( 0.114 2.573 16.328) 16.529 4.861 ( -5.563 -7.285 -2.648) 9.541 5.387 ( -11.282 -1.335 -2.541) 11.641 6.212 ( 2.427 2.320 -8.266) 8.922 6.709 ( -4.042 1.853 0.071) 4.447 7.053 ( 0.609 -3.023 0.479) 3.121 7.735 ( -6.195 1.645 12.563) 14.104 9.069 ( 8.797 5.169 -2.971) 10.627 10.737 ( -20.055 -14.422 19.386) 31.401 12.269 ( 8.024 4.693 -8.896) 12.867 12.722 ( 0.148 -3.847 6.026) 7.150 13.028 ( -6.388 -0.641 7.000) 9.499 16.079 ( -0.425 7.920 12.740) 15.007 17.027 ( -4.780 5.401 2.183) 7.536 17.837 ( 1.253 7.090 -2.097) 7.499 18.654 ( -10.317 5.824 -13.717) 18.124 ======================= Grid point 300 (146/366) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 3.506 2.961 8.710) 9.845 1.859 ( -2.446 0.623 4.802) 5.425 2.039 ( -11.846 1.387 1.437) 12.013 2.183 ( 5.634 -0.118 10.495) 11.912 3.046 ( -2.620 6.837 -1.322) 7.440 3.186 ( 8.282 -0.265 -4.317) 9.343 3.827 ( 8.186 1.888 -4.120) 9.357 4.132 ( 5.432 -0.869 4.154) 6.893 4.530 ( -4.401 2.069 14.158) 14.970 4.782 ( -6.820 -1.611 -8.411) 10.948 5.285 ( -7.820 -3.830 -1.210) 8.791 6.115 ( 4.493 3.697 -11.798) 13.155 6.688 ( -1.356 0.928 5.803) 6.031 7.123 ( 0.367 -4.662 2.334) 5.226 7.750 ( -7.346 2.517 12.604) 14.803 9.101 ( 7.283 2.242 -0.847) 7.667 10.771 ( -25.770 -12.306 11.656) 30.845 12.233 ( 9.027 4.463 -7.981) 12.849 12.872 ( -2.505 -6.991 11.872) 14.003 13.038 ( -5.919 -1.262 8.381) 10.338 16.080 ( -0.703 9.098 10.811) 14.147 16.904 ( -6.653 5.813 1.473) 8.957 17.741 ( 2.226 8.234 -2.009) 8.763 18.332 ( -6.846 6.733 -12.745) 15.958 ======================= Grid point 301 (147/366) ======================= q-point: (-0.09 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 4.556 -1.497 13.165) 14.011 1.857 ( -6.128 -1.790 0.314) 6.392 1.922 ( -9.521 -0.121 9.155) 13.209 2.313 ( 3.724 1.229 3.906) 5.535 2.929 ( -1.339 5.805 -0.188) 5.960 3.286 ( 9.062 -2.566 -1.752) 9.580 3.809 ( 4.754 5.139 -7.816) 10.493 4.229 ( 5.340 1.530 3.579) 6.608 4.527 ( -11.709 -2.111 2.827) 12.229 4.649 ( -0.476 2.018 -4.023) 4.526 5.236 ( -5.269 0.230 1.683) 5.536 6.019 ( 7.011 3.591 -12.917) 15.130 6.757 ( -0.592 -0.205 11.048) 11.066 7.205 ( 0.161 -4.162 2.009) 4.625 7.736 ( -7.688 3.341 10.962) 13.800 9.182 ( 6.689 -2.127 0.087) 7.019 10.652 ( -30.046 -8.147 9.492) 32.546 12.226 ( 9.355 3.385 -6.853) 12.081 13.014 ( -6.809 -6.208 11.015) 14.361 13.077 ( -6.320 -2.465 10.086) 12.155 16.064 ( 0.218 6.317 7.047) 9.466 16.768 ( -5.990 4.590 0.925) 7.602 17.665 ( 4.722 7.629 -1.795) 9.151 18.117 ( 0.722 5.560 -7.007) 8.974 ======================= Grid point 307 (148/366) ======================= q-point: ( 0.45 -0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 4.122 -0.000 11.922) 12.614 1.891 ( 2.523 -0.000 -16.750) 16.939 2.159 ( -9.072 0.000 10.355) 13.767 2.439 ( -5.039 0.000 -0.346) 5.051 3.220 ( 1.111 -0.000 0.031) 1.111 3.456 ( 4.070 -0.000 2.537) 4.796 3.551 ( 0.944 -0.000 -5.217) 5.301 3.683 ( -6.419 0.000 5.112) 8.206 4.145 ( 4.618 -0.000 15.058) 15.750 4.584 ( -2.462 0.000 3.087) 3.948 5.681 ( -7.765 0.000 3.149) 8.379 6.213 ( 2.114 -0.000 2.424) 3.217 6.952 ( -9.293 0.000 1.455) 9.406 7.099 ( 3.354 -0.000 -9.089) 9.688 7.688 ( -2.713 0.000 6.038) 6.620 9.142 ( 9.295 -0.000 -9.039) 12.966 10.211 ( -13.358 0.000 28.645) 31.606 12.397 ( 7.469 -0.000 -8.604) 11.394 12.744 ( -3.029 0.000 -5.719) 6.472 13.052 ( -6.058 0.000 4.748) 7.697 16.014 ( 0.079 -0.000 10.612) 10.612 17.189 ( -1.285 0.000 3.565) 3.789 17.993 ( 4.038 -0.000 -3.042) 5.056 19.117 ( -2.011 0.000 -3.725) 4.234 ======================= Grid point 309 (149/366) ======================= q-point: (-0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 10.696 -0.068 11.732) 15.876 1.746 ( 2.723 1.585 -16.314) 16.615 2.129 ( -9.198 2.692 10.974) 14.570 2.347 ( -8.143 -0.264 -2.106) 8.415 3.173 ( 0.818 0.489 -8.542) 8.595 3.497 ( 1.818 4.871 1.739) 5.483 3.609 ( 4.271 -1.587 5.529) 7.164 3.720 ( 0.248 -3.314 7.958) 8.624 4.338 ( 4.690 1.950 15.025) 15.860 4.601 ( -4.821 -5.831 2.443) 7.951 5.570 ( -12.250 0.616 -0.120) 12.266 6.246 ( 1.483 -0.544 -1.113) 1.932 6.843 ( -7.834 0.557 -1.097) 7.930 7.048 ( 2.776 0.587 -7.805) 8.304 7.722 ( -4.180 0.392 10.080) 10.919 9.181 ( 11.415 2.966 -6.198) 13.324 10.338 ( -14.312 -4.621 25.921) 29.968 12.390 ( 7.969 1.690 -9.949) 12.859 12.668 ( -1.555 -0.337 -3.889) 4.201 13.028 ( -6.308 -0.240 5.685) 8.495 16.130 ( 1.375 1.975 13.411) 13.625 17.182 ( -3.275 1.576 2.929) 4.668 17.999 ( 3.129 1.746 -2.608) 4.432 18.995 ( -7.526 0.987 -8.110) 11.108 ======================= Grid point 310 (150/366) ======================= q-point: (-0.36 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 4.792 6.310 -5.237) 9.497 1.730 ( 9.284 -3.792 -0.409) 10.037 2.109 ( -7.039 3.050 14.372) 16.291 2.212 ( -10.859 -0.464 -2.513) 11.156 3.105 ( 2.640 -0.711 -9.321) 9.714 3.443 ( 0.040 9.552 3.552) 10.191 3.726 ( 6.232 -1.572 1.841) 6.686 3.899 ( 4.014 -4.617 10.144) 11.846 4.483 ( -0.904 1.444 13.224) 13.334 4.666 ( -1.668 -7.419 2.628) 8.046 5.374 ( -14.990 -0.001 -4.049) 15.527 6.236 ( 2.030 0.039 -6.154) 6.480 6.745 ( -5.608 1.009 0.738) 5.746 7.015 ( 2.241 -0.405 -4.537) 5.076 7.765 ( -5.914 0.824 12.741) 14.070 9.213 ( 10.239 5.622 -4.095) 12.378 10.455 ( -16.703 -8.412 19.812) 27.245 12.361 ( 8.287 2.682 -10.714) 13.808 12.657 ( 0.306 -1.691 1.374) 2.200 13.014 ( -6.461 -0.435 6.650) 9.282 16.243 ( 1.462 5.005 14.499) 15.408 17.129 ( -5.322 2.822 2.414) 6.490 17.975 ( 2.268 3.989 -1.887) 4.962 18.759 ( -11.203 2.832 -11.568) 16.350 ======================= Grid point 311 (151/366) ======================= q-point: (-0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 4.789 4.413 -2.965) 7.155 1.847 ( 2.911 -1.394 -1.060) 3.397 2.051 ( -13.537 -0.276 -0.117) 13.540 2.194 ( 0.179 0.801 15.721) 15.743 3.079 ( 4.131 -1.644 -8.103) 9.243 3.345 ( -0.182 10.538 3.033) 10.967 3.833 ( 7.679 -1.022 -1.410) 7.874 4.091 ( 4.499 -2.673 8.959) 10.375 4.532 ( -8.161 -1.719 8.420) 11.851 4.745 ( -0.519 -1.409 0.370) 1.546 5.181 ( -11.065 -3.822 -2.872) 12.053 6.177 ( 3.298 1.313 -10.737) 11.308 6.709 ( -3.242 0.777 5.698) 6.602 7.032 ( 2.062 -2.529 -1.079) 3.437 7.798 ( -7.548 1.391 13.482) 15.514 9.213 ( 7.236 6.161 -2.531) 9.835 10.502 ( -19.994 -9.452 12.881) 25.593 12.325 ( 8.513 2.867 -10.690) 13.963 12.741 ( 0.420 -3.931 7.065) 8.096 13.012 ( -6.258 -0.797 7.569) 9.853 16.309 ( 0.326 8.723 13.818) 16.344 17.030 ( -7.509 4.171 2.103) 8.843 17.921 ( 1.432 6.143 -1.259) 6.432 18.458 ( -10.610 3.802 -12.296) 16.680 ======================= Grid point 312 (152/366) ======================= q-point: (-0.18 -0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 5.111 -0.307 1.535) 5.345 1.816 ( -6.271 -1.136 -4.162) 7.611 1.931 ( -9.941 0.343 8.351) 12.988 2.331 ( 1.002 0.339 9.503) 9.561 3.054 ( 0.695 2.134 -4.715) 5.222 3.286 ( 4.705 4.533 1.043) 6.616 3.885 ( 5.407 1.197 -5.782) 8.006 4.244 ( 4.366 -0.598 7.416) 8.627 4.467 ( -10.762 -1.904 -3.716) 11.543 4.694 ( -4.664 0.743 1.701) 5.019 5.182 ( -1.551 -4.105 4.399) 6.213 6.090 ( 5.254 2.042 -12.976) 14.147 6.755 ( -1.827 0.015 10.511) 10.668 7.099 ( 2.056 -4.104 0.655) 4.637 7.804 ( -8.708 2.080 12.472) 15.352 9.203 ( 4.812 3.762 -1.185) 6.222 10.450 ( -23.425 -8.066 9.366) 26.486 12.296 ( 8.279 2.100 -10.219) 13.318 12.873 ( -2.058 -5.064 9.256) 10.749 13.030 ( -5.919 -1.503 8.552) 10.509 16.299 ( -1.587 11.580 11.295) 16.254 16.890 ( -8.640 5.030 1.794) 10.157 17.837 ( 0.212 6.268 -1.956) 6.569 18.223 ( -3.447 3.160 -7.535) 8.868 ======================= Grid point 313 (153/366) ======================= q-point: (-0.09 -0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -3.820 -7.056 -4.711) 9.304 1.755 ( -3.921 -1.062 7.465) 8.499 1.936 ( -4.885 -0.667 9.289) 10.516 2.363 ( -3.279 1.423 1.815) 4.009 2.969 ( -1.456 4.271 -1.162) 4.660 3.363 ( 8.098 -1.378 0.368) 8.223 3.800 ( -1.726 3.833 -9.743) 10.611 4.290 ( -8.655 -3.728 -7.094) 11.795 4.372 ( 6.156 1.010 0.913) 6.304 4.682 ( -2.298 2.646 6.642) 7.510 5.256 ( 0.076 0.406 6.994) 7.006 6.016 ( 7.313 2.005 -12.721) 14.810 6.853 ( -2.100 -0.706 12.897) 13.086 7.182 ( 1.704 -3.851 1.131) 4.360 7.775 ( -8.834 2.671 9.904) 13.537 9.230 ( 4.424 -0.621 -0.786) 4.536 10.324 ( -26.245 -5.699 10.860) 28.969 12.276 ( 7.253 0.780 -9.919) 12.313 12.975 ( -4.898 -4.285 8.516) 10.718 13.063 ( -6.268 -1.934 8.792) 10.970 16.214 ( -3.869 10.664 7.048) 13.355 16.757 ( -5.915 3.753 1.934) 7.267 17.757 ( 0.964 3.314 -2.594) 4.318 18.165 ( 5.485 3.064 0.327) 6.292 ======================= Grid point 320 (154/366) ======================= q-point: (-0.45 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 3.811 -0.000 -16.098) 16.543 1.639 ( 11.747 -0.000 8.529) 14.517 2.146 ( -7.565 0.000 11.842) 14.052 2.203 ( -11.313 0.000 -2.323) 11.550 3.096 ( 1.690 -0.000 -9.502) 9.651 3.601 ( 2.810 -0.000 3.263) 4.306 3.726 ( 3.711 -0.000 8.548) 9.319 3.784 ( 2.805 -0.000 8.354) 8.812 4.511 ( -7.084 0.000 3.353) 7.838 4.555 ( 5.743 -0.000 12.645) 13.888 5.376 ( -16.265 0.000 -4.465) 16.866 6.233 ( 1.909 -0.000 -5.223) 5.561 6.758 ( -6.032 0.000 0.879) 6.095 7.013 ( 2.681 -0.000 -6.516) 7.046 7.775 ( -5.926 0.000 12.787) 14.093 9.292 ( 11.581 -0.000 -4.893) 12.572 10.346 ( -16.400 0.000 20.285) 26.085 12.395 ( 8.291 -0.000 -11.598) 14.256 12.636 ( 0.182 -0.000 0.038) 0.186 13.008 ( -6.463 0.000 6.654) 9.276 16.307 ( 2.424 -0.000 15.189) 15.381 17.163 ( -5.490 0.000 2.419) 6.000 18.025 ( 2.774 -0.000 -1.813) 3.314 18.794 ( -11.287 0.000 -10.840) 15.649 ======================= Grid point 321 (155/366) ======================= q-point: (-0.36 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 5.357 2.394 -11.599) 12.999 1.816 ( 5.293 -0.803 2.913) 6.094 2.037 ( -13.497 -0.584 -0.721) 13.529 2.208 ( -1.810 0.239 13.904) 14.023 3.045 ( 2.898 -0.819 -7.678) 8.247 3.601 ( -0.354 8.444 4.523) 9.585 3.816 ( 5.632 0.990 2.473) 6.230 3.971 ( 2.822 -7.082 9.010) 11.803 4.486 ( -5.741 -1.165 6.531) 8.773 4.717 ( 2.182 -0.733 5.905) 6.338 5.120 ( -15.060 -1.156 -5.645) 16.125 6.189 ( 2.629 0.041 -9.508) 9.865 6.723 ( -4.267 0.306 5.696) 7.124 6.997 ( 2.901 -0.535 -4.084) 5.038 7.819 ( -7.966 0.391 13.988) 16.102 9.350 ( 8.779 3.694 -4.667) 10.606 10.328 ( -18.517 -4.104 14.565) 23.914 12.371 ( 8.053 0.896 -12.713) 15.075 12.676 ( 1.108 -1.349 4.685) 4.999 12.999 ( -6.381 -0.231 7.453) 9.814 16.467 ( 2.382 3.551 15.627) 16.201 17.099 ( -7.312 1.410 2.256) 7.781 18.029 ( 1.943 2.430 -0.482) 3.149 18.520 ( -12.953 1.263 -12.363) 17.950 ======================= Grid point 322 (156/366) ======================= q-point: (-0.27 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 4.658 0.911 -7.639) 8.993 1.818 ( -6.094 1.328 -0.833) 6.292 1.922 ( -9.064 -1.275 6.278) 11.099 2.333 ( 0.471 -0.098 10.735) 10.745 3.038 ( 4.167 -1.730 -6.220) 7.684 3.498 ( -2.480 10.818 4.013) 11.802 3.887 ( 6.463 -0.323 -3.565) 7.388 4.156 ( -0.323 -7.145 7.186) 10.139 4.474 ( -6.635 2.675 -0.391) 7.165 4.667 ( -8.218 -2.842 -0.281) 8.700 5.078 ( 0.953 -3.502 6.363) 7.326 6.118 ( 3.728 0.371 -12.356) 12.911 6.756 ( -2.815 0.104 10.306) 10.684 7.022 ( 3.248 -2.037 -1.911) 4.285 7.838 ( -9.890 0.776 13.691) 16.907 9.330 ( 4.863 5.418 -4.206) 8.408 10.275 ( -20.411 -5.768 10.952) 23.872 12.327 ( 7.231 0.598 -13.401) 15.239 12.774 ( 0.143 -2.875 7.536) 8.067 13.004 ( -5.958 -0.589 8.183) 10.140 16.563 ( 1.023 8.702 14.536) 16.973 16.995 ( -8.809 3.169 2.538) 9.700 17.980 ( -2.641 5.590 -1.352) 6.329 18.262 ( -7.316 -0.190 -8.938) 11.552 ======================= Grid point 323 (157/366) ======================= q-point: (-0.18 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -6.135 -1.988 -8.389) 10.581 1.752 ( -2.678 0.819 5.088) 5.808 1.917 ( -6.479 -1.101 8.217) 10.522 2.384 ( -4.515 0.444 4.236) 6.207 3.042 ( 2.093 0.724 -4.442) 4.964 3.401 ( 0.244 5.686 2.837) 6.360 3.871 ( 0.646 2.188 -8.880) 9.168 4.199 ( -8.225 -3.538 -9.692) 13.195 4.339 ( -1.729 -4.388 1.340) 4.903 4.731 ( 1.885 1.473 12.479) 12.706 5.221 ( 3.132 -2.606 7.670) 8.685 6.044 ( 5.465 0.375 -12.782) 13.906 6.840 ( -2.239 -0.284 12.386) 12.590 7.086 ( 3.437 -3.510 -0.350) 4.925 7.822 ( -11.136 1.185 12.100) 16.487 9.276 ( 2.524 3.766 -3.420) 5.679 10.187 ( -22.645 -5.162 11.811) 26.056 12.276 ( 5.943 -0.645 -13.782) 15.023 12.878 ( -2.147 -3.442 7.766) 8.762 13.026 ( -5.669 -1.021 8.753) 10.478 16.542 ( -2.715 14.346 11.379) 18.511 16.862 ( -8.615 4.429 2.690) 10.053 17.816 ( -6.818 2.365 -4.964) 8.759 18.217 ( 3.624 0.283 1.207) 3.830 ======================= Grid point 324 (158/366) ======================= q-point: (-0.09 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -12.711 -6.486 -6.007) 15.483 1.789 ( -2.903 -1.367 5.150) 6.068 1.963 ( -1.731 -1.688 8.229) 8.577 2.293 ( -11.363 0.503 -0.372) 11.381 2.976 ( -2.297 3.020 -1.856) 4.225 3.443 ( 5.411 -1.525 2.057) 5.987 3.682 ( -7.055 3.348 -11.047) 13.528 4.071 ( -1.425 -3.955 -12.539) 13.225 4.413 ( -0.096 -3.371 1.241) 3.594 4.850 ( 5.195 6.464 11.741) 14.375 5.347 ( 1.942 -0.460 8.005) 8.251 6.004 ( 7.321 0.225 -10.681) 12.951 6.931 ( -2.483 -0.549 10.377) 10.684 7.179 ( 2.460 -3.524 2.729) 5.091 7.771 ( -10.962 1.571 8.596) 14.018 9.249 ( 3.092 -0.193 -4.753) 5.674 10.094 ( -24.712 -3.464 19.147) 31.453 12.225 ( 4.796 -2.200 -13.608) 14.595 12.947 ( -4.288 -3.055 6.255) 8.176 13.055 ( -5.952 -1.103 8.925) 10.784 16.364 ( -8.641 15.666 6.337) 18.980 16.764 ( -3.924 3.145 3.283) 6.006 17.717 ( -2.962 -2.095 -2.865) 4.623 18.330 ( 9.461 1.408 7.172) 11.955 ======================= Grid point 332 (159/366) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 4.454 -0.000 -10.343) 11.261 1.869 ( -1.773 0.000 4.133) 4.498 1.873 ( -12.758 0.000 2.466) 12.994 2.331 ( 1.130 -0.000 10.270) 10.332 3.013 ( 3.588 -0.000 -5.742) 6.771 3.690 ( -2.427 0.000 4.612) 5.212 3.919 ( 1.828 -0.000 4.396) 4.761 3.968 ( 1.508 -0.000 -0.278) 1.533 4.557 ( 1.679 -0.000 13.758) 13.860 4.585 ( -16.473 0.000 -13.354) 21.206 5.033 ( 1.532 -0.000 6.793) 6.964 6.120 ( 3.137 -0.000 -11.928) 12.334 6.758 ( -3.122 0.000 10.252) 10.717 6.997 ( 3.551 -0.000 -3.168) 4.759 7.846 ( -10.387 0.000 14.154) 17.556 9.408 ( 5.629 -0.000 -6.490) 8.591 10.197 ( -20.126 0.000 12.757) 23.829 12.333 ( 6.746 -0.000 -14.684) 16.160 12.737 ( 0.745 -0.000 6.883) 6.923 12.998 ( -5.941 0.000 8.116) 10.058 16.677 ( 2.690 -0.000 15.953) 16.178 17.034 ( -8.408 0.000 2.620) 8.807 18.074 ( 1.364 -0.000 2.086) 2.492 18.238 ( -13.855 0.000 -12.774) 18.845 ======================= Grid point 333 (160/366) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -5.378 0.588 -7.696) 9.407 1.791 ( -3.847 2.000 5.296) 6.845 1.876 ( -6.979 -2.000 6.207) 9.552 2.392 ( -3.830 0.183 4.016) 5.552 3.025 ( 5.636 -0.990 -4.969) 7.578 3.616 ( -6.461 9.351 5.351) 12.563 3.915 ( 4.260 2.021 -6.138) 7.740 4.067 ( -1.353 -8.720 1.095) 8.892 4.216 ( -17.867 -2.607 -13.892) 22.782 4.761 ( 6.054 0.843 16.789) 17.867 5.162 ( 4.617 -1.599 7.516) 8.965 6.044 ( 4.045 -0.173 -12.508) 13.146 6.838 ( -2.226 0.045 12.565) 12.760 7.025 ( 4.073 -1.346 -2.317) 4.875 7.839 ( -12.578 0.269 13.592) 18.521 9.367 ( 1.954 2.552 -7.487) 8.148 10.090 ( -21.318 -2.312 14.637) 25.962 12.257 ( 5.033 -0.577 -16.180) 16.954 12.816 ( -0.793 -1.364 7.199) 7.369 13.012 ( -5.394 -0.238 8.681) 10.223 16.819 ( 1.835 6.650 14.726) 16.262 16.947 ( -8.901 1.864 3.517) 9.750 17.911 ( -11.957 5.001 -9.354) 15.984 18.158 ( 0.424 -4.329 3.448) 5.550 ======================= Grid point 334 (161/366) ======================= q-point: (-0.18 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -14.127 1.288 -4.374) 14.845 1.778 ( -6.160 0.492 4.524) 7.659 1.914 ( -1.641 -2.351 8.449) 8.922 2.295 ( -12.877 -0.124 -2.090) 13.046 3.044 ( 3.338 1.678 -4.853) 6.125 3.478 ( -5.588 5.668 4.850) 9.321 3.773 ( -6.039 3.931 -13.056) 14.913 3.972 ( 0.226 -4.144 -12.678) 13.340 4.241 ( -2.434 -10.332 4.375) 11.481 4.976 ( 7.587 3.780 15.160) 17.369 5.309 ( 3.763 -2.064 7.071) 8.271 5.993 ( 5.579 -0.774 -10.598) 12.001 6.929 ( -1.609 0.434 10.580) 10.710 7.092 ( 4.132 -3.221 0.499) 5.263 7.797 ( -13.762 0.618 11.985) 18.260 9.274 ( 0.193 1.584 -8.032) 8.189 10.025 ( -22.429 -2.046 22.485) 31.824 12.167 ( 3.791 -2.175 -16.617) 17.183 12.881 ( -2.714 -2.091 5.945) 6.861 13.037 ( -5.380 -0.414 8.980) 10.476 16.793 ( -6.484 16.098 9.685) 19.875 16.851 ( -4.799 4.054 4.697) 7.843 17.671 ( -8.423 -0.763 -6.052) 10.399 18.299 ( 4.306 -4.153 9.212) 10.985 ======================= Grid point 335 (162/366) ======================= q-point: (-0.09 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -16.069 -2.403 -0.115) 16.248 1.707 ( -11.282 -2.269 -0.567) 11.522 1.979 ( -3.569 -0.349 -3.854) 5.265 2.134 ( -13.845 -3.567 12.286) 18.851 2.950 ( -4.302 3.453 -3.248) 6.402 3.468 ( -1.882 -1.750 0.407) 2.602 3.564 ( 0.370 2.667 -8.112) 8.547 3.922 ( 2.773 -2.815 -11.946) 12.583 4.341 ( -1.392 -6.114 -1.410) 6.427 5.124 ( 6.773 6.898 10.095) 13.978 5.432 ( 2.039 -1.307 6.645) 7.072 6.002 ( 7.033 -1.225 -6.050) 9.358 6.982 ( -0.554 0.582 4.574) 4.644 7.211 ( 1.922 -3.416 7.051) 8.067 7.714 ( -13.234 1.121 6.972) 15.000 9.186 ( 0.842 -1.448 -11.618) 11.738 10.058 ( -21.276 0.147 38.736) 44.195 12.092 ( 3.668 -4.033 -15.658) 16.580 12.912 ( -4.167 -2.109 3.718) 5.970 13.061 ( -5.938 -0.527 9.010) 10.803 16.508 ( -12.649 19.952 5.174) 24.184 16.800 ( -2.853 3.373 4.145) 6.058 17.609 ( -3.185 -4.991 -1.755) 6.175 18.537 ( 9.553 -2.783 12.801) 16.213 ======================= Grid point 344 (163/366) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -13.464 0.000 -2.914) 13.776 1.796 ( -12.236 0.000 5.799) 13.541 1.870 ( 2.550 -0.000 7.301) 7.733 2.293 ( -13.396 0.000 -3.471) 13.839 3.057 ( 8.467 -0.000 -5.790) 10.258 3.640 ( -9.615 0.000 5.607) 11.131 3.820 ( -14.542 0.000 -16.423) 21.936 3.906 ( 1.652 -0.000 -7.015) 7.207 4.038 ( 1.754 -0.000 3.537) 3.948 5.027 ( 7.914 -0.000 16.946) 18.703 5.277 ( 4.716 -0.000 6.227) 7.811 5.982 ( 4.718 -0.000 -10.488) 11.501 6.940 ( -1.526 0.000 12.751) 12.842 7.045 ( 4.761 -0.000 -2.636) 5.443 7.804 ( -14.759 0.000 13.514) 20.012 9.298 ( -1.153 0.000 -10.150) 10.215 9.999 ( -21.497 0.000 24.445) 32.553 12.137 ( 3.435 -0.000 -17.735) 18.065 12.854 ( -2.126 0.000 5.814) 6.191 13.032 ( -5.176 0.000 8.896) 10.292 16.891 ( -8.327 0.000 4.274) 9.360 17.036 ( 2.630 -0.000 13.830) 14.078 17.684 ( -11.880 0.000 -11.062) 16.233 18.206 ( -0.474 0.000 12.112) 12.121 ======================= Grid point 345 (164/366) ======================= q-point: (-0.18 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -17.269 2.498 1.122) 17.484 1.671 ( -15.536 -0.659 1.925) 15.668 1.980 ( -2.541 0.642 1.517) 3.028 2.041 ( -17.616 -3.346 3.759) 18.321 3.067 ( 5.390 3.908 -9.432) 11.545 3.484 ( -9.091 4.563 1.782) 10.327 3.606 ( -4.704 -1.511 -8.658) 9.969 3.863 ( 2.290 -1.238 -8.354) 8.750 4.139 ( 0.648 -7.739 0.975) 7.827 5.245 ( 7.110 2.849 11.484) 13.804 5.394 ( 3.567 -1.387 5.436) 6.648 5.971 ( 5.616 -0.905 -5.390) 7.836 7.020 ( 0.423 2.397 6.620) 7.054 7.116 ( 4.164 -3.824 2.658) 6.247 7.737 ( -15.805 0.586 11.409) 19.501 9.166 ( -2.677 -0.340 -11.623) 11.932 10.067 ( -18.718 0.336 42.909) 46.815 12.014 ( 3.167 -1.830 -17.476) 17.855 12.874 ( -3.229 -0.862 3.799) 5.060 13.053 ( -5.667 -0.146 8.729) 10.408 16.822 ( -7.676 2.680 4.565) 9.325 17.068 ( -2.103 16.587 7.754) 18.430 17.489 ( -6.754 -4.618 -5.570) 9.898 18.401 ( 2.095 -6.246 18.782) 19.904 ======================= Grid point 346 (165/366) ======================= q-point: (-0.09 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -17.586 1.003 6.420) 18.748 1.427 ( -19.391 -2.550 -12.047) 22.971 1.780 ( -22.708 -3.660 11.256) 25.608 2.164 ( -0.528 -3.213 12.813) 13.220 2.900 ( -4.195 5.975 -7.773) 10.664 3.415 ( -0.272 0.800 -4.573) 4.650 3.545 ( 2.926 -3.016 -4.668) 6.281 3.826 ( 2.585 -1.649 -9.311) 9.803 4.213 ( -1.796 -6.589 -3.815) 7.823 5.345 ( 5.306 5.152 4.277) 8.543 5.492 ( 1.810 -1.343 4.180) 4.749 6.033 ( 5.309 -1.671 0.268) 5.573 7.035 ( 1.969 2.917 1.046) 3.672 7.270 ( 2.334 -4.407 8.788) 10.104 7.610 ( -15.834 1.551 4.756) 16.606 9.027 ( -1.976 -1.920 -13.781) 14.054 10.394 ( -8.962 5.451 65.756) 66.587 11.935 ( 4.372 -4.195 -15.406) 16.554 12.869 ( -3.770 -1.034 1.532) 4.199 13.064 ( -6.498 -0.385 8.363) 10.598 16.646 ( -12.112 19.710 3.862) 23.455 16.852 ( -5.897 7.877 3.764) 10.535 17.498 ( -1.532 -6.118 -0.618) 6.337 18.741 ( 8.808 -6.125 18.077) 21.021 ======================= Grid point 356 (166/366) ======================= q-point: (-0.18 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -18.226 0.000 5.046) 18.911 1.393 ( -21.752 0.000 -12.421) 25.049 1.726 ( -30.059 0.000 17.344) 34.704 2.115 ( 3.061 -0.000 8.837) 9.353 3.045 ( 7.185 -0.000 -19.824) 21.086 3.429 ( -0.740 0.000 -4.913) 4.969 3.461 ( -10.173 0.000 1.507) 10.285 3.810 ( 1.351 -0.000 -6.371) 6.513 4.099 ( 0.590 -0.000 -1.624) 1.728 5.416 ( 5.492 -0.000 3.821) 6.691 5.467 ( 2.626 -0.000 3.617) 4.470 6.009 ( 4.355 -0.000 1.256) 4.533 7.136 ( 0.075 -0.000 8.342) 8.342 7.144 ( 7.225 -0.000 -1.173) 7.319 7.636 ( -17.723 0.000 8.473) 19.644 9.003 ( -3.734 0.000 -12.260) 12.816 10.469 ( -4.155 0.000 71.740) 71.860 11.879 ( 4.012 -0.000 -16.392) 16.876 12.857 ( -3.239 0.000 1.914) 3.762 13.060 ( -6.465 0.000 8.098) 10.362 16.795 ( -6.593 0.000 4.322) 7.883 17.266 ( -7.468 0.000 -6.963) 10.210 17.300 ( 2.601 -0.000 5.823) 6.377 18.609 ( 3.241 -0.000 27.371) 27.562 ======================= Grid point 357 (167/366) ======================= q-point: (-0.09 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -16.657 0.540 10.392) 19.640 1.006 ( -25.043 -3.468 -5.886) 25.958 1.620 ( -25.933 -2.511 26.161) 36.922 2.239 ( -0.874 -2.003 10.302) 10.532 2.842 ( 0.009 6.808 -16.627) 17.967 3.389 ( 1.887 0.828 -5.864) 6.216 3.417 ( -1.319 -9.046 -7.665) 11.929 3.770 ( 1.238 -0.048 -4.999) 5.150 4.102 ( -2.034 -2.946 -0.393) 3.602 5.463 ( 3.830 2.920 -0.821) 4.885 5.525 ( 1.270 -1.066 1.848) 2.483 6.075 ( 1.416 -1.299 2.336) 3.025 7.120 ( 1.505 5.749 -1.793) 6.207 7.304 ( 5.283 -7.001 1.433) 8.886 7.480 ( -18.695 2.279 11.028) 21.825 8.857 ( -1.496 -1.058 -11.921) 12.061 11.316 ( 22.809 12.459 83.386) 87.343 11.816 ( 6.970 -3.786 -11.730) 14.160 12.835 ( -2.724 0.327 1.847) 3.308 13.053 ( -7.166 -0.351 7.591) 10.445 16.735 ( -5.975 5.861 3.175) 8.952 16.955 ( -9.661 21.792 0.477) 23.842 17.416 ( 0.491 -5.549 -0.087) 5.571 18.946 ( 7.205 -4.253 13.555) 15.929 ======================= Grid point 368 (168/366) ======================= q-point: (-0.09 -0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -13.574 0.000 13.479) 19.130 0.756 ( -17.039 0.000 17.956) 24.753 1.611 ( -21.317 0.000 34.450) 40.511 2.286 ( -5.590 0.000 9.459) 10.987 2.708 ( -0.040 0.000 -18.257) 18.257 3.250 ( -2.923 0.000 -4.670) 5.509 3.356 ( 2.488 -0.000 -7.625) 8.021 3.749 ( 1.823 -0.000 -3.166) 3.654 4.090 ( -0.867 0.000 4.418) 4.502 5.507 ( 2.759 -0.000 -2.830) 3.952 5.528 ( -1.091 0.000 0.506) 1.203 6.068 ( -1.748 0.000 -1.454) 2.274 7.032 ( -8.587 0.000 -12.681) 15.315 7.347 ( 5.724 -0.000 3.002) 6.464 7.466 ( -12.064 0.000 18.967) 22.479 8.757 ( 3.208 -0.000 -8.707) 9.279 11.747 ( 7.907 -0.000 -11.875) 14.267 12.497 ( 27.846 -0.000 14.927) 31.595 13.032 ( -7.455 0.000 7.309) 10.440 13.079 ( 35.827 -0.000 48.163) 60.027 16.724 ( -5.060 0.000 2.662) 5.717 17.069 ( -1.158 0.000 -2.313) 2.587 17.379 ( 0.544 -0.000 -1.143) 1.266 18.826 ( -26.487 0.000 -27.519) 38.194 ======================= Grid point 369 (169/366) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 2.301 -0.000 21.520) 21.643 1.654 ( 3.645 -0.000 19.169) 19.513 2.259 ( -15.156 0.000 3.594) 15.577 2.295 ( 4.917 -0.000 5.776) 7.586 2.770 ( 7.635 -0.000 -1.764) 7.836 3.061 ( 5.022 -0.000 -5.545) 7.481 3.362 ( -6.418 0.000 16.239) 17.462 3.808 ( 6.335 -0.000 0.708) 6.374 4.350 ( 0.373 -0.000 6.425) 6.436 5.282 ( -3.997 0.000 -8.204) 9.126 5.330 ( -7.055 0.000 -4.903) 8.592 5.704 ( -0.598 0.000 -11.351) 11.367 6.607 ( 1.360 -0.000 2.826) 3.137 7.485 ( -3.756 0.000 1.622) 4.091 7.881 ( -13.065 0.000 15.341) 20.151 8.844 ( 18.082 -0.000 -3.482) 18.414 11.696 ( 9.304 -0.000 -1.437) 9.415 12.079 ( -10.961 0.000 -10.839) 15.416 13.216 ( -2.646 0.000 9.719) 10.073 14.956 ( 8.426 -0.000 -10.136) 13.181 15.929 ( -59.089 0.000 7.392) 59.549 16.645 ( -4.655 0.000 -0.338) 4.668 17.132 ( 10.183 -0.000 -0.804) 10.215 17.271 ( -1.958 0.000 -3.525) 4.032 ======================= Grid point 370 (170/366) ======================= q-point: ( 0.09 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 3.802 -0.199 20.775) 21.121 1.913 ( 4.773 -4.255 16.106) 17.329 2.130 ( -11.493 -0.383 3.999) 12.175 2.333 ( -1.251 4.528 3.803) 6.043 2.789 ( 6.497 4.552 -3.884) 8.833 3.123 ( 6.818 -6.447 -7.419) 11.962 3.450 ( -1.588 1.475 12.673) 12.857 3.926 ( 6.523 -3.678 1.996) 7.750 4.422 ( 1.193 -1.759 4.251) 4.753 5.065 ( -11.754 5.169 -4.624) 13.648 5.241 ( -6.994 -5.079 -5.017) 9.994 5.639 ( 6.009 -2.396 -13.106) 14.616 6.707 ( 4.270 -0.209 9.635) 10.541 7.431 ( -3.981 1.728 -0.376) 4.356 7.865 ( -13.013 -1.011 13.425) 18.724 9.020 ( 17.184 1.280 -3.933) 17.675 11.752 ( -10.409 5.047 -3.609) 12.118 11.846 ( -0.699 -3.181 -2.483) 4.096 13.284 ( -3.129 0.719 11.657) 12.091 14.373 ( -47.899 16.053 0.046) 50.517 15.843 ( 7.520 -0.992 7.995) 11.020 16.612 ( -2.530 -2.732 -0.133) 3.726 17.244 ( 1.809 -2.653 -3.618) 4.837 17.361 ( 11.724 -12.370 -2.814) 17.274 ======================= Grid point 371 (171/366) ======================= q-point: ( 0.18 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 3.376 1.922 16.586) 17.035 2.045 ( -6.341 1.072 5.146) 8.237 2.168 ( 0.416 -3.941 13.188) 13.770 2.252 ( -2.787 5.123 -0.380) 5.845 2.796 ( 3.467 0.063 -0.493) 3.502 3.203 ( 7.711 -4.169 -8.223) 12.019 3.523 ( 1.922 1.250 5.746) 6.186 4.069 ( 5.491 -4.031 1.439) 6.962 4.484 ( 1.192 -3.024 -3.146) 4.523 4.833 ( -13.767 3.236 1.709) 14.246 5.192 ( -5.674 -4.948 -0.559) 7.549 5.637 ( 8.477 -3.077 -13.042) 15.856 6.880 ( 4.445 0.190 13.667) 14.373 7.348 ( -2.859 2.354 -2.532) 4.487 7.854 ( -12.042 -2.584 11.475) 16.833 9.144 ( 14.432 2.861 -5.233) 15.616 11.393 ( -27.876 5.714 2.417) 28.558 11.961 ( 8.838 -2.172 -0.447) 9.112 13.332 ( -5.104 2.199 11.797) 13.040 13.742 ( -32.819 10.567 6.237) 35.037 16.001 ( 6.192 0.193 4.694) 7.772 16.643 ( -0.569 -4.176 0.703) 4.273 17.306 ( 5.823 -5.072 -2.745) 8.196 17.632 ( 13.520 -10.707 -3.291) 17.558 ======================= Grid point 372 (172/366) ======================= q-point: ( 0.27 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 2.602 7.053 3.347) 8.229 2.011 ( -4.013 3.437 9.106) 10.528 2.120 ( -4.388 4.544 -0.570) 6.343 2.342 ( -3.004 -5.107 10.083) 11.695 2.848 ( 1.137 -2.133 1.542) 2.867 3.264 ( 8.319 -2.896 -7.284) 11.431 3.580 ( 2.116 0.068 2.113) 2.991 4.178 ( 6.614 -2.490 -3.287) 7.794 4.410 ( -4.933 0.275 -8.222) 9.593 4.723 ( -11.927 -2.666 7.244) 14.207 5.238 ( -1.170 -4.500 6.954) 8.365 5.665 ( 9.600 -2.964 -11.737) 15.451 7.046 ( 1.617 1.578 13.144) 13.337 7.271 ( 0.113 1.683 -3.004) 3.445 7.856 ( -10.904 -3.981 9.169) 14.792 9.198 ( 10.980 3.834 -7.100) 13.626 11.034 ( -29.537 5.069 10.900) 31.890 12.072 ( 8.003 -0.867 -2.571) 8.451 13.331 ( -7.010 3.367 10.441) 13.019 13.399 ( -18.675 5.226 5.207) 20.080 16.088 ( 0.072 -1.739 4.154) 4.504 16.695 ( -0.690 -3.014 1.962) 3.662 17.451 ( 8.980 -6.299 -1.466) 11.066 17.883 ( 14.006 -6.398 -0.713) 15.415 ======================= Grid point 373 (173/366) ======================= q-point: (-0.64 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -1.403 12.436 -4.782) 13.397 1.960 ( -2.921 5.008 -3.248) 6.645 2.085 ( -3.119 0.823 8.627) 9.211 2.425 ( -7.896 -3.296 10.938) 13.887 2.890 ( 0.547 -1.582 0.361) 1.713 3.346 ( 8.192 -3.621 -5.343) 10.429 3.599 ( -0.227 1.487 1.029) 1.822 4.111 ( -0.582 3.725 -15.831) 16.274 4.382 ( -0.104 -3.813 4.175) 5.655 4.712 ( -8.934 -6.421 6.429) 12.743 5.382 ( 1.360 -3.226 10.934) 11.481 5.719 ( 10.465 -2.398 -8.799) 13.881 7.082 ( -1.094 2.899 0.477) 3.135 7.299 ( 2.630 0.841 7.547) 8.036 7.853 ( -10.623 -4.427 6.000) 12.979 9.181 ( 7.482 3.878 -10.104) 13.157 10.782 ( -26.794 3.093 19.481) 33.272 12.114 ( 6.044 1.563 -5.984) 8.647 13.218 ( -11.309 2.556 3.637) 12.151 13.294 ( -7.039 3.077 8.400) 11.383 16.135 ( -5.255 -4.947 3.939) 8.222 16.739 ( -0.379 -1.386 3.186) 3.495 17.616 ( 7.580 -4.698 -1.136) 8.990 18.134 ( 15.041 -3.529 4.380) 16.058 ======================= Grid point 374 (174/366) ======================= q-point: (-0.55 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -3.427 14.013 -3.218) 14.781 1.796 ( -6.910 2.360 -9.117) 11.681 2.098 ( -4.056 2.855 7.037) 8.609 2.466 ( -7.586 -1.467 12.103) 14.358 2.914 ( 0.882 -0.781 -0.204) 1.196 3.419 ( 1.173 -4.230 -3.929) 5.891 3.564 ( 1.667 5.591 0.072) 5.835 3.902 ( -1.392 3.301 -12.307) 12.818 4.425 ( -5.273 -2.372 1.187) 5.903 4.822 ( 0.837 -9.603 5.391) 11.044 5.529 ( 0.592 -0.798 10.601) 10.647 5.816 ( 11.099 -1.943 -3.412) 11.773 7.019 ( 0.493 2.345 -4.524) 5.119 7.405 ( 1.343 1.538 11.234) 11.418 7.810 ( -11.842 -4.087 2.310) 12.738 9.089 ( 3.997 3.423 -13.989) 14.946 10.703 ( -21.207 -0.381 29.265) 36.144 12.067 ( 4.198 4.401 -8.652) 10.576 13.106 ( -8.237 1.547 2.108) 8.642 13.257 ( -5.727 2.037 6.655) 9.014 16.164 ( -8.984 -8.260 3.775) 12.774 16.784 ( 0.116 -0.673 3.771) 3.832 17.705 ( 3.633 -0.327 -1.189) 3.837 18.429 ( 15.829 -3.147 8.567) 18.272 ======================= Grid point 375 (175/366) ======================= q-point: (-0.45 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -3.915 12.072 1.846) 12.824 1.562 ( -12.607 1.682 -8.327) 15.202 2.062 ( -5.307 3.252 5.851) 8.543 2.509 ( -5.406 0.630 10.820) 12.112 2.923 ( 0.961 1.583 0.569) 1.937 3.364 ( -10.016 -0.216 0.395) 10.026 3.522 ( 8.096 3.613 -10.559) 13.788 3.803 ( 0.999 1.475 -2.118) 2.767 4.355 ( -8.825 -0.827 -0.329) 8.870 5.015 ( 6.048 -8.939 0.076) 10.793 5.608 ( -0.618 1.941 7.204) 7.486 5.970 ( 9.450 -1.952 3.429) 10.240 6.964 ( 1.879 1.238 -4.831) 5.329 7.504 ( 2.137 3.224 10.105) 10.820 7.710 ( -15.207 -4.717 1.024) 15.954 8.933 ( 1.273 2.756 -16.317) 16.597 10.859 ( -12.367 -6.037 37.853) 40.277 11.958 ( 3.688 6.508 -8.689) 11.465 13.008 ( -7.393 1.365 0.691) 7.550 13.233 ( -4.489 1.144 5.114) 6.900 16.196 ( -11.230 -11.260 3.833) 16.359 16.829 ( -0.193 -0.734 3.687) 3.764 17.700 ( 0.788 3.518 -0.615) 3.658 18.735 ( 13.803 -2.701 8.416) 16.390 ======================= Grid point 376 (176/366) ======================= q-point: (-0.36 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -3.849 8.732 5.997) 11.270 1.332 ( -14.917 1.794 2.961) 15.313 2.009 ( -6.144 2.810 5.208) 8.530 2.502 ( -6.107 2.433 5.622) 8.650 2.908 ( 1.817 6.573 3.465) 7.649 3.259 ( -6.831 -1.182 -0.839) 6.983 3.460 ( 4.244 0.760 -12.090) 12.835 3.798 ( -0.755 2.303 3.115) 3.947 4.253 ( -7.041 0.648 0.704) 7.105 5.171 ( 7.750 -6.390 -4.831) 11.146 5.616 ( -1.071 3.151 3.722) 4.993 6.126 ( 4.169 -0.968 5.644) 7.083 6.944 ( 2.109 -0.621 -3.994) 4.560 7.495 ( -1.448 4.520 -5.321) 7.130 7.667 ( -12.543 -5.241 16.108) 21.077 8.756 ( 0.817 1.961 -15.809) 15.951 11.272 ( -0.371 -12.958 35.483) 37.777 11.868 ( 5.671 6.056 -1.370) 8.409 12.911 ( -6.937 0.478 0.960) 7.019 13.214 ( -4.048 0.860 4.134) 5.849 16.243 ( -12.955 -14.168 4.133) 19.638 16.862 ( -1.675 -0.785 3.261) 3.749 17.638 ( -0.643 5.730 -0.234) 5.771 18.958 ( 8.106 -1.308 2.579) 8.606 ======================= Grid point 377 (177/366) ======================= q-point: (-0.27 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -6.144 5.557 9.304) 12.458 1.262 ( -9.450 3.202 19.768) 22.143 1.945 ( -6.163 1.752 3.530) 7.315 2.431 ( -5.714 1.540 2.110) 6.283 2.874 ( 1.067 10.136 6.164) 11.911 3.204 ( -1.319 -2.716 -6.615) 7.271 3.379 ( -2.220 0.738 -4.372) 4.959 3.772 ( -2.667 2.875 3.036) 4.959 4.206 ( -2.385 1.449 4.369) 5.184 5.271 ( 8.120 -4.036 -7.344) 11.668 5.587 ( -1.327 2.593 0.963) 3.068 6.171 ( -2.533 1.493 1.725) 3.409 6.915 ( -2.528 -1.426 -7.460) 8.005 7.389 ( -1.586 1.007 -0.760) 2.026 7.759 ( -8.917 -2.421 18.085) 20.308 8.619 ( 3.631 1.260 -13.080) 13.633 11.578 ( 4.697 -1.591 -2.502) 5.554 12.135 ( 14.900 -10.083 19.698) 26.677 12.922 ( -1.389 -6.638 14.798) 16.278 13.194 ( -3.791 0.806 4.146) 5.675 16.311 ( -14.923 -18.031 4.561) 23.846 16.864 ( -4.234 -0.458 2.775) 5.083 17.545 ( -1.314 6.550 -0.777) 6.726 18.956 ( -3.828 2.850 -10.494) 11.528 ======================= Grid point 378 (178/366) ======================= q-point: (-0.18 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -6.748 4.530 15.861) 17.822 1.359 ( -4.545 6.317 26.408) 27.531 1.934 ( 0.898 -3.597 2.321) 4.374 2.398 ( -5.856 -1.776 5.220) 8.043 2.786 ( -3.285 9.366 3.680) 10.586 3.151 ( 4.516 0.765 -10.615) 11.561 3.323 ( -7.686 0.475 7.128) 10.494 3.744 ( 0.315 2.784 2.061) 3.478 4.231 ( -0.235 1.424 6.796) 6.948 5.328 ( 6.595 -2.807 -8.276) 10.948 5.539 ( -1.827 1.518 -1.927) 3.059 6.069 ( -7.024 3.558 -3.404) 8.578 6.770 ( -6.136 -0.037 -10.097) 11.815 7.423 ( 0.257 -1.970 4.912) 5.298 7.840 ( -10.003 -0.980 17.825) 20.463 8.580 ( 9.698 0.511 -8.868) 13.151 11.585 ( 6.597 1.604 -5.562) 8.777 12.365 ( 2.963 -3.180 -9.131) 10.113 13.164 ( -4.169 0.175 5.483) 6.890 13.566 ( 27.911 -23.360 29.871) 47.085 16.412 ( -18.576 -24.550 4.249) 31.078 16.822 ( -7.444 -0.212 2.273) 7.787 17.434 ( -1.435 6.071 -2.320) 6.656 18.505 ( -25.177 16.250 -25.061) 39.064 ======================= Grid point 379 (179/366) ======================= q-point: (-0.09 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -2.589 2.631 19.979) 20.317 1.477 ( -1.264 6.114 22.690) 23.533 2.109 ( 8.549 -5.987 5.383) 11.743 2.385 ( -12.425 -2.228 5.799) 13.891 2.702 ( 0.520 2.749 2.646) 3.851 3.095 ( 6.361 4.368 -8.052) 11.152 3.315 ( -8.979 -0.044 12.791) 15.628 3.754 ( 3.965 2.317 1.046) 4.710 4.286 ( 0.185 0.886 7.208) 7.265 5.338 ( 2.279 -2.972 -8.342) 9.144 5.462 ( -2.862 1.633 -4.784) 5.808 5.875 ( -7.473 3.380 -7.632) 11.203 6.630 ( -3.139 0.277 -4.980) 5.893 7.484 ( -2.123 -1.867 3.821) 4.753 7.880 ( -11.943 0.026 16.880) 20.678 8.671 ( 15.709 -0.206 -4.984) 16.482 11.616 ( 8.230 0.812 -3.499) 8.980 12.271 ( -3.792 -1.354 -12.191) 12.839 13.172 ( -3.436 0.153 7.090) 7.880 14.464 ( 37.743 -18.660 9.942) 43.262 16.488 ( -40.049 -33.892 0.271) 52.466 16.732 ( -9.666 0.336 0.834) 9.708 17.313 ( -0.802 8.183 -5.823) 10.075 17.556 ( -29.626 32.641 -16.024) 46.903 ======================= Grid point 381 (180/366) ======================= q-point: ( 0.09 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 4.013 -0.000 18.339) 18.773 2.063 ( -5.790 0.000 5.075) 7.699 2.090 ( 4.009 -0.000 12.756) 13.371 2.335 ( -6.470 0.000 2.937) 7.106 2.865 ( 8.337 -0.000 -9.008) 12.274 3.068 ( 4.181 -0.000 -4.946) 6.476 3.575 ( -1.207 0.000 12.043) 12.103 3.998 ( 6.886 -0.000 1.094) 6.972 4.445 ( 2.371 -0.000 -2.272) 3.284 4.895 ( -14.463 0.000 -3.874) 14.972 5.106 ( -5.767 0.000 2.236) 6.185 5.598 ( 9.646 -0.000 -13.184) 16.336 6.882 ( 4.878 -0.000 14.080) 14.901 7.378 ( -3.513 0.000 -3.104) 4.688 7.821 ( -12.571 0.000 11.378) 16.955 9.183 ( 15.331 -0.000 -5.676) 16.348 11.466 ( -29.513 0.000 1.150) 29.535 11.931 ( 9.557 -0.000 0.885) 9.598 13.361 ( -5.212 0.000 12.826) 13.844 13.883 ( -41.820 0.000 2.924) 41.922 16.028 ( 11.729 -0.000 0.322) 11.733 16.586 ( 0.588 -0.000 1.435) 1.551 17.245 ( 6.498 -0.000 -3.017) 7.164 17.472 ( 17.174 -0.000 1.056) 17.206 ======================= Grid point 382 (181/366) ======================= q-point: ( 0.18 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 2.799 1.848 12.547) 12.988 2.068 ( -1.184 2.103 5.896) 6.370 2.198 ( -4.388 -1.224 -0.343) 4.568 2.288 ( -2.405 1.836 9.437) 9.910 2.850 ( 5.123 2.130 -4.296) 7.017 3.122 ( 5.180 -6.190 -6.628) 10.444 3.641 ( -1.008 2.789 8.812) 9.298 4.105 ( 5.843 -2.537 0.861) 6.428 4.409 ( 0.662 -0.192 -10.645) 10.667 4.693 ( -14.038 -0.090 0.449) 14.045 5.138 ( -1.766 -2.716 9.740) 10.265 5.610 ( 10.703 -1.246 -11.616) 15.844 7.075 ( 2.721 0.645 15.535) 15.785 7.296 ( -1.957 0.468 -5.286) 5.656 7.785 ( -10.854 -1.564 8.936) 14.146 9.274 ( 12.077 1.817 -7.949) 14.573 11.117 ( -32.616 1.679 9.056) 33.891 12.053 ( 8.417 -0.506 0.162) 8.434 13.391 ( -8.087 1.379 11.773) 14.349 13.491 ( -25.018 2.018 2.992) 25.277 16.104 ( 4.257 1.511 -1.561) 4.779 16.646 ( 3.384 -0.977 3.452) 4.932 17.344 ( 10.977 -2.165 -2.034) 11.372 17.742 ( 18.986 -3.960 2.143) 19.513 ======================= Grid point 383 (182/366) ======================= q-point: ( 0.27 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 2.865 9.029 -1.290) 9.560 2.055 ( -6.955 2.088 -6.944) 10.048 2.113 ( -1.825 1.828 11.569) 11.854 2.369 ( -3.154 -1.144 10.295) 10.828 2.870 ( 2.681 -0.087 0.030) 2.682 3.202 ( 5.585 -6.563 -6.251) 10.646 3.670 ( -0.432 3.166 6.959) 7.658 4.179 ( 4.630 1.010 -9.917) 10.992 4.296 ( -2.349 -2.188 -3.022) 4.409 4.579 ( -12.132 -4.048 3.388) 13.231 5.295 ( 1.863 -3.264 13.226) 13.750 5.664 ( 11.120 -1.834 -8.522) 14.130 7.157 ( -1.285 3.054 0.489) 3.350 7.288 ( 0.553 -1.524 7.840) 8.006 7.764 ( -8.668 -2.593 5.664) 10.674 9.277 ( 8.312 3.312 -10.697) 13.946 10.833 ( -30.415 1.112 16.320) 34.535 12.138 ( 6.606 0.494 -2.140) 6.961 13.262 ( -14.174 1.149 1.800) 14.334 13.363 ( -9.319 2.202 9.398) 13.417 16.093 ( -1.417 0.483 -0.630) 1.625 16.736 ( 3.897 0.784 4.816) 6.244 17.507 ( 11.642 -3.555 -1.297) 12.241 18.051 ( 19.230 -3.014 4.516) 19.981 ======================= Grid point 384 (183/366) ======================= q-point: (-0.64 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -0.808 13.602 -3.022) 13.957 1.849 ( -7.319 2.286 -11.359) 13.705 2.169 ( -2.541 2.529 9.137) 9.816 2.430 ( -4.592 -0.999 10.257) 11.282 2.906 ( 2.889 0.067 0.388) 2.916 3.290 ( 3.173 -5.902 -3.711) 7.660 3.692 ( 1.162 4.100 6.003) 7.361 3.996 ( -1.669 4.284 -15.693) 16.352 4.344 ( -3.797 -3.926 1.150) 5.582 4.589 ( -4.071 -8.684 5.595) 11.104 5.486 ( 2.028 -2.260 13.069) 13.417 5.765 ( 11.313 -2.081 -3.773) 12.106 7.081 ( 0.468 2.512 -5.820) 6.356 7.400 ( -3.146 -1.517 12.927) 13.391 7.735 ( -6.849 -2.075 1.246) 7.264 9.190 ( 4.809 4.239 -14.034) 15.429 10.682 ( -25.612 -1.232 23.862) 35.027 12.154 ( 4.751 2.683 -4.785) 7.258 13.129 ( -8.867 0.459 0.704) 8.906 13.307 ( -8.182 1.874 6.908) 10.871 16.059 ( -4.984 -1.192 1.229) 5.270 16.808 ( 3.441 2.420 4.910) 6.466 17.663 ( 8.739 -2.601 -1.159) 9.191 18.369 ( 18.414 -1.739 7.644) 20.013 ======================= Grid point 385 (184/366) ======================= q-point: (-0.55 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -10.726 9.408 1.755) 14.374 1.610 ( -1.027 7.846 -13.716) 15.835 2.160 ( -5.056 4.205 7.701) 10.127 2.491 ( -3.472 -1.323 9.051) 9.784 2.949 ( 4.675 0.759 0.267) 4.744 3.329 ( -3.117 -2.618 0.486) 4.100 3.674 ( 2.789 7.546 -6.201) 10.157 3.826 ( 0.802 0.538 -5.272) 5.360 4.298 ( -10.460 -3.319 0.723) 10.997 4.768 ( 3.868 -10.649 3.516) 11.863 5.631 ( -0.040 0.005 10.694) 10.694 5.917 ( 10.657 -2.265 1.612) 11.013 7.007 ( 1.921 2.012 -6.418) 6.995 7.490 ( -8.800 -3.354 13.858) 16.755 7.668 ( -3.703 0.565 -2.950) 4.768 9.028 ( 2.392 4.614 -16.633) 17.426 10.715 ( -19.151 -5.586 31.190) 37.024 12.103 ( 3.745 5.064 -6.123) 8.784 13.031 ( -6.995 0.511 -0.480) 7.030 13.259 ( -6.142 0.945 4.974) 7.960 16.032 ( -7.046 -2.846 3.430) 8.337 16.857 ( 2.735 2.910 4.276) 5.851 17.748 ( 4.865 0.433 -1.109) 5.008 18.680 ( 15.839 -1.552 8.216) 17.910 ======================= Grid point 386 (185/366) ======================= q-point: (-0.45 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -9.643 3.008 -5.627) 11.562 1.412 ( -2.108 13.015 4.963) 14.088 2.107 ( -6.342 4.766 7.622) 11.002 2.527 ( -5.314 -0.180 6.085) 8.081 3.009 ( 7.456 1.674 -0.032) 7.642 3.289 ( -8.345 2.460 5.807) 10.460 3.511 ( 5.461 3.834 -17.746) 18.959 3.843 ( 1.087 1.337 2.616) 3.133 4.221 ( -9.592 -2.873 2.515) 10.324 4.971 ( 5.772 -9.592 -0.203) 11.197 5.687 ( -2.095 2.428 7.095) 7.786 6.089 ( 7.379 -1.867 4.317) 8.751 6.957 ( 2.534 1.250 -5.544) 6.222 7.472 ( -15.350 -4.506 1.516) 16.070 7.647 ( 0.764 2.156 8.209) 8.522 8.834 ( 2.202 4.300 -16.697) 17.382 10.958 ( -11.288 -11.979 34.582) 38.300 12.023 ( 3.976 6.163 -4.460) 8.584 12.930 ( -6.700 0.795 -1.370) 6.885 13.229 ( -4.727 0.305 3.888) 6.128 16.025 ( -8.549 -4.216 5.696) 11.104 16.887 ( 1.769 2.789 3.441) 4.770 17.754 ( 1.897 3.516 -0.787) 4.071 18.925 ( 10.585 -1.074 4.046) 11.382 ======================= Grid point 387 (186/366) ======================= q-point: (-0.36 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -4.045 6.483 0.796) 7.683 1.358 ( -3.089 6.038 15.439) 16.863 2.038 ( -7.194 5.073 7.383) 11.489 2.477 ( -7.911 1.859 3.523) 8.858 3.078 ( 8.628 3.386 -0.947) 9.317 3.186 ( -6.121 4.317 0.103) 7.490 3.403 ( 4.685 1.021 -11.063) 12.057 3.833 ( -3.218 1.931 2.883) 4.732 4.208 ( -3.654 -1.293 6.278) 7.378 5.131 ( 5.826 -7.351 -3.016) 9.853 5.667 ( -3.074 3.586 3.440) 5.843 6.191 ( 1.573 0.066 1.685) 2.306 6.912 ( 0.099 1.004 -6.355) 6.435 7.349 ( -10.399 -3.642 -0.552) 11.032 7.735 ( -3.285 0.223 14.423) 14.794 8.675 ( 4.736 3.447 -14.079) 15.249 11.352 ( -2.556 -15.709 23.036) 28.000 12.012 ( 5.090 1.330 4.811) 7.129 12.842 ( -6.159 -0.790 2.205) 6.589 13.208 ( -4.240 0.226 3.655) 5.603 16.033 ( -10.614 -5.210 8.046) 14.302 16.895 ( 0.226 2.853 2.549) 3.832 17.700 ( -0.088 5.736 -0.717) 5.781 19.005 ( 2.092 1.436 -5.040) 5.642 ======================= Grid point 388 (187/366) ======================= q-point: (-0.27 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -4.386 5.388 11.002) 13.012 1.482 ( 2.615 3.117 20.878) 21.271 1.951 ( -6.498 4.892 5.602) 9.876 2.395 ( -7.885 1.275 4.945) 9.394 3.010 ( -3.615 8.481 -3.612) 9.902 3.128 ( 5.516 -1.509 -8.106) 9.920 3.380 ( 3.672 3.105 -0.111) 4.810 3.808 ( -1.373 2.047 4.112) 4.794 4.263 ( -0.716 0.885 8.866) 8.939 5.230 ( 3.640 -5.123 -4.696) 7.845 5.601 ( -2.756 3.273 -0.708) 4.337 6.152 ( -3.456 2.794 -3.124) 5.433 6.788 ( -4.369 1.719 -8.719) 9.903 7.335 ( -4.768 -5.084 4.377) 8.231 7.825 ( -6.494 -0.185 16.052) 17.317 8.610 ( 9.466 2.154 -9.671) 13.703 11.583 ( 3.867 -4.171 -0.818) 5.746 12.202 ( 2.034 -9.334 1.258) 9.636 12.982 ( 0.190 -15.016 23.948) 28.267 13.196 ( -3.557 -0.645 4.809) 6.016 16.042 ( -14.513 -6.068 10.517) 18.922 16.867 ( -1.898 3.431 1.669) 4.262 17.601 ( -1.479 7.072 -1.383) 7.356 18.803 ( -9.094 8.603 -16.829) 20.974 ======================= Grid point 389 (188/366) ======================= q-point: (-0.18 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -3.734 3.888 18.183) 18.965 1.688 ( 2.318 7.782 23.625) 24.981 1.932 ( 1.913 -4.268 2.870) 5.487 2.346 ( -10.200 -0.355 7.045) 12.402 2.830 ( -2.275 6.954 -3.930) 8.305 3.127 ( 4.285 -1.894 -7.925) 9.206 3.390 ( 3.167 5.343 3.295) 7.031 3.831 ( 2.746 3.081 4.728) 6.276 4.328 ( -0.147 2.404 9.492) 9.793 5.246 ( -2.386 -3.952 -5.278) 7.012 5.514 ( -0.528 2.417 -5.585) 6.109 5.993 ( -5.619 5.198 -7.159) 10.481 6.649 ( -2.813 1.466 -4.680) 5.654 7.396 ( -3.889 -5.132 4.509) 7.861 7.883 ( -9.562 0.299 16.054) 18.688 8.669 ( 14.299 0.351 -5.423) 15.297 11.637 ( 6.641 -0.109 -3.741) 7.623 12.198 ( -5.005 -4.734 -10.991) 12.972 13.176 ( -3.829 0.044 6.793) 7.798 13.684 ( 7.684 -36.562 25.531) 45.251 16.012 ( -21.978 -5.930 12.647) 26.041 16.796 ( -3.809 4.224 0.798) 5.744 17.470 ( -2.063 7.255 -2.692) 8.009 18.257 ( -15.671 21.372 -22.937) 35.049 ======================= Grid point 390 (189/366) ======================= q-point: (-0.09 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 0.243 2.289 21.014) 21.139 1.787 ( 2.131 9.311 18.393) 20.725 2.151 ( 6.070 -10.355 4.991) 12.999 2.258 ( -13.761 0.113 5.397) 14.782 2.744 ( 1.717 2.519 -0.828) 3.159 3.141 ( 7.120 -0.393 -7.184) 10.122 3.388 ( -0.392 4.594 6.932) 8.325 3.878 ( 5.204 4.317 3.812) 7.762 4.381 ( 0.228 2.708 7.949) 8.400 5.175 ( -8.565 -4.665 -5.319) 11.109 5.412 ( -1.297 3.080 -7.679) 8.375 5.781 ( -2.332 5.473 -10.595) 12.151 6.616 ( 1.275 0.787 2.780) 3.158 7.437 ( -4.033 -3.747 2.310) 5.970 7.894 ( -11.922 0.995 15.070) 19.242 8.827 ( 16.982 -1.158 -3.487) 17.375 11.697 ( 7.445 -0.541 -2.266) 7.801 12.043 ( -10.441 -2.646 -10.121) 14.779 13.211 ( -3.003 -0.406 9.047) 9.541 14.359 ( -9.075 -39.176 7.969) 40.995 15.873 ( -24.162 1.045 13.199) 27.552 16.698 ( -3.862 4.171 -0.082) 5.684 17.334 ( -1.074 5.928 -3.908) 7.181 17.618 ( -3.423 26.052 -14.264) 29.898 ======================= Grid point 393 (190/366) ======================= q-point: ( 0.18 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 1.069 -0.000 6.272) 6.362 2.076 ( -9.408 0.000 -4.822) 10.571 2.166 ( 4.156 -0.000 5.230) 6.681 2.355 ( -2.736 0.000 8.063) 8.514 2.875 ( 3.979 -0.000 -3.122) 5.058 3.103 ( 5.078 -0.000 -2.695) 5.749 3.716 ( -3.022 0.000 8.768) 9.274 4.170 ( 5.560 -0.000 1.075) 5.663 4.285 ( -0.897 0.000 -14.675) 14.703 4.527 ( -13.387 0.000 1.653) 13.489 5.250 ( 2.307 -0.000 14.481) 14.663 5.640 ( 11.418 -0.000 -8.493) 14.230 7.216 ( -0.412 0.000 -7.838) 7.849 7.246 ( -1.269 0.000 16.088) 16.138 7.732 ( -7.856 0.000 5.774) 9.750 9.320 ( 8.429 -0.000 -10.879) 13.763 10.845 ( -31.738 0.000 15.026) 35.115 12.143 ( 6.832 -0.000 -0.667) 6.865 13.276 ( -15.268 0.000 1.106) 15.308 13.391 ( -10.277 0.000 9.771) 14.180 16.107 ( -0.428 0.000 -3.113) 3.142 16.751 ( 5.873 -0.000 5.971) 8.375 17.461 ( 13.073 -0.000 -2.160) 13.251 18.009 ( 21.545 -0.000 5.306) 22.188 ======================= Grid point 394 (191/366) ======================= q-point: ( 0.27 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -12.005 0.631 -7.940) 14.407 2.070 ( 2.053 4.759 -4.953) 7.170 2.240 ( 1.726 4.230 7.689) 8.944 2.402 ( -3.446 -2.037 7.668) 8.650 2.910 ( 3.319 0.140 1.157) 3.517 3.168 ( 5.062 -3.097 -1.595) 6.144 3.757 ( -2.118 1.274 8.698) 9.042 4.095 ( -2.074 3.087 -15.332) 15.777 4.252 ( 0.476 -2.932 -0.044) 2.971 4.431 ( -8.669 -3.580 4.744) 10.511 5.441 ( 3.508 -1.105 14.623) 15.079 5.725 ( 11.470 -0.920 -3.858) 12.136 7.132 ( 1.406 1.340 -8.646) 8.861 7.359 ( -6.459 -1.291 14.977) 16.361 7.703 ( -3.904 -0.623 1.883) 4.379 9.270 ( 4.714 1.822 -13.707) 14.609 10.655 ( -27.646 -0.738 20.424) 34.380 12.198 ( 5.163 0.879 -2.382) 5.753 13.134 ( -9.181 0.061 -0.141) 9.182 13.341 ( -9.927 0.766 6.962) 12.149 16.059 ( -3.062 0.375 -1.152) 3.293 16.873 ( 5.406 2.016 6.532) 8.715 17.605 ( 11.965 -1.526 -2.288) 12.277 18.339 ( 20.863 -0.691 7.480) 22.175 ======================= Grid point 395 (192/366) ======================= q-point: (-0.64 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -14.287 0.825 -7.121) 15.985 1.932 ( 2.288 9.741 -8.990) 13.451 2.256 ( -3.178 4.170 8.235) 9.763 2.462 ( -1.521 -1.424 6.228) 6.567 2.968 ( 4.499 0.760 1.785) 4.899 3.252 ( 3.133 -3.089 0.048) 4.400 3.811 ( 0.435 1.354 8.030) 8.155 3.867 ( -2.961 4.573 -14.903) 15.867 4.215 ( -10.435 -3.003 0.563) 10.873 4.529 ( 2.450 -8.026 4.781) 9.658 5.621 ( 1.800 -0.525 12.840) 12.976 5.866 ( 10.835 -1.685 1.245) 11.035 7.054 ( 2.755 1.636 -8.770) 9.336 7.409 ( -11.210 -2.663 12.447) 16.961 7.683 ( -0.606 0.405 -0.357) 0.811 9.133 ( 2.306 3.464 -15.980) 16.513 10.598 ( -22.324 -3.633 25.866) 34.361 12.200 ( 4.030 2.755 -4.095) 6.372 13.035 ( -6.502 -0.047 -1.218) 6.615 13.278 ( -7.783 0.566 4.542) 9.029 16.012 ( -4.335 0.353 2.176) 4.864 16.953 ( 4.223 4.163 5.660) 8.197 17.732 ( 8.859 -1.367 -2.221) 9.234 18.659 ( 17.465 -0.366 8.018) 19.221 ======================= Grid point 396 (193/366) ======================= q-point: (-0.55 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -13.617 0.749 -1.640) 13.736 1.742 ( 2.378 11.420 -8.018) 14.155 2.226 ( -6.301 4.820 9.307) 12.229 2.510 ( -1.559 -0.932 3.854) 4.261 3.033 ( 6.184 0.915 0.170) 6.253 3.313 ( 0.763 -0.608 3.209) 3.353 3.632 ( -1.500 4.814 -15.590) 16.385 3.876 ( 1.075 1.836 5.499) 5.897 4.136 ( -11.031 -3.640 4.149) 12.335 4.724 ( 4.592 -9.867 2.723) 11.219 5.732 ( -1.367 1.232 10.021) 10.189 6.040 ( 8.752 -2.005 4.154) 9.893 6.992 ( 3.410 1.442 -7.831) 8.662 7.376 ( -13.778 -3.002 4.619) 14.839 7.688 ( 0.145 1.060 4.566) 4.690 8.950 ( 2.351 4.626 -16.417) 17.218 10.705 ( -16.635 -8.381 29.996) 35.309 12.156 ( 3.709 4.511 -4.835) 7.582 12.943 ( -5.991 0.217 -2.295) 6.419 13.230 ( -5.600 -0.092 3.219) 6.460 15.990 ( -4.782 0.433 5.830) 7.553 16.989 ( 3.301 5.091 4.445) 7.522 17.803 ( 5.358 0.560 -2.023) 5.754 18.911 ( 12.080 -0.101 5.276) 13.182 ======================= Grid point 397 (194/366) ======================= q-point: (-0.45 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -7.226 0.818 4.545) 8.575 1.578 ( 1.430 9.786 -2.214) 10.135 2.171 ( -7.967 5.615 10.735) 14.500 2.507 ( -4.427 0.524 2.297) 5.015 3.087 ( 5.855 0.136 -3.802) 6.983 3.351 ( -0.652 4.974 7.174) 8.754 3.430 ( 3.720 2.158 -16.401) 16.955 3.866 ( -4.662 0.993 2.040) 5.184 4.158 ( -3.064 -2.395 9.818) 10.560 4.918 ( 4.418 -9.681 0.612) 10.659 5.751 ( -4.285 3.053 6.701) 8.520 6.178 ( 4.630 -0.996 2.133) 5.195 6.945 ( 2.535 1.391 -6.900) 7.482 7.259 ( -12.593 -2.977 -0.353) 12.945 7.746 ( -2.082 0.427 11.011) 11.214 8.783 ( 5.040 4.975 -14.266) 15.927 10.966 ( -11.120 -14.097 29.296) 34.361 12.102 ( 3.926 4.551 -3.527) 6.969 12.842 ( -6.078 0.309 -1.785) 6.342 13.204 ( -4.457 -0.475 3.044) 5.418 15.996 ( -5.070 0.945 9.236) 10.578 16.998 ( 2.404 5.276 3.285) 6.664 17.810 ( 2.473 3.048 -1.760) 4.302 19.035 ( 4.978 1.057 -1.208) 5.231 ======================= Grid point 398 (195/366) ======================= q-point: (-0.36 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -1.998 3.687 5.276) 6.740 1.544 ( 2.802 2.796 8.048) 8.969 2.104 ( -8.950 6.610 12.353) 16.626 2.443 ( -6.811 2.123 3.068) 7.766 3.081 ( 3.536 -0.535 -10.564) 11.153 3.226 ( -1.086 7.378 -4.945) 8.948 3.444 ( 7.652 2.007 -0.403) 7.921 3.834 ( -2.423 0.121 3.623) 4.361 4.270 ( 0.307 -0.178 12.212) 12.217 5.070 ( 2.706 -8.042 -1.359) 8.593 5.689 ( -5.930 3.762 2.581) 7.482 6.201 ( 0.107 1.235 -3.119) 3.356 6.849 ( -2.086 2.868 -8.597) 9.299 7.198 ( -7.312 -5.453 3.362) 9.721 7.826 ( -4.736 0.166 14.368) 15.130 8.691 ( 9.111 4.389 -10.162) 14.337 11.296 ( -6.301 -16.657 18.122) 25.408 12.089 ( 2.945 0.778 -1.158) 3.259 12.794 ( -4.878 -2.785 6.381) 8.501 13.189 ( -4.240 -0.429 3.622) 5.593 16.015 ( -6.051 2.123 12.115) 13.707 16.980 ( 1.095 5.549 2.213) 6.073 17.758 ( 0.284 5.347 -1.793) 5.647 18.960 ( -3.240 4.687 -10.127) 11.620 ======================= Grid point 399 (196/366) ======================= q-point: (-0.27 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -3.201 3.018 11.130) 11.968 1.705 ( 7.985 -2.923 8.020) 11.689 2.037 ( -8.137 8.343 15.430) 19.336 2.368 ( -8.545 1.876 5.904) 10.554 2.985 ( 3.192 3.428 -11.944) 12.830 3.108 ( -1.547 2.913 -3.217) 4.608 3.500 ( 8.320 3.371 -1.739) 9.144 3.878 ( 3.176 0.659 4.538) 5.578 4.389 ( 0.604 2.273 13.360) 13.565 5.139 ( -2.029 -5.336 -3.167) 6.529 5.577 ( -4.995 2.733 -2.842) 6.363 6.102 ( -2.609 3.546 -7.411) 8.620 6.705 ( -2.428 2.966 -5.227) 6.482 7.248 ( -4.743 -6.593 4.733) 9.400 7.894 ( -7.389 0.597 15.558) 17.234 8.703 ( 12.556 2.681 -5.931) 14.143 11.515 ( -2.724 -11.602 2.746) 12.229 12.085 ( -1.522 -2.179 -5.922) 6.491 13.002 ( -2.731 -16.025 23.065) 28.218 13.184 ( -4.181 -0.783 4.854) 6.454 16.020 ( -8.180 4.073 14.137) 16.833 16.928 ( -0.685 6.234 1.305) 6.406 17.654 ( -1.239 7.222 -2.361) 7.699 18.643 ( -9.388 11.343 -17.958) 23.223 ======================= Grid point 400 (197/366) ======================= q-point: (-0.18 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -2.012 0.353 17.530) 17.648 1.908 ( 5.694 -7.529 0.536) 9.455 2.033 ( -1.308 9.336 20.276) 22.361 2.285 ( -11.763 1.942 6.434) 13.548 2.883 ( 1.982 7.284 -2.112) 7.839 3.062 ( 3.040 -3.496 -7.002) 8.396 3.524 ( 7.400 4.878 -2.999) 9.357 3.961 ( 5.754 1.973 3.658) 7.099 4.477 ( 0.314 4.625 12.060) 12.920 5.081 ( -9.386 -3.250 -4.297) 10.822 5.464 ( -1.962 1.184 -6.737) 7.116 5.924 ( -2.326 5.476 -10.507) 12.075 6.648 ( 0.853 1.885 2.229) 3.041 7.314 ( -3.910 -6.037 3.211) 7.877 7.926 ( -9.804 1.549 15.166) 18.125 8.808 ( 14.425 0.093 -3.512) 14.847 11.597 ( -4.115 -9.080 -2.353) 10.243 11.998 ( -2.595 0.202 -7.256) 7.709 13.197 ( -3.742 -0.778 7.470) 8.391 13.473 ( -8.808 -28.863 22.720) 37.773 15.982 ( -9.618 6.756 14.336) 18.538 16.837 ( -2.289 6.864 0.594) 7.260 17.513 ( -1.402 8.169 -3.205) 8.887 18.163 ( -7.030 17.664 -19.180) 27.006 ======================= Grid point 401 (198/366) ======================= q-point: (-0.09 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 1.191 -0.828 18.931) 18.987 2.020 ( -1.547 -1.878 7.679) 8.056 2.156 ( 2.425 2.490 7.346) 8.127 2.179 ( -8.346 -1.068 6.769) 10.799 2.806 ( 0.320 5.506 0.646) 5.553 3.142 ( 8.505 -4.748 -4.309) 10.651 3.504 ( 4.779 5.591 -2.082) 7.644 4.029 ( 5.767 3.411 2.472) 7.142 4.511 ( 0.574 5.378 6.353) 8.343 4.948 ( -12.824 -3.960 -2.292) 13.616 5.346 ( -4.124 2.786 -6.169) 7.926 5.741 ( 2.909 5.311 -12.535) 13.921 6.718 ( 3.656 0.700 9.115) 9.846 7.353 ( -3.327 -4.411 0.562) 5.554 7.910 ( -11.541 2.461 13.633) 18.031 8.971 ( 15.082 -2.192 -3.465) 15.629 11.575 ( -16.115 -9.574 -2.284) 18.883 11.925 ( 4.285 3.372 -3.163) 6.304 13.252 ( -3.634 -1.792 9.883) 10.682 13.801 ( -24.677 -25.421 13.279) 37.836 15.932 ( -2.951 6.392 11.207) 13.235 16.727 ( -2.443 6.295 0.109) 6.753 17.376 ( 0.921 7.488 -3.546) 8.336 17.764 ( 4.037 17.082 -11.944) 21.231 ======================= Grid point 405 (199/366) ======================= q-point: ( 0.27 0.27 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -14.706 0.000 -7.035) 16.302 2.042 ( 0.840 -0.000 -9.606) 9.642 2.383 ( 4.820 -0.000 3.448) 5.926 2.385 ( -6.509 0.000 8.012) 10.323 2.979 ( 3.895 -0.000 3.498) 5.235 3.209 ( 5.237 -0.000 0.147) 5.239 3.818 ( -1.619 0.000 5.000) 5.256 3.941 ( -3.984 0.000 -9.134) 9.966 4.173 ( -9.173 0.000 -0.667) 9.197 4.421 ( 1.673 -0.000 5.184) 5.448 5.613 ( 2.714 -0.000 13.561) 13.830 5.844 ( 10.847 -0.000 1.135) 10.906 7.076 ( 3.556 -0.000 -10.463) 11.051 7.375 ( -11.699 0.000 13.098) 17.562 7.688 ( -0.119 0.000 0.342) 0.362 9.178 ( 2.127 -0.000 -15.520) 15.665 10.551 ( -23.137 0.000 23.802) 33.194 12.234 ( 4.214 -0.000 -3.314) 5.361 13.034 ( -6.338 0.000 -1.500) 6.513 13.285 ( -8.485 0.000 4.356) 9.538 16.020 ( -3.571 0.000 1.590) 3.909 17.014 ( 4.327 -0.000 6.651) 7.935 17.709 ( 10.705 -0.000 -3.262) 11.191 18.655 ( 18.181 -0.000 7.979) 19.855 ======================= Grid point 406 (200/366) ======================= q-point: ( 0.36 0.27 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -14.547 0.183 -1.804) 14.660 1.922 ( 1.261 3.243 -12.819) 13.283 2.347 ( -5.413 4.638 8.663) 11.218 2.475 ( 1.284 -2.120 1.880) 3.111 3.060 ( 4.878 0.939 2.561) 5.589 3.284 ( 4.868 -1.134 0.711) 5.049 3.705 ( -3.883 1.200 -13.130) 13.744 3.942 ( -0.789 2.815 10.267) 10.675 4.057 ( -11.026 -2.459 2.392) 11.547 4.533 ( 3.871 -4.708 3.896) 7.233 5.751 ( -0.205 0.385 11.460) 11.469 6.001 ( 8.962 -0.956 4.309) 9.990 7.020 ( 4.448 0.678 -10.238) 11.184 7.327 ( -12.582 -1.008 6.164) 14.047 7.703 ( -0.088 0.284 3.748) 3.760 9.036 ( 2.106 1.999 -15.710) 15.976 10.560 ( -18.350 -3.113 26.724) 32.567 12.234 ( 3.894 1.674 -4.753) 6.369 12.944 ( -5.566 -0.054 -2.598) 6.143 13.228 ( -6.271 -0.076 2.695) 6.827 16.009 ( -3.326 0.598 5.710) 6.635 17.099 ( 2.952 2.935 5.690) 7.050 17.797 ( 8.316 -0.558 -3.565) 9.065 18.913 ( 12.644 0.139 5.805) 13.914 ======================= Grid point 407 (201/366) ======================= q-point: (-0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -9.065 -0.226 5.463) 10.586 1.763 ( 1.376 4.780 -12.389) 13.350 2.306 ( -7.184 5.071 10.853) 13.968 2.505 ( -0.908 -0.681 0.246) 1.161 3.110 ( 4.996 1.470 -2.568) 5.806 3.368 ( 5.812 -1.306 -0.054) 5.957 3.525 ( -2.901 3.366 -8.004) 9.154 3.892 ( -8.581 1.136 2.045) 8.894 4.112 ( -0.297 -1.070 13.151) 13.197 4.690 ( 3.369 -7.990 2.682) 9.076 5.811 ( -4.115 1.765 8.811) 9.884 6.147 ( 5.711 -1.327 3.169) 6.664 6.973 ( 4.187 0.824 -8.559) 9.564 7.213 ( -11.719 -0.974 -0.914) 11.795 7.754 ( -1.825 0.227 9.572) 9.747 8.897 ( 4.902 3.809 -13.701) 15.042 10.695 ( -14.179 -7.777 27.702) 32.077 12.200 ( 4.108 3.057 -5.990) 7.880 12.847 ( -5.785 0.046 -2.855) 6.452 13.190 ( -4.624 -0.528 2.476) 5.272 16.035 ( -2.660 1.607 9.840) 10.319 17.129 ( 2.067 4.788 4.383) 6.812 17.850 ( 5.531 0.433 -3.362) 6.487 19.057 ( 5.933 0.711 0.928) 6.048 ======================= Grid point 408 (202/366) ======================= q-point: (-0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -0.848 0.136 7.786) 7.834 1.624 ( 0.909 3.123 -7.149) 7.854 2.258 ( -8.784 5.696 13.269) 16.902 2.477 ( -4.036 0.541 0.472) 4.099 3.085 ( 3.895 0.772 -10.671) 11.386 3.371 ( 0.437 3.870 -5.735) 6.933 3.486 ( 5.815 1.816 3.058) 6.817 3.827 ( -4.985 -0.423 4.199) 6.532 4.266 ( 2.116 0.025 14.348) 14.504 4.849 ( 1.586 -9.313 1.350) 9.544 5.776 ( -7.820 3.083 5.162) 9.864 6.212 ( 2.241 -0.279 -2.312) 3.232 6.914 ( 0.699 2.211 -8.480) 8.792 7.092 ( -8.087 -2.954 -0.228) 8.613 7.831 ( -3.856 0.249 13.795) 14.325 8.811 ( 8.894 4.962 -9.897) 14.201 10.921 ( -11.440 -12.574 24.078) 29.475 12.152 ( 4.482 3.135 -6.474) 8.476 12.762 ( -5.434 -0.536 0.282) 5.468 13.173 ( -4.086 -0.745 3.224) 5.258 16.089 ( -2.245 3.175 13.121) 13.685 17.122 ( 1.294 5.593 3.156) 6.551 17.854 ( 3.046 2.465 -3.054) 4.968 19.046 ( -1.067 2.482 -5.891) 6.481 ======================= Grid point 409 (203/366) ======================= q-point: (-0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -0.359 3.236 3.439) 4.736 1.631 ( 5.234 -2.982 1.313) 6.165 2.218 ( -9.179 6.095 16.801) 20.091 2.413 ( -6.907 1.259 2.803) 7.559 3.003 ( 4.815 0.098 -14.476) 15.256 3.262 ( -2.070 7.385 -0.513) 7.687 3.559 ( 7.703 1.619 -1.131) 7.952 3.872 ( 2.398 -0.875 5.500) 6.063 4.432 ( 2.542 1.194 15.127) 15.386 4.968 ( -1.595 -8.513 -0.344) 8.668 5.649 ( -10.002 3.095 -0.311) 10.475 6.166 ( 0.092 1.649 -7.882) 8.053 6.784 ( -2.138 3.278 -6.168) 7.305 7.095 ( -4.075 -5.500 2.956) 7.456 7.911 ( -5.949 0.740 15.857) 16.953 8.800 ( 11.642 4.987 -5.964) 13.999 11.151 ( -10.953 -15.146 14.550) 23.687 12.105 ( 4.181 2.507 -7.553) 8.989 12.776 ( -3.649 -4.613 9.867) 11.488 13.168 ( -4.228 -0.702 4.356) 6.111 16.145 ( -2.868 5.367 15.167) 16.342 17.085 ( 0.097 6.185 2.162) 6.552 17.805 ( 1.148 4.894 -2.957) 5.832 18.852 ( -7.050 6.145 -12.791) 15.845 ======================= Grid point 410 (204/366) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -1.548 0.543 8.913) 9.063 1.767 ( 7.142 -4.606 -1.853) 8.698 2.224 ( -6.640 5.856 19.533) 21.446 2.335 ( -10.021 1.755 6.466) 12.054 2.952 ( 8.179 -1.297 -12.399) 14.910 3.130 ( -3.114 8.674 0.373) 9.224 3.613 ( 8.413 2.441 -3.175) 9.318 3.980 ( 6.149 -0.013 3.691) 7.172 4.578 ( 1.733 3.193 14.582) 15.028 4.987 ( -7.654 -5.144 -2.583) 9.577 5.481 ( -7.964 0.562 -5.016) 9.429 6.035 ( -0.331 3.544 -11.452) 11.993 6.705 ( 0.048 2.621 0.957) 2.790 7.156 ( -3.030 -6.424 2.955) 7.693 7.967 ( -8.037 1.723 16.077) 18.056 8.850 ( 12.316 3.482 -3.479) 13.263 11.283 ( -13.187 -14.656 5.112) 20.367 12.046 ( 4.543 2.921 -7.983) 9.639 12.982 ( -3.881 -12.549 18.114) 22.375 13.175 ( -4.271 -0.944 6.090) 7.498 16.169 ( -4.644 7.979 15.624) 18.148 17.012 ( -1.749 6.972 1.490) 7.341 17.708 ( 0.192 7.285 -3.062) 7.905 18.500 ( -8.673 10.403 -16.832) 21.605 ======================= Grid point 411 (205/366) ======================= q-point: (-0.18 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 0.153 -3.107 14.031) 14.372 1.868 ( 3.742 -5.687 -3.062) 7.464 2.207 ( -10.792 1.810 5.894) 12.429 2.313 ( -3.562 6.326 17.661) 19.095 2.984 ( -2.170 3.372 -3.014) 5.016 3.018 ( 10.266 0.814 -2.881) 10.693 3.634 ( 7.915 4.299 -5.014) 10.308 4.079 ( 6.837 1.083 1.464) 7.075 4.655 ( 0.242 5.564 7.715) 9.515 4.869 ( -13.955 -2.778 -0.445) 14.236 5.366 ( -4.068 -1.070 -5.029) 6.556 5.869 ( 1.861 4.726 -13.121) 14.070 6.742 ( 2.485 1.230 7.889) 8.362 7.224 ( -2.016 -5.963 1.124) 6.394 7.978 ( -9.883 2.989 14.723) 17.983 8.944 ( 12.114 0.584 -2.901) 12.471 11.292 ( -18.406 -12.868 2.263) 22.572 12.008 ( 6.829 3.237 -5.883) 9.577 13.197 ( -4.860 -3.644 7.832) 9.911 13.281 ( -8.856 -15.053 17.190) 24.505 16.137 ( -5.667 9.773 13.854) 17.876 16.901 ( -3.735 7.434 0.993) 8.379 17.583 ( 1.099 8.849 -3.062) 9.428 18.122 ( -2.868 11.901 -15.009) 19.368 ======================= Grid point 412 (206/366) ======================= q-point: (-0.09 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 1.827 -4.656 12.242) 13.224 1.947 ( -1.023 -6.807 -0.451) 6.898 2.124 ( -8.601 -0.620 5.695) 10.334 2.348 ( -1.588 6.815 11.508) 13.469 2.881 ( -1.596 5.496 1.441) 5.902 3.169 ( 11.180 -4.262 -2.793) 12.287 3.601 ( 5.261 5.616 -5.142) 9.255 4.146 ( 6.642 2.214 -0.533) 7.022 4.563 ( -4.595 2.259 -7.769) 9.305 4.789 ( -11.827 0.294 11.192) 16.286 5.286 ( -3.296 2.076 -1.158) 4.064 5.733 ( 6.225 4.289 -13.202) 15.213 6.874 ( 3.338 -0.226 12.387) 12.831 7.266 ( -1.146 -4.252 -1.583) 4.680 7.938 ( -11.040 3.990 12.247) 16.964 9.070 ( 11.940 -2.434 -4.183) 12.884 11.201 ( -24.817 -9.579 5.264) 27.117 12.021 ( 8.374 2.402 -3.751) 9.485 13.262 ( -5.046 -3.383 9.566) 11.332 13.440 ( -16.898 -12.489 11.023) 23.728 16.087 ( -2.764 7.341 9.787) 12.542 16.773 ( -3.897 6.206 0.693) 7.361 17.479 ( 4.579 8.518 -2.532) 9.997 17.896 ( 6.479 9.764 -7.965) 14.169 ======================= Grid point 417 (207/366) ======================= q-point: ( 0.36 0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -9.866 0.000 5.641) 11.365 1.818 ( 1.216 -0.000 -15.066) 15.115 2.383 ( -7.605 0.000 9.569) 12.223 2.487 ( 1.364 -0.000 -0.721) 1.542 3.134 ( 5.146 -0.000 -2.913) 5.913 3.344 ( 5.475 -0.000 0.104) 5.476 3.567 ( -3.831 0.000 -5.242) 6.493 3.909 ( -10.638 0.000 1.363) 10.725 4.102 ( 1.688 -0.000 14.315) 14.414 4.581 ( 2.888 -0.000 3.392) 4.455 5.833 ( -3.843 0.000 9.488) 10.237 6.128 ( 5.830 -0.000 3.607) 6.856 6.983 ( 4.824 -0.000 -9.653) 10.791 7.202 ( -11.076 0.000 -0.852) 11.109 7.757 ( -1.705 0.000 9.171) 9.329 8.947 ( 4.874 -0.000 -13.333) 14.196 10.597 ( -14.835 0.000 26.676) 30.523 12.239 ( 4.292 -0.000 -6.713) 7.968 12.847 ( -5.689 0.000 -3.037) 6.449 13.183 ( -4.712 0.000 2.241) 5.218 16.056 ( -2.086 0.000 10.072) 10.285 17.195 ( 1.166 -0.000 5.058) 5.191 17.851 ( 7.222 -0.000 -4.316) 8.414 19.067 ( 6.057 -0.000 1.596) 6.263 ======================= Grid point 418 (208/366) ======================= q-point: (-0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -1.437 -0.292 10.261) 10.365 1.676 ( 0.972 1.057 -14.789) 14.859 2.364 ( -8.356 2.511 10.484) 13.639 2.477 ( -2.189 -0.295 -1.130) 2.481 3.105 ( 3.762 0.586 -12.500) 13.068 3.412 ( 5.315 0.205 -1.018) 5.415 3.540 ( 0.381 1.906 6.101) 6.403 3.820 ( -7.212 -0.183 3.837) 8.171 4.271 ( 3.193 0.281 14.516) 14.866 4.663 ( 0.707 -4.643 2.759) 5.447 5.830 ( -8.400 1.190 6.378) 10.614 6.198 ( 2.774 -0.542 -1.185) 3.065 6.950 ( 3.549 0.754 -7.690) 8.503 7.051 ( -8.860 -0.633 -4.175) 9.815 7.837 ( -3.409 0.139 13.720) 14.137 8.907 ( 9.067 2.306 -9.438) 13.289 10.708 ( -12.710 -4.537 24.420) 27.901 12.211 ( 5.114 1.358 -8.834) 10.298 12.754 ( -5.627 -0.167 -1.426) 5.808 13.158 ( -3.931 -0.363 3.062) 4.996 16.147 ( -0.952 1.321 13.783) 13.879 17.228 ( -0.178 2.502 3.980) 4.704 17.886 ( 5.665 0.459 -4.256) 7.100 19.085 ( -0.501 0.783 -3.881) 3.991 ======================= Grid point 419 (209/366) ======================= q-point: (-0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 3.564 2.008 4.887) 6.373 1.569 ( 2.348 -1.834 -7.194) 7.787 2.331 ( -8.986 3.061 12.324) 15.556 2.422 ( -5.984 -0.279 0.007) 5.990 3.011 ( 3.944 0.386 -14.002) 14.552 3.427 ( 1.946 5.227 1.466) 5.767 3.596 ( 4.541 2.171 2.446) 5.596 3.843 ( -0.211 -1.682 8.174) 8.348 4.450 ( 4.015 0.423 14.171) 14.735 4.755 ( -2.205 -7.703 1.912) 8.237 5.716 ( -12.687 2.120 0.941) 12.897 6.184 ( 1.323 -0.005 -7.366) 7.484 6.858 ( -2.445 2.724 -5.983) 7.014 6.988 ( -2.028 -3.191 -1.046) 3.922 7.928 ( -5.199 0.547 16.403) 17.216 8.923 ( 11.836 4.389 -5.671) 13.838 10.850 ( -12.615 -8.802 18.661) 24.184 12.166 ( 6.032 1.977 -10.291) 12.091 12.709 ( -4.292 -1.499 3.891) 5.984 13.152 ( -4.031 -0.552 4.237) 5.874 16.257 ( -0.543 3.397 16.125) 16.488 17.213 ( -1.249 3.892 2.924) 5.026 17.891 ( 4.064 2.198 -3.798) 5.981 18.958 ( -6.126 2.715 -9.569) 11.682 ======================= Grid point 420 (210/366) ======================= q-point: (-0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 0.282 2.227 -1.090) 2.495 1.667 ( 7.903 -3.494 -0.225) 8.644 2.313 ( -8.637 1.405 9.040) 12.582 2.360 ( -8.581 0.316 9.248) 12.620 2.937 ( 5.861 0.158 -12.257) 13.587 3.361 ( -0.653 9.652 2.969) 10.120 3.650 ( 6.991 0.976 -1.648) 7.249 3.974 ( 4.865 -0.639 7.878) 9.281 4.626 ( 3.580 0.793 13.557) 14.044 4.819 ( -5.843 -7.940 0.482) 9.870 5.503 ( -14.188 1.224 -4.869) 15.050 6.096 ( 1.316 1.380 -11.992) 12.142 6.770 ( -1.059 2.585 0.078) 2.795 7.017 ( -1.432 -4.642 0.814) 4.926 8.006 ( -7.104 1.348 17.247) 18.701 8.966 ( 11.870 5.397 -3.430) 13.483 10.955 ( -14.506 -11.211 11.177) 21.471 12.114 ( 6.884 2.324 -10.814) 13.028 12.780 ( -2.614 -5.097 11.173) 12.556 13.154 ( -4.412 -0.715 5.335) 6.960 16.349 ( -1.462 6.280 16.943) 18.129 17.160 ( -2.682 4.828 2.219) 5.952 17.857 ( 2.927 4.741 -3.222) 6.437 18.693 ( -9.560 5.611 -13.893) 17.773 ======================= Grid point 421 (211/366) ======================= q-point: (-0.27 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 0.974 -1.815 5.072) 5.474 1.769 ( 5.878 -2.526 -4.060) 7.577 2.231 ( -11.604 -0.028 3.860) 12.229 2.415 ( -5.863 1.583 18.953) 19.902 2.920 ( 8.138 -1.417 -10.431) 13.305 3.250 ( -0.912 11.050 3.338) 11.579 3.702 ( 8.044 1.310 -4.238) 9.186 4.105 ( 6.738 1.253 4.996) 8.481 4.750 ( 0.458 1.211 0.820) 1.532 4.792 ( -11.924 -3.297 7.890) 14.673 5.311 ( -8.622 -2.774 -4.510) 10.118 5.962 ( 2.502 2.782 -14.277) 14.759 6.777 ( 1.068 1.599 6.424) 6.706 7.076 ( -0.747 -5.697 0.624) 5.780 8.048 ( -8.974 2.529 16.370) 18.839 9.010 ( 10.330 4.551 -2.802) 11.631 10.984 ( -17.658 -11.547 6.948) 22.213 12.076 ( 7.947 2.174 -9.786) 12.793 12.961 ( -3.498 -8.775 14.148) 17.012 13.170 ( -4.511 -1.473 6.751) 8.252 16.382 ( -3.636 9.643 16.036) 19.062 17.069 ( -4.856 5.908 1.891) 7.878 17.787 ( 2.549 7.426 -2.494) 8.237 18.355 ( -8.007 7.339 -14.747) 18.315 ======================= Grid point 422 (212/366) ======================= q-point: (-0.18 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 1.137 -5.674 6.380) 8.613 1.812 ( 2.111 -3.493 -3.295) 5.246 2.129 ( -10.906 0.258 5.112) 12.048 2.488 ( -5.731 3.813 15.698) 17.142 2.950 ( 4.807 -1.394 -6.303) 8.049 3.172 ( 4.403 6.855 2.420) 8.499 3.716 ( 6.501 3.074 -6.605) 9.764 4.199 ( 7.768 2.657 0.515) 8.225 4.570 ( -12.730 -1.249 -8.819) 15.537 4.832 ( -7.289 1.917 13.378) 15.354 5.279 ( -1.278 -2.580 0.721) 2.968 5.829 ( 5.062 3.329 -14.269) 15.502 6.872 ( 2.032 0.117 10.617) 10.810 7.143 ( 0.539 -5.585 -1.150) 5.728 8.037 ( -10.495 3.885 13.944) 17.879 9.058 ( 9.099 1.753 -3.518) 9.911 10.950 ( -21.472 -10.270 8.164) 25.163 12.068 ( 8.365 1.264 -8.245) 11.813 13.136 ( -6.389 -8.045 11.265) 15.246 13.218 ( -5.460 -4.024 8.738) 11.061 16.333 ( -5.550 11.866 13.218) 18.610 16.935 ( -6.868 6.609 1.455) 9.641 17.696 ( 3.024 8.732 -2.188) 9.496 18.092 ( -0.021 6.267 -9.859) 11.683 ======================= Grid point 423 (213/366) ======================= q-point: (-0.09 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -2.012 -8.588 -1.864) 9.015 1.879 ( 0.539 -5.409 3.459) 6.443 2.076 ( -6.295 -0.341 5.392) 8.296 2.476 ( -7.520 5.199 10.904) 14.229 2.922 ( -0.630 2.877 -0.477) 2.984 3.255 ( 10.629 -1.077 -0.978) 10.728 3.655 ( 2.071 4.282 -6.452) 8.016 4.212 ( 4.689 0.486 -11.495) 12.424 4.404 ( -7.273 0.004 1.367) 7.400 4.810 ( -9.201 3.654 9.833) 13.953 5.318 ( 0.752 1.472 6.085) 6.306 5.741 ( 8.200 2.937 -12.420) 15.170 7.006 ( 0.586 -1.544 10.086) 10.220 7.205 ( 2.487 -3.799 -0.865) 4.622 7.967 ( -11.272 4.824 10.319) 16.025 9.122 ( 8.646 -1.713 -5.966) 10.643 10.877 ( -25.066 -7.382 13.311) 29.325 12.084 ( 7.531 -0.075 -7.061) 10.324 13.227 ( -7.887 -5.529 9.287) 13.380 13.268 ( -8.489 -4.304 7.061) 11.851 16.232 ( -5.652 10.021 8.862) 14.522 16.794 ( -5.335 5.017 1.472) 7.470 17.624 ( 5.219 7.169 -1.924) 9.073 18.024 ( 8.740 4.944 -1.748) 10.193 ======================= Grid point 429 (214/366) ======================= q-point: ( 0.45 0.45 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 5.541 -0.000 10.531) 11.900 1.547 ( 1.025 -0.000 -14.683) 14.719 2.368 ( -8.888 0.000 9.694) 13.151 2.415 ( -5.733 0.000 -1.272) 5.872 3.016 ( 3.603 -0.000 -13.782) 14.245 3.484 ( 6.483 -0.000 -0.509) 6.503 3.660 ( 1.811 -0.000 11.347) 11.491 3.799 ( -2.934 0.000 5.867) 6.560 4.455 ( 4.464 -0.000 13.020) 13.763 4.650 ( -2.569 0.000 2.913) 3.884 5.744 ( -13.488 0.000 1.312) 13.551 6.181 ( 1.584 -0.000 -6.861) 7.041 6.908 ( -6.474 0.000 -3.528) 7.373 6.936 ( 2.907 -0.000 -5.338) 6.079 7.935 ( -4.999 0.000 16.646) 17.380 8.983 ( 12.187 -0.000 -5.548) 13.390 10.739 ( -12.908 0.000 19.535) 23.414 12.191 ( 6.485 -0.000 -11.467) 13.173 12.691 ( -4.558 0.000 2.320) 5.114 13.144 ( -3.914 0.000 4.271) 5.794 16.300 ( 0.176 -0.000 16.524) 16.525 17.262 ( -2.297 0.000 3.239) 3.971 17.917 ( 5.515 -0.000 -4.185) 6.923 18.991 ( -5.865 0.000 -8.513) 10.338 ======================= Grid point 430 (215/366) ======================= q-point: (-0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 1.625 1.367 -9.929) 10.153 1.606 ( 8.760 -1.319 5.420) 10.386 2.316 ( -9.206 -0.387 -0.001) 9.214 2.360 ( -7.582 -0.159 10.088) 12.621 2.945 ( 4.408 0.247 -10.364) 11.265 3.541 ( 5.296 3.124 0.478) 6.168 3.724 ( 1.964 6.546 6.246) 9.258 3.913 ( 2.285 -4.978 10.328) 11.690 4.628 ( 4.836 -0.291 10.385) 11.460 4.657 ( -5.367 -3.955 3.445) 7.505 5.529 ( -17.204 0.642 -5.119) 17.961 6.111 ( 1.991 0.125 -11.655) 11.825 6.824 ( -3.132 1.526 0.972) 3.617 6.936 ( 1.288 -1.948 -2.705) 3.574 8.029 ( -6.862 0.500 18.022) 19.290 9.076 ( 12.385 2.759 -3.590) 13.187 10.761 ( -14.484 -4.215 13.783) 20.434 12.153 ( 7.665 0.793 -12.962) 15.080 12.702 ( -2.716 -1.491 7.755) 8.351 13.142 ( -4.346 -0.244 5.181) 6.766 16.458 ( 0.441 2.384 17.778) 17.943 17.241 ( -3.916 1.668 2.567) 4.970 17.936 ( 5.014 1.635 -3.346) 6.246 18.783 ( -9.658 1.779 -12.295) 15.736 ======================= Grid point 431 (216/366) ======================= q-point: (-0.36 -0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 2.340 -0.325 -4.036) 4.676 1.743 ( 7.621 0.213 -0.289) 7.629 2.208 ( -11.409 -1.477 1.869) 11.654 2.405 ( -4.555 -1.517 12.715) 13.591 2.915 ( 5.279 0.394 -7.402) 9.100 3.523 ( 0.934 9.731 3.764) 10.476 3.731 ( 5.339 2.791 -1.098) 6.124 4.108 ( 4.379 -2.589 10.321) 11.506 4.662 ( -6.948 -4.166 0.406) 8.112 4.771 ( 1.071 -1.116 8.483) 8.623 5.260 ( -14.928 -1.222 -5.910) 16.101 6.006 ( 3.023 0.918 -14.582) 14.920 6.816 ( -0.616 1.437 5.746) 5.955 6.963 ( 0.761 -3.331 -1.012) 3.563 8.097 ( -8.893 1.368 17.847) 19.987 9.135 ( 10.172 4.738 -3.426) 11.733 10.753 ( -16.552 -6.855 9.989) 20.512 12.112 ( 8.312 0.855 -13.255) 15.669 12.807 ( -1.835 -4.025 11.767) 12.571 13.145 ( -4.609 -0.601 5.756) 7.398 16.581 ( -0.557 6.054 17.547) 18.570 17.179 ( -5.502 2.944 2.360) 6.671 17.932 ( 4.441 4.210 -1.978) 6.431 18.489 ( -10.879 3.650 -14.201) 18.258 ======================= Grid point 432 (217/366) ======================= q-point: (-0.27 -0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 1.977 -3.203 0.155) 3.767 1.782 ( 3.394 0.905 -2.808) 4.497 2.117 ( -10.843 -1.427 3.961) 11.632 2.509 ( -4.326 -1.705 13.653) 14.423 2.919 ( 6.471 -0.299 -6.504) 9.179 3.419 ( -1.341 11.920 4.422) 12.784 3.752 ( 6.444 0.658 -6.188) 8.959 4.267 ( 5.693 1.287 7.496) 9.500 4.526 ( -14.043 -1.339 -9.001) 16.734 4.832 ( -6.093 -2.315 8.328) 10.575 5.187 ( -1.113 -4.002 3.675) 5.547 5.890 ( 4.651 1.653 -15.203) 15.984 6.880 ( 0.734 0.471 9.152) 9.194 7.013 ( 1.560 -4.506 -1.420) 4.976 8.118 ( -10.766 2.584 16.121) 19.557 9.145 ( 7.485 4.704 -4.191) 9.783 10.724 ( -18.778 -7.716 10.448) 22.832 12.082 ( 8.156 -0.020 -12.722) 15.112 12.958 ( -3.119 -5.727 12.018) 13.673 13.160 ( -4.455 -1.423 6.362) 7.897 16.620 ( -2.858 10.654 15.531) 19.050 17.078 ( -7.486 4.678 2.489) 9.172 17.891 ( 1.706 6.994 -1.566) 7.367 18.207 ( -5.040 3.082 -11.253) 12.709 ======================= Grid point 433 (218/366) ======================= q-point: (-0.18 -0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -3.595 -5.320 -2.409) 6.858 1.794 ( 1.841 -1.312 0.352) 2.288 2.064 ( -6.979 -0.940 4.934) 8.599 2.560 ( -9.052 1.047 11.493) 14.667 2.947 ( 5.067 -0.605 -4.808) 7.011 3.326 ( 2.123 7.570 2.697) 8.312 3.731 ( 3.310 1.733 -8.468) 9.255 4.220 ( -8.029 0.337 -14.466) 16.548 4.405 ( -1.299 -0.427 7.718) 7.838 4.864 ( -5.154 0.368 9.376) 10.705 5.304 ( 2.642 -2.316 7.332) 8.130 5.799 ( 7.067 1.752 -13.407) 15.256 6.975 ( -0.240 -0.943 7.226) 7.292 7.094 ( 4.031 -4.804 0.524) 6.293 8.078 ( -12.135 4.002 12.743) 18.046 9.132 ( 5.925 2.429 -5.917) 8.719 10.695 ( -20.957 -6.990 15.345) 26.898 12.065 ( 6.998 -1.477 -11.914) 13.896 13.083 ( -5.552 -5.532 9.756) 12.514 13.192 ( -4.577 -2.251 6.588) 8.332 16.545 ( -6.010 14.366 11.842) 19.563 16.932 ( -8.429 5.909 2.005) 10.488 17.775 ( -1.536 4.933 -3.951) 6.504 18.127 ( 6.716 3.340 -1.009) 7.568 ======================= Grid point 434 (219/366) ======================= q-point: (-0.09 -0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -7.231 -8.586 -4.365) 12.045 1.849 ( 0.463 -3.578 -1.772) 4.019 2.062 ( -4.148 -1.101 5.682) 7.120 2.503 ( -11.744 2.354 10.174) 15.715 2.938 ( 0.058 1.841 -1.270) 2.237 3.366 ( 8.941 0.161 -0.245) 8.946 3.624 ( -3.389 2.497 -6.586) 7.816 4.019 ( -4.988 -3.597 -13.676) 14.995 4.455 ( -0.527 1.632 4.605) 4.914 4.865 ( -2.566 5.488 7.718) 9.812 5.426 ( 1.641 0.038 9.416) 9.558 5.770 ( 9.706 1.610 -9.202) 13.471 7.018 ( -0.459 -2.258 -0.702) 2.408 7.242 ( 4.303 -3.636 7.491) 9.373 7.971 ( -12.789 4.937 7.933) 15.838 9.118 ( 5.275 -0.866 -9.493) 10.895 10.687 ( -22.048 -4.374 22.957) 32.129 12.058 ( 5.377 -3.027 -10.713) 12.363 13.137 ( -7.927 -3.850 6.006) 10.664 13.226 ( -4.886 -2.325 6.855) 8.733 16.364 ( -9.096 13.672 7.019) 17.859 16.807 ( -4.479 4.012 2.642) 6.568 17.702 ( 1.342 1.788 -2.411) 3.288 18.227 ( 12.569 3.995 5.581) 14.321 ======================= Grid point 441 (220/366) ======================= q-point: (-0.45 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 3.259 -0.000 -7.550) 8.223 1.753 ( 8.545 -0.000 2.276) 8.843 2.184 ( -11.479 0.000 0.551) 11.493 2.381 ( -3.886 0.000 9.706) 10.455 2.921 ( 4.059 -0.000 -5.998) 7.242 3.623 ( 6.112 -0.000 -1.792) 6.369 3.901 ( 0.050 -0.000 9.181) 9.182 3.961 ( 1.530 -0.000 8.675) 8.809 4.618 ( -4.271 0.000 6.316) 7.625 4.745 ( 2.027 -0.000 3.303) 3.875 5.246 ( -17.408 0.000 -6.576) 18.609 6.016 ( 3.161 -0.000 -14.409) 14.752 6.837 ( -2.259 0.000 6.408) 6.794 6.919 ( 2.376 -0.000 -2.753) 3.636 8.113 ( -8.996 0.000 18.446) 20.523 9.200 ( 10.418 -0.000 -3.971) 11.149 10.666 ( -16.231 0.000 11.216) 19.729 12.122 ( 8.356 -0.000 -14.635) 16.852 12.758 ( -1.560 0.000 10.850) 10.961 13.138 ( -4.599 0.000 5.524) 7.188 16.658 ( 0.874 -0.000 18.148) 18.169 17.214 ( -5.790 0.000 2.418) 6.275 17.985 ( 5.348 -0.000 -1.753) 5.628 18.534 ( -11.722 0.000 -14.036) 18.287 ======================= Grid point 442 (221/366) ======================= q-point: (-0.36 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 3.673 -0.541 -3.222) 4.916 1.830 ( 5.216 2.078 -1.691) 5.863 2.067 ( -11.393 -1.951 2.889) 11.914 2.456 ( -1.188 -1.619 9.416) 9.628 2.921 ( 3.415 0.099 -3.801) 5.111 3.652 ( 4.004 3.573 -1.449) 5.559 3.848 ( -0.488 10.232 3.141) 10.715 4.150 ( -2.073 -10.344 9.011) 13.875 4.581 ( -8.859 5.141 -7.090) 12.457 4.731 ( -4.204 -5.263 4.430) 8.062 5.115 ( -2.443 -1.582 5.111) 5.881 5.914 ( 4.329 0.411 -15.223) 15.832 6.890 ( -0.543 0.312 8.455) 8.478 6.937 ( 2.459 -1.602 -1.973) 3.536 8.161 ( -11.270 0.871 17.709) 21.009 9.245 ( 7.071 2.535 -5.561) 9.346 10.590 ( -17.407 -2.917 12.152) 21.428 12.076 ( 7.817 -0.262 -15.504) 17.365 12.863 ( -1.838 -2.002 11.707) 12.018 13.139 ( -4.300 -0.376 5.614) 7.082 16.814 ( 0.362 4.418 17.080) 17.646 17.152 ( -7.080 1.375 2.814) 7.742 18.025 ( 4.221 3.362 0.315) 5.406 18.245 ( -10.753 0.362 -13.705) 17.424 ======================= Grid point 443 (222/366) ======================= q-point: (-0.27 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -0.805 -0.853 -1.580) 1.968 1.813 ( 1.312 2.531 -1.626) 3.282 2.021 ( -6.939 -2.690 3.945) 8.423 2.539 ( -5.118 -1.869 8.825) 10.372 2.928 ( 4.182 -0.696 -4.753) 6.369 3.580 ( -2.081 10.913 3.330) 11.598 3.767 ( 3.231 2.981 -6.395) 7.760 4.215 ( -17.560 -1.946 -9.052) 19.852 4.340 ( -2.892 -4.973 3.290) 6.628 4.850 ( 3.022 -0.439 9.866) 10.328 5.230 ( 3.168 -3.156 7.983) 9.150 5.828 ( 5.948 0.664 -13.497) 14.765 6.956 ( -0.035 -0.673 2.817) 2.897 6.998 ( 3.644 -2.608 3.749) 5.842 8.155 ( -13.164 2.165 15.560) 20.496 9.212 ( 4.069 3.229 -7.335) 8.988 10.555 ( -18.109 -4.077 16.988) 25.162 12.022 ( 6.357 -1.643 -15.592) 16.918 12.972 ( -3.510 -3.287 10.189) 11.267 13.153 ( -3.649 -0.948 5.751) 6.877 16.867 ( -1.693 10.579 13.713) 17.402 17.060 ( -8.396 3.825 3.476) 9.859 17.883 ( -8.703 4.335 -8.302) 12.786 18.169 ( 5.881 -0.219 1.148) 5.996 ======================= Grid point 444 (223/366) ======================= q-point: (-0.18 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -8.895 -0.653 -1.540) 9.051 1.800 ( 1.187 -0.311 -2.832) 3.086 2.026 ( -3.960 -1.932 4.712) 6.451 2.522 ( -12.610 -0.667 8.006) 14.952 2.947 ( 3.694 -1.235 -4.824) 6.200 3.462 ( -0.208 8.269 2.780) 8.726 3.684 ( -1.816 2.411 -8.220) 8.757 3.942 ( -10.532 -2.624 -10.150) 14.861 4.425 ( -4.108 -5.010 4.820) 8.075 4.972 ( 5.732 3.472 7.032) 9.714 5.387 ( 2.586 -2.911 8.326) 9.191 5.797 ( 8.286 0.657 -8.387) 11.808 6.975 ( 0.734 -1.158 -1.717) 2.197 7.142 ( 4.138 -4.064 7.078) 9.151 8.082 ( -14.492 3.864 11.434) 18.859 9.135 ( 2.433 1.820 -9.798) 10.258 10.587 ( -17.662 -3.446 25.549) 31.250 11.974 ( 4.702 -3.522 -14.717) 15.847 13.044 ( -5.643 -3.440 7.283) 9.834 13.181 ( -3.380 -1.338 5.821) 6.863 16.761 ( -7.019 17.136 8.832) 20.516 16.923 ( -7.519 5.100 2.826) 9.515 17.707 ( -5.007 -0.853 -4.805) 6.992 18.305 ( 10.510 1.738 7.265) 12.895 ======================= Grid point 445 (224/366) ======================= q-point: (-0.09 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -9.849 -4.913 0.261) 11.009 1.743 ( -5.109 -1.693 -8.386) 9.964 2.045 ( -4.468 -1.405 4.903) 6.781 2.471 ( -10.195 -1.468 10.820) 14.938 2.933 ( -1.158 0.137 -1.876) 2.209 3.457 ( 6.201 0.063 -2.155) 6.565 3.517 ( -8.855 2.259 -3.843) 9.914 3.829 ( -1.321 -2.805 -7.925) 8.510 4.437 ( -6.036 -2.032 1.289) 6.498 5.028 ( 6.173 6.853 2.674) 9.603 5.513 ( 0.732 -2.039 7.521) 7.827 5.855 ( 9.993 1.148 -1.123) 10.121 6.973 ( 1.210 -1.192 -3.850) 4.208 7.324 ( 4.045 -4.736 8.435) 10.485 7.927 ( -15.404 5.143 6.079) 17.340 9.040 ( 1.655 -0.560 -13.403) 13.517 10.703 ( -15.162 -0.217 34.509) 37.693 11.945 ( 3.679 -5.291 -12.535) 14.095 13.055 ( -7.223 -2.468 3.706) 8.486 13.213 ( -3.770 -1.485 5.847) 7.114 16.480 ( -11.807 17.052 4.289) 21.180 16.840 ( -3.021 3.692 3.807) 6.103 17.670 ( -1.219 -3.044 -1.570) 3.635 18.510 ( 13.485 2.841 9.815) 16.919 ======================= Grid point 453 (225/366) ======================= q-point: (-0.36 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 1.235 -0.000 -1.449) 1.904 1.873 ( 3.215 -0.000 -4.092) 5.204 1.961 ( -9.124 0.000 5.545) 10.676 2.510 ( -2.702 0.000 7.258) 7.744 2.918 ( 2.287 -0.000 -4.051) 4.652 3.691 ( 5.122 -0.000 -5.730) 7.685 3.999 ( -3.481 0.000 4.362) 5.580 4.015 ( -9.164 0.000 6.422) 11.191 4.282 ( -18.438 0.000 -13.367) 22.774 4.853 ( 7.752 -0.000 11.899) 14.202 5.183 ( 3.050 -0.000 7.099) 7.726 5.835 ( 5.377 -0.000 -13.198) 14.252 6.944 ( 3.159 -0.000 -1.980) 3.728 6.970 ( 0.226 -0.000 8.103) 8.106 8.182 ( -13.634 0.000 16.839) 21.666 9.256 ( 3.445 -0.000 -8.314) 9.000 10.504 ( -17.059 0.000 17.779) 24.640 12.000 ( 6.038 -0.000 -16.956) 17.999 12.930 ( -2.931 0.000 10.310) 10.719 13.142 ( -3.388 0.000 5.389) 6.366 17.012 ( 0.955 -0.000 15.350) 15.380 17.099 ( -7.769 0.000 3.421) 8.489 17.960 ( -12.005 0.000 -13.818) 18.304 18.144 ( 5.731 -0.000 5.393) 7.870 ======================= Grid point 454 (226/366) ======================= q-point: (-0.27 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -6.352 1.362 0.094) 6.497 1.827 ( 0.080 1.872 -5.241) 5.565 1.969 ( -2.885 -2.313 6.098) 7.131 2.496 ( -11.867 -0.836 6.237) 13.433 2.909 ( 4.584 -1.162 -7.377) 8.762 3.665 ( 1.820 3.613 -4.833) 6.303 3.805 ( -7.799 9.346 -0.449) 12.182 3.901 ( -15.273 0.491 -5.440) 16.221 4.199 ( -5.511 -12.214 4.115) 14.017 5.048 ( 9.910 2.368 6.925) 12.320 5.309 ( 3.695 -2.563 6.759) 8.118 5.806 ( 6.731 0.164 -6.815) 9.580 6.964 ( 2.888 0.104 -1.906) 3.462 7.063 ( 1.908 -2.010 6.464) 7.034 8.149 ( -15.427 1.464 14.423) 21.169 9.178 ( 0.532 1.165 -10.629) 10.706 10.529 ( -14.958 -1.191 26.857) 30.764 11.905 ( 4.214 -1.646 -16.976) 17.568 12.982 ( -4.619 -1.392 7.784) 9.157 13.160 ( -2.629 -0.426 5.182) 5.826 17.021 ( -7.406 2.763 4.057) 8.885 17.106 ( -1.074 8.105 10.779) 13.528 17.692 ( -10.042 0.012 -10.517) 14.541 18.304 ( 7.055 -1.073 10.347) 12.569 ======================= Grid point 455 (227/366) ======================= q-point: (-0.18 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -12.286 2.720 2.636) 12.857 1.722 ( -5.433 -0.068 -8.613) 10.183 2.028 ( -1.416 -0.111 5.602) 5.779 2.403 ( -14.700 -3.417 7.821) 16.998 2.903 ( 2.769 -2.042 -8.579) 9.243 3.562 ( -2.222 6.296 0.191) 6.679 3.580 ( -11.650 3.853 -2.337) 12.491 3.773 ( -1.305 -0.911 -4.249) 4.537 4.299 ( -5.854 -9.211 2.074) 11.109 5.157 ( 10.045 3.897 -1.077) 10.828 5.444 ( 2.387 -3.148 5.246) 6.567 5.874 ( 7.813 0.479 2.682) 8.275 6.969 ( 2.649 0.896 -2.643) 3.847 7.198 ( 3.645 -4.968 5.612) 8.334 8.041 ( -16.857 3.650 10.126) 20.000 9.048 ( -0.938 0.743 -12.934) 12.990 10.699 ( -9.702 -0.056 37.893) 39.115 11.826 ( 3.257 -3.928 -15.287) 16.116 12.998 ( -6.148 -1.868 4.830) 8.039 13.185 ( -2.688 -0.781 4.943) 5.681 16.901 ( -9.302 9.553 1.703) 13.442 16.983 ( -4.390 13.174 5.820) 15.057 17.569 ( -4.594 -4.941 -3.305) 7.512 18.538 ( 10.044 -0.729 13.052) 16.486 ======================= Grid point 456 (228/366) ======================= q-point: (-0.09 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -11.371 -1.109 6.003) 12.906 1.527 ( -13.566 -1.089 -7.535) 15.556 2.021 ( -5.689 0.212 4.445) 7.223 2.435 ( -5.291 -5.466 9.889) 12.476 2.864 ( -2.550 -3.052 -3.871) 5.550 3.392 ( -8.816 3.238 -1.361) 9.490 3.502 ( 1.897 1.143 -4.545) 5.056 3.760 ( 0.154 -1.661 -0.583) 1.767 4.312 ( -6.947 -4.672 -0.502) 8.387 5.187 ( 9.152 4.995 -5.047) 11.583 5.544 ( 0.670 -2.927 4.123) 5.101 6.008 ( 6.750 1.090 7.006) 9.790 6.960 ( 2.699 1.145 -3.266) 4.389 7.372 ( 4.469 -6.728 4.155) 9.083 7.850 ( -17.950 5.772 7.434) 20.268 8.896 ( -0.975 -0.455 -15.109) 15.147 11.001 ( -2.692 5.279 43.797) 44.196 11.798 ( 3.675 -6.183 -11.267) 13.367 12.971 ( -6.986 -1.395 2.248) 7.470 13.206 ( -3.414 -1.000 4.616) 5.827 16.580 ( -12.031 18.730 1.476) 22.310 16.890 ( -3.626 4.344 4.315) 7.116 17.585 ( -1.748 -5.618 -0.550) 5.909 18.788 ( 11.404 1.014 10.126) 15.284 ======================= Grid point 465 (229/366) ======================= q-point: (-0.27 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -11.715 0.000 2.759) 12.036 1.726 ( -6.490 0.000 -9.178) 11.241 2.030 ( 2.614 -0.000 7.701) 8.133 2.350 ( -19.118 0.000 5.728) 19.957 2.872 ( 5.290 -0.000 -11.785) 12.918 3.622 ( -15.518 0.000 0.470) 15.525 3.649 ( 1.936 -0.000 -7.721) 7.960 3.858 ( -11.621 0.000 5.056) 12.673 4.088 ( -0.421 0.000 1.510) 1.567 5.213 ( 10.861 -0.000 -3.395) 11.379 5.394 ( 3.475 -0.000 5.258) 6.303 5.880 ( 6.700 -0.000 4.531) 8.088 6.995 ( 4.489 -0.000 -1.780) 4.829 7.121 ( 1.810 -0.000 4.247) 4.617 8.088 ( -17.197 0.000 11.902) 20.914 9.059 ( -2.039 0.000 -12.810) 12.971 10.699 ( -7.474 0.000 38.964) 39.674 11.775 ( 3.090 -0.000 -16.285) 16.575 12.974 ( -5.670 0.000 5.233) 7.716 13.175 ( -2.345 0.000 4.553) 5.121 16.980 ( -7.638 0.000 3.534) 8.415 17.264 ( 1.083 -0.000 7.581) 7.658 17.462 ( -9.339 0.000 -9.768) 13.514 18.513 ( 7.154 -0.000 16.383) 17.876 ======================= Grid point 466 (230/366) ======================= q-point: (-0.18 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -14.521 2.088 5.898) 15.812 1.510 ( -15.079 -0.293 -6.793) 16.541 2.086 ( -4.917 5.180 5.692) 9.132 2.261 ( -7.289 -7.913 8.000) 13.407 2.802 ( 0.913 -1.482 -11.796) 11.924 3.481 ( -11.307 2.180 4.795) 12.474 3.558 ( -3.873 2.488 -5.016) 6.808 3.754 ( -3.680 1.800 0.967) 4.209 4.146 ( -2.624 -6.982 0.758) 7.498 5.266 ( 11.155 1.564 -9.644) 14.829 5.485 ( 2.195 -1.492 3.759) 4.602 6.025 ( 4.319 0.329 9.753) 10.671 7.022 ( 4.983 3.381 -1.120) 6.125 7.209 ( 2.945 -5.651 1.129) 6.472 7.959 ( -18.360 2.523 9.994) 21.056 8.896 ( -2.727 0.128 -14.155) 14.416 11.100 ( 5.300 2.305 47.644) 47.994 11.681 ( 3.309 -2.751 -13.608) 14.272 12.947 ( -6.042 -0.518 3.558) 7.031 13.188 ( -2.924 -0.405 4.034) 4.999 16.896 ( -6.828 4.051 1.141) 8.021 17.135 ( -5.885 15.134 0.114) 16.238 17.425 ( -1.964 -7.846 -0.772) 8.125 18.778 ( 8.536 -1.137 14.959) 17.260 ======================= Grid point 467 (231/366) ======================= q-point: (-0.09 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -12.171 -0.440 9.628) 15.525 1.292 ( -17.713 -1.362 4.504) 18.327 1.993 ( -7.889 1.822 4.171) 9.108 2.401 ( -0.227 -5.808 5.061) 7.707 2.746 ( -2.470 -5.253 -1.945) 6.122 3.340 ( -7.946 4.644 0.082) 9.204 3.455 ( -3.009 0.026 -4.713) 5.592 3.743 ( -1.731 -1.905 1.832) 3.159 4.185 ( -3.567 -4.322 1.210) 5.733 5.279 ( 10.590 2.489 -9.767) 14.619 5.551 ( 0.343 -1.866 2.392) 3.054 6.135 ( 0.322 -0.066 6.980) 6.987 7.003 ( 2.404 4.251 -2.913) 5.686 7.335 ( 3.489 -7.665 -2.241) 8.715 7.804 ( -16.506 4.768 13.875) 22.084 8.731 ( -0.985 -0.359 -14.519) 14.556 11.533 ( 8.109 6.620 15.677) 18.851 11.758 ( 13.143 -1.923 17.993) 22.365 12.916 ( -5.172 0.753 5.097) 7.300 13.192 ( -3.734 -0.794 3.837) 5.413 16.676 ( -8.783 17.236 -1.044) 19.373 16.934 ( -6.664 6.374 4.083) 10.085 17.488 ( -1.155 -6.284 -0.493) 6.409 18.973 ( 5.343 -0.224 2.975) 6.119 ======================= Grid point 477 (232/366) ======================= q-point: (-0.18 -0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -15.251 0.000 8.685) 17.551 1.273 ( -19.847 0.000 5.482) 20.591 2.054 ( -11.303 0.000 4.039) 12.003 2.285 ( 4.945 -0.000 7.444) 8.937 2.682 ( -1.834 0.000 -8.367) 8.566 3.432 ( -9.944 0.000 7.057) 12.194 3.440 ( -8.996 0.000 -5.120) 10.351 3.718 ( -2.068 0.000 -1.074) 2.330 4.111 ( -0.144 0.000 2.801) 2.805 5.306 ( 11.947 -0.000 -12.130) 17.026 5.529 ( 0.990 -0.000 2.644) 2.823 6.133 ( -1.505 0.000 7.346) 7.499 7.136 ( -1.867 0.000 -7.274) 7.509 7.158 ( 8.888 -0.000 3.202) 9.447 7.867 ( -17.022 0.000 13.631) 21.807 8.728 ( -1.767 0.000 -13.968) 14.080 11.586 ( 4.164 -0.000 -11.200) 11.949 11.763 ( 24.145 -0.000 42.887) 49.217 12.930 ( -3.093 0.000 7.696) 8.294 13.181 ( -3.685 0.000 3.592) 5.146 16.854 ( -5.098 0.000 -0.118) 5.100 17.154 ( -6.049 0.000 -2.868) 6.695 17.360 ( 0.660 -0.000 0.489) 0.821 18.962 ( 3.492 -0.000 4.816) 5.949 ======================= Grid point 478 (233/366) ======================= q-point: (-0.09 -0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -12.077 -1.560 12.435) 17.405 1.190 ( -15.050 -2.082 20.652) 25.638 1.968 ( -3.815 2.505 1.602) 4.837 2.408 ( 0.628 -0.443 4.623) 4.686 2.651 ( -2.215 -6.454 2.881) 7.407 3.262 ( -7.107 1.410 -6.465) 9.710 3.376 ( -9.241 0.389 5.476) 10.749 3.708 ( -0.194 -1.776 -0.483) 1.851 4.160 ( -0.283 -1.554 4.887) 5.136 5.330 ( 11.252 0.946 -11.096) 15.831 5.551 ( -0.951 -0.481 1.015) 1.472 6.132 ( -5.899 -1.165 1.508) 6.199 6.967 ( -5.622 2.020 -11.361) 12.836 7.329 ( 6.572 -2.438 4.535) 8.349 7.823 ( -13.077 1.858 17.755) 22.129 8.603 ( 2.728 -0.230 -12.268) 12.569 11.559 ( 5.468 -1.155 -8.071) 9.817 12.310 ( 19.199 3.174 8.280) 21.148 13.122 ( 14.325 6.464 26.002) 30.382 13.176 ( -1.689 -0.525 6.145) 6.395 16.754 ( -3.335 8.677 -2.014) 9.511 16.975 ( -8.425 11.464 2.088) 14.380 17.397 ( -0.316 -5.139 -1.820) 5.461 18.868 ( -14.215 -3.384 -15.979) 21.653 ======================= Grid point 489 (234/366) ======================= q-point: (-0.09 -0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -8.251 0.000 16.720) 18.645 1.261 ( -8.667 0.000 25.988) 27.395 2.014 ( 5.679 -0.000 1.846) 5.971 2.462 ( -5.476 0.000 7.237) 9.075 2.614 ( -1.126 0.000 6.111) 6.214 3.124 ( -3.212 0.000 -7.388) 8.056 3.333 ( -10.565 0.000 9.596) 14.273 3.702 ( 2.486 -0.000 -1.072) 2.707 4.210 ( 0.314 -0.000 6.583) 6.591 5.361 ( 10.076 -0.000 -10.932) 14.867 5.525 ( -3.300 0.000 -0.814) 3.399 6.016 ( -8.951 0.000 -3.719) 9.693 6.774 ( -6.882 0.000 -11.237) 13.177 7.444 ( 3.071 -0.000 5.860) 6.616 7.857 ( -12.044 0.000 18.144) 21.778 8.575 ( 9.837 -0.000 -8.522) 13.016 11.561 ( 7.042 -0.000 -5.673) 9.043 12.397 ( 2.837 -0.000 -10.269) 10.653 13.159 ( -4.128 0.000 5.071) 6.538 13.880 ( 43.542 -0.000 24.504) 49.963 16.752 ( -2.952 0.000 -0.669) 3.027 17.032 ( -0.584 0.000 -0.934) 1.101 17.319 ( -1.637 0.000 -4.888) 5.155 18.169 ( -55.216 0.000 -28.481) 62.129 ======================= Grid point 490 (235/366) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 4.007 -0.000 15.715) 16.218 1.939 ( 8.521 -0.000 7.722) 11.500 2.313 ( -11.858 0.000 1.829) 11.999 2.368 ( 2.999 -0.000 1.915) 3.558 2.721 ( 2.233 -0.000 0.061) 2.234 2.962 ( 3.964 -0.000 -3.993) 5.626 3.719 ( -8.822 0.000 15.200) 17.575 3.843 ( 5.494 -0.000 2.910) 6.217 4.447 ( -1.860 0.000 2.347) 2.995 5.041 ( 6.048 -0.000 -14.659) 15.858 5.248 ( -5.628 0.000 -1.995) 5.971 5.501 ( -6.961 0.000 -7.879) 10.513 6.771 ( 4.866 -0.000 12.223) 13.156 7.471 ( -4.488 0.000 -3.563) 5.730 8.181 ( -14.485 0.000 13.301) 19.666 8.752 ( 18.613 -0.000 -5.337) 19.363 11.724 ( 7.663 -0.000 3.436) 8.398 11.919 ( -10.454 0.000 -4.789) 11.499 13.445 ( 0.277 -0.000 12.812) 12.815 14.645 ( -1.780 0.000 -19.088) 19.170 16.107 ( -31.085 0.000 9.482) 32.499 16.609 ( -0.716 0.000 -3.451) 3.525 17.107 ( 10.574 -0.000 -1.190) 10.641 17.197 ( -3.073 0.000 -3.442) 4.614 ======================= Grid point 491 (236/366) ======================= q-point: ( 0.09 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 4.360 0.777 9.046) 10.072 2.126 ( 8.903 -1.361 3.275) 9.584 2.230 ( -6.968 -1.058 6.285) 9.443 2.337 ( -2.819 3.698 -1.919) 5.030 2.765 ( 2.142 -1.217 2.581) 3.568 2.998 ( 4.113 -4.515 -5.052) 7.926 3.699 ( -3.174 8.690 10.990) 14.366 3.980 ( 3.937 -4.136 2.504) 6.235 4.430 ( -3.306 -2.333 -2.128) 4.572 4.950 ( -3.061 -1.654 -8.798) 9.461 5.200 ( -1.862 0.222 2.999) 3.537 5.409 ( 0.744 -3.184 -7.959) 8.604 6.972 ( 6.167 0.147 14.588) 15.838 7.359 ( -3.972 1.231 -6.778) 7.952 8.126 ( -14.754 -0.960 11.289) 18.602 8.905 ( 16.759 0.962 -7.017) 18.194 11.709 ( -14.795 3.115 -0.430) 15.126 11.860 ( 6.924 -0.988 2.532) 7.439 13.559 ( -3.008 1.880 15.134) 15.544 14.206 ( -25.003 8.037 -14.010) 29.766 16.048 ( -5.260 -2.727 11.116) 12.596 16.602 ( 0.956 -2.642 -0.971) 2.972 17.173 ( 2.183 -2.753 -3.128) 4.704 17.305 ( 15.344 -6.858 -2.377) 16.974 ======================= Grid point 492 (237/366) ======================= q-point: ( 0.18 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 2.195 5.406 -1.509) 6.027 2.158 ( 1.441 5.356 -0.789) 5.602 2.218 ( -6.236 1.087 1.804) 6.582 2.364 ( 2.501 -6.342 7.250) 9.952 2.848 ( 1.006 -2.678 4.497) 5.330 3.060 ( 4.309 -5.349 -5.328) 8.692 3.668 ( 0.143 7.974 8.012) 11.304 4.039 ( 5.132 1.367 -6.305) 8.244 4.397 ( -6.273 -4.800 -0.226) 7.902 4.863 ( -8.242 -4.391 -2.204) 9.595 5.264 ( 3.221 -1.113 6.890) 7.686 5.426 ( 4.904 -3.865 -5.170) 8.107 7.164 ( 2.709 2.072 8.353) 9.023 7.238 ( 0.593 0.563 -3.727) 3.816 8.068 ( -14.090 -2.580 8.744) 16.782 8.993 ( 13.456 2.169 -9.065) 16.368 11.476 ( -19.239 3.507 4.916) 20.165 11.969 ( 7.096 0.518 0.634) 7.143 13.597 ( -7.541 4.314 13.432) 15.997 13.727 ( -21.435 5.882 -6.182) 23.071 16.138 ( -3.660 -3.860 8.300) 9.858 16.670 ( 2.403 -3.231 1.811) 4.415 17.257 ( 7.208 -5.516 -1.764) 9.246 17.584 ( 18.574 -7.295 -1.158) 19.989 ======================= Grid point 493 (238/366) ======================= q-point: ( 0.27 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 0.152 9.180 -7.453) 11.825 2.033 ( -4.097 4.933 -4.541) 7.857 2.215 ( -1.498 1.126 5.531) 5.840 2.524 ( -0.876 -6.214 6.609) 9.114 2.911 ( -1.811 -1.188 3.572) 4.177 3.141 ( 6.204 -5.497 -4.158) 9.273 3.659 ( 1.922 6.044 4.599) 7.834 3.959 ( 3.771 3.923 -13.261) 14.334 4.410 ( -5.344 -5.452 4.549) 8.887 4.813 ( -9.478 -5.862 0.993) 11.189 5.418 ( 7.568 -2.202 6.266) 10.069 5.520 ( 5.119 -3.318 2.428) 6.566 7.068 ( -0.894 2.245 -9.446) 9.750 7.370 ( 5.328 1.310 10.653) 11.983 8.011 ( -13.586 -4.054 5.518) 15.214 9.001 ( 9.253 3.097 -11.449) 15.043 11.276 ( -19.388 2.330 11.257) 22.539 12.022 ( 5.839 2.624 -2.122) 6.744 13.416 ( -14.105 2.674 -2.555) 14.582 13.543 ( -9.666 5.217 9.288) 14.384 16.202 ( -6.952 -5.396 6.551) 10.971 16.751 ( 1.859 -1.359 3.381) 4.091 17.432 ( 9.310 -6.589 -0.228) 11.408 17.909 ( 19.716 -5.837 3.406) 20.842 ======================= Grid point 494 (239/366) ======================= q-point: (-0.64 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -0.952 9.962 -8.088) 12.867 1.866 ( -6.820 4.422 -3.983) 9.051 2.237 ( -0.888 1.762 5.098) 5.467 2.607 ( -4.544 -3.509 4.879) 7.534 2.918 ( -1.903 -0.608 2.193) 2.966 3.257 ( 6.711 -5.001 -3.221) 8.968 3.648 ( 2.130 5.949 3.025) 7.006 3.805 ( -0.218 3.078 -12.563) 12.937 4.466 ( -3.837 -4.578 3.652) 7.001 4.798 ( -6.271 -6.398 1.128) 9.029 5.620 ( 9.614 -3.309 6.946) 12.314 5.655 ( 3.450 -0.922 7.670) 8.460 6.952 ( 1.146 1.596 -9.395) 9.598 7.502 ( 4.972 2.630 8.369) 10.084 7.937 ( -14.181 -5.179 2.607) 15.320 8.923 ( 4.826 3.454 -13.887) 15.102 11.184 ( -15.577 -0.473 16.932) 23.012 12.006 ( 4.064 5.077 -3.644) 7.455 13.240 ( -9.746 0.761 -0.743) 9.804 13.439 ( -8.194 4.296 4.665) 10.361 16.233 ( -9.262 -6.798 5.175) 12.601 16.812 ( 1.353 -0.008 3.615) 3.860 17.602 ( 6.859 -4.273 -0.142) 8.083 18.269 ( 18.669 -4.636 8.580) 21.062 ======================= Grid point 495 (240/366) ======================= q-point: (-0.55 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -1.068 8.350 -5.390) 9.996 1.692 ( -8.993 3.363 -1.368) 9.699 2.239 ( -3.567 3.235 6.972) 8.474 2.611 ( -2.136 -0.140 0.849) 2.303 2.936 ( -1.167 -1.386 2.299) 2.927 3.328 ( 4.246 -1.663 -5.570) 7.198 3.568 ( -8.111 5.727 1.702) 10.074 3.728 ( 6.939 -0.350 -5.434) 8.821 4.466 ( -8.313 -2.306 2.817) 9.075 4.847 ( 2.237 -5.992 -2.408) 6.834 5.744 ( -0.860 2.532 9.341) 9.717 5.868 ( 10.706 -4.304 7.804) 13.930 6.881 ( 2.639 0.604 -7.132) 7.629 7.572 ( 4.137 4.655 1.760) 6.471 7.862 ( -14.374 -6.744 5.394) 16.769 8.775 ( 1.368 3.105 -15.374) 15.744 11.241 ( -8.753 -4.250 19.187) 21.513 11.941 ( 2.759 6.802 -2.099) 7.635 13.124 ( -8.580 0.234 0.418) 8.593 13.343 ( -4.851 2.579 1.204) 5.624 16.251 ( -9.691 -7.933 4.306) 13.243 16.858 ( 0.874 0.020 3.109) 3.229 17.690 ( 3.286 -0.388 -0.178) 3.313 18.618 ( 14.926 -3.644 9.212) 17.914 ======================= Grid point 496 (241/366) ======================= q-point: (-0.45 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -1.058 4.764 -0.421) 4.898 1.561 ( -8.334 2.125 4.353) 9.640 2.203 ( -6.345 5.144 8.495) 11.785 2.579 ( 0.399 2.334 -2.756) 3.633 2.954 ( -0.353 0.858 2.329) 2.507 3.284 ( 0.523 1.569 -9.355) 9.500 3.444 ( -9.626 -0.039 5.015) 10.854 3.803 ( 6.640 -1.113 -0.611) 6.760 4.396 ( -10.211 -0.120 4.521) 11.168 4.932 ( 8.408 -3.816 -6.676) 11.394 5.752 ( -3.027 4.833 6.935) 8.979 6.104 ( 6.424 -3.817 6.816) 10.114 6.862 ( 2.870 -0.517 -4.162) 5.082 7.500 ( -1.496 3.935 -6.329) 7.601 7.895 ( -8.755 -5.661 13.452) 17.020 8.599 ( 0.225 2.288 -15.310) 15.481 11.412 ( -1.018 -5.987 11.425) 12.939 11.909 ( 3.709 4.734 5.638) 8.244 13.032 ( -8.428 -0.285 2.882) 8.912 13.283 ( -1.975 1.268 -0.246) 2.360 16.279 ( -8.951 -8.848 3.782) 13.142 16.893 ( -0.021 -0.619 2.262) 2.346 17.695 ( 0.458 3.038 0.060) 3.073 18.868 ( 8.562 -2.083 3.910) 9.640 ======================= Grid point 497 (242/366) ======================= q-point: (-0.36 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -1.286 1.548 6.266) 6.581 1.540 ( -3.659 0.272 10.004) 10.655 2.114 ( -7.309 8.047 6.242) 12.535 2.518 ( -1.411 2.842 -0.116) 3.175 2.954 ( 2.787 4.630 1.570) 5.627 3.159 ( -5.229 -0.925 -8.434) 9.967 3.418 ( -5.697 -2.448 4.404) 7.605 3.873 ( 0.728 -0.733 2.517) 2.721 4.336 ( -6.391 1.751 7.416) 9.945 5.008 ( 11.723 -1.401 -9.578) 15.203 5.698 ( -4.590 4.873 4.370) 7.995 6.213 ( -0.397 -1.191 1.022) 1.619 6.848 ( -0.871 -0.659 -5.880) 5.981 7.402 ( -0.264 1.216 -1.057) 1.633 8.008 ( -6.706 -3.949 15.957) 17.754 8.446 ( 2.281 1.536 -13.748) 14.021 11.504 ( 2.348 -0.195 -1.568) 2.830 12.065 ( 7.812 -3.830 8.173) 11.938 13.036 ( -3.461 -4.405 11.895) 13.148 13.254 ( -0.732 0.784 0.024) 1.073 16.325 ( -7.827 -9.676 3.370) 12.894 16.913 ( -1.757 -1.232 1.384) 2.553 17.634 ( -1.464 5.580 -0.201) 5.772 18.917 ( -1.331 1.117 -6.078) 6.322 ======================= Grid point 498 (243/366) ======================= q-point: (-0.27 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -1.726 1.580 12.073) 12.298 1.666 ( 3.006 -3.490 12.942) 13.737 1.954 ( -6.214 10.547 3.370) 12.697 2.505 ( -2.802 0.260 6.485) 7.069 2.922 ( 1.315 8.141 0.355) 8.254 3.031 ( -4.650 -3.032 -8.319) 10.001 3.439 ( -4.402 -4.214 4.125) 7.359 3.886 ( -4.528 1.044 6.010) 7.596 4.345 ( -1.253 2.781 8.980) 9.484 5.064 ( 13.117 0.356 -11.715) 17.591 5.609 ( -6.130 3.180 0.837) 6.956 6.151 ( -5.993 1.853 -4.077) 7.482 6.734 ( -4.463 0.585 -8.130) 9.293 7.450 ( 1.111 -1.948 5.630) 6.060 8.121 ( -7.576 -2.577 16.452) 18.295 8.370 ( 7.795 1.041 -10.511) 13.127 11.503 ( 3.938 1.875 -2.261) 4.913 12.202 ( 3.078 -3.653 -5.447) 7.245 13.240 ( -0.546 0.374 2.295) 2.389 13.372 ( 13.396 -13.510 19.131) 26.981 16.390 ( -6.863 -10.842 2.673) 13.107 16.903 ( -4.593 -1.631 0.751) 4.931 17.521 ( -2.601 7.262 -1.499) 7.858 18.654 ( -15.694 7.796 -16.961) 24.388 ======================= Grid point 499 (244/366) ======================= q-point: (-0.18 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -1.491 3.057 15.755) 16.118 1.816 ( -2.478 9.557 6.708) 11.936 1.929 ( 8.682 -7.342 10.592) 15.539 2.536 ( -6.079 -1.385 6.615) 9.090 2.789 ( -5.454 5.314 -1.135) 7.699 2.981 ( 3.977 1.301 -5.430) 6.855 3.495 ( -4.903 -6.652 5.635) 10.002 3.867 ( -4.448 4.010 8.102) 10.075 4.392 ( -0.020 2.793 8.516) 8.962 5.091 ( 12.908 1.179 -13.688) 18.852 5.488 ( -7.381 0.825 -3.339) 8.143 5.963 ( -9.619 3.728 -6.931) 12.428 6.626 ( -2.179 0.753 -2.043) 3.080 7.526 ( -2.170 -2.661 3.922) 5.213 8.195 ( -10.110 -1.223 16.045) 19.004 8.417 ( 14.687 0.429 -6.574) 16.097 11.529 ( 5.604 1.216 -0.038) 5.735 12.166 ( -2.107 -2.424 -8.458) 9.047 13.261 ( 0.006 0.222 4.483) 4.489 13.973 ( 25.555 -17.072 10.397) 32.444 16.469 ( -7.675 -12.930 1.078) 15.075 16.850 ( -8.903 -2.106 0.165) 9.150 17.368 ( -2.529 8.162 -4.040) 9.452 18.028 ( -29.321 17.534 -19.687) 39.431 ======================= Grid point 500 (245/366) ======================= q-point: (-0.09 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 1.132 1.906 17.570) 17.710 1.809 ( 3.985 4.904 8.272) 10.410 2.212 ( 8.190 -5.868 7.177) 12.370 2.461 ( -12.678 0.008 1.085) 12.725 2.711 ( -0.416 1.736 1.070) 2.081 2.968 ( 5.231 3.020 -4.003) 7.246 3.600 ( -6.076 -9.230 9.997) 14.902 3.837 ( -1.169 7.165 7.256) 10.264 4.431 ( -0.833 1.751 6.311) 6.602 5.085 ( 11.111 0.952 -15.182) 18.838 5.356 ( -6.984 -0.711 -4.964) 8.598 5.716 ( -10.850 3.367 -7.850) 13.809 6.638 ( 1.796 0.358 6.262) 6.524 7.532 ( -4.117 -1.594 0.024) 4.415 8.213 ( -12.825 -0.148 14.917) 19.672 8.569 ( 18.348 -0.182 -4.713) 18.944 11.608 ( 6.875 0.276 2.158) 7.211 12.066 ( -5.815 -1.512 -7.166) 9.352 13.329 ( 0.814 -0.313 8.502) 8.547 14.512 ( 24.559 -12.566 -4.848) 28.009 16.478 ( -27.756 -14.699 -0.656) 31.414 16.710 ( -10.680 2.696 -3.734) 11.631 17.158 ( -0.587 14.334 -6.578) 15.782 17.365 ( -15.510 10.542 -4.809) 19.361 ======================= Grid point 502 (246/366) ======================= q-point: ( 0.09 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 5.333 -0.000 0.956) 5.418 2.221 ( -4.819 0.000 8.977) 10.189 2.247 ( 6.822 -0.000 -9.533) 11.722 2.273 ( -4.053 0.000 4.501) 6.057 2.820 ( 2.456 -0.000 4.041) 4.729 2.975 ( 4.724 -0.000 -4.144) 6.284 3.809 ( -4.510 0.000 9.282) 10.319 4.036 ( 5.336 -0.000 2.403) 5.852 4.328 ( -4.497 0.000 -5.736) 7.288 4.799 ( -6.880 0.000 -5.951) 9.097 5.254 ( -0.247 0.000 10.472) 10.475 5.370 ( 7.615 -0.000 -7.422) 10.634 7.192 ( 5.871 -0.000 14.521) 15.663 7.242 ( -2.867 0.000 -9.889) 10.296 8.036 ( -14.762 0.000 9.013) 17.296 9.023 ( 14.354 -0.000 -9.441) 17.180 11.519 ( -20.191 0.000 3.377) 20.472 11.974 ( 7.087 -0.000 2.468) 7.505 13.654 ( -8.444 0.000 15.343) 17.513 13.802 ( -25.841 0.000 -9.093) 27.394 16.098 ( -0.475 0.000 6.118) 6.136 16.630 ( 4.681 -0.000 2.974) 5.546 17.188 ( 7.662 -0.000 -2.515) 8.064 17.482 ( 20.887 -0.000 0.262) 20.888 ======================= Grid point 503 (247/366) ======================= q-point: ( 0.18 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 4.305 6.402 -6.696) 10.215 2.098 ( -5.069 0.279 -9.082) 10.404 2.247 ( -1.935 1.128 6.144) 6.539 2.393 ( 3.126 -3.837 4.859) 6.936 2.892 ( 1.085 -0.336 4.889) 5.019 3.024 ( 5.895 -2.962 -3.449) 7.445 3.805 ( -1.832 4.343 5.582) 7.306 4.073 ( 3.320 5.011 -4.782) 7.681 4.258 ( -5.018 -6.283 -0.193) 8.043 4.688 ( -8.643 -3.306 -1.499) 9.375 5.388 ( 4.229 -0.229 10.869) 11.665 5.442 ( 8.689 -2.339 -1.061) 9.061 7.107 ( -0.936 0.834 -11.574) 11.642 7.386 ( 4.359 0.222 12.664) 13.395 7.943 ( -13.879 -1.403 6.006) 15.188 9.064 ( 10.613 1.566 -11.864) 15.995 11.310 ( -21.929 0.573 8.671) 23.588 12.065 ( 5.779 0.842 0.611) 5.872 13.461 ( -17.732 0.905 -4.761) 18.382 13.640 ( -12.705 2.224 11.488) 17.272 16.130 ( -3.294 -1.075 4.178) 5.428 16.747 ( 5.885 0.415 6.207) 8.563 17.305 ( 11.324 -3.048 -1.710) 11.851 17.794 ( 23.812 -2.828 3.297) 24.205 ======================= Grid point 504 (248/366) ======================= q-point: ( 0.27 0.09 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 0.449 8.302 -12.045) 14.636 1.959 ( -5.273 2.881 -5.242) 7.974 2.270 ( 0.477 0.912 3.525) 3.672 2.508 ( -0.485 -3.842 4.934) 6.272 2.931 ( -0.213 1.047 2.907) 3.097 3.122 ( 6.913 -4.840 -2.726) 8.868 3.785 ( 1.848 4.449 1.588) 5.073 3.933 ( -2.375 6.927 -6.627) 9.876 4.324 ( -2.081 -6.785 2.478) 7.517 4.639 ( -8.497 -5.790 1.555) 10.400 5.559 ( 10.343 -1.407 4.948) 11.551 5.608 ( 4.418 -2.410 10.451) 11.600 6.984 ( 1.272 0.870 -11.737) 11.838 7.538 ( 2.983 0.645 10.872) 11.292 7.843 ( -13.267 -2.490 2.225) 13.681 9.012 ( 6.318 3.198 -14.099) 15.777 11.162 ( -19.846 -1.078 13.787) 24.189 12.101 ( 4.130 2.615 -1.234) 5.042 13.248 ( -11.341 0.042 -2.232) 11.558 13.532 ( -12.587 3.013 6.180) 14.342 16.134 ( -5.661 -1.861 4.600) 7.528 16.854 ( 4.639 2.837 6.225) 8.265 17.483 ( 10.854 -4.770 -1.015) 11.900 18.174 ( 23.082 -2.945 7.476) 24.441 ======================= Grid point 505 (249/366) ======================= q-point: ( 0.36 0.09 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -0.276 7.793 -10.966) 13.456 1.789 ( -7.269 4.758 -3.216) 9.264 2.302 ( 0.516 1.541 4.440) 4.728 2.566 ( -2.819 -2.511 3.791) 5.350 2.935 ( 1.533 1.395 0.272) 2.091 3.237 ( 5.459 -4.910 -2.779) 7.851 3.723 ( -3.867 4.491 -8.690) 10.519 3.796 ( 3.067 6.809 3.908) 8.428 4.374 ( -6.160 -5.007 2.018) 8.191 4.670 ( -2.103 -7.657 1.777) 8.137 5.766 ( 1.114 -0.963 13.576) 13.656 5.782 ( 11.502 -2.138 4.609) 12.574 6.896 ( 3.036 0.466 -9.922) 10.386 7.651 ( 3.317 1.930 3.733) 5.354 7.728 ( -14.364 -4.058 4.747) 15.663 8.875 ( 2.718 4.394 -15.482) 16.321 11.133 ( -14.778 -4.305 17.227) 23.102 12.081 ( 2.525 4.482 -1.778) 5.443 13.120 ( -8.578 -0.468 -0.692) 8.619 13.403 ( -8.987 2.176 1.830) 9.426 16.134 ( -6.535 -2.216 5.868) 9.058 16.912 ( 3.494 4.078 4.744) 7.166 17.640 ( 7.657 -3.414 -1.001) 8.443 18.547 ( 18.587 -2.132 9.215) 20.855 ======================= Grid point 506 (250/366) ======================= q-point: (-0.55 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -0.113 6.821 -6.863) 9.677 1.633 ( -6.808 3.929 1.032) 7.928 2.320 ( -2.597 3.769 8.123) 9.323 2.584 ( -1.861 -1.441 0.718) 2.461 2.946 ( 3.224 0.131 -2.198) 3.904 3.302 ( 3.083 -1.783 -3.981) 5.342 3.521 ( -8.260 5.644 -2.239) 10.251 3.824 ( 7.061 3.399 0.136) 7.837 4.350 ( -9.757 -3.352 4.351) 11.197 4.789 ( 4.610 -7.398 -0.949) 8.769 5.850 ( -2.555 2.898 9.877) 10.606 6.012 ( 9.377 -3.434 5.642) 11.469 6.857 ( 3.667 -0.140 -6.295) 7.287 7.534 ( -8.679 -0.814 -7.961) 11.805 7.805 ( -2.742 -1.639 14.739) 15.082 8.690 ( 1.351 4.744 -15.206) 15.987 11.234 ( -8.172 -7.745 16.399) 19.892 12.034 ( 1.692 4.890 -0.262) 5.181 13.024 ( -8.411 -0.433 0.982) 8.479 13.308 ( -4.586 0.779 -0.289) 4.661 16.146 ( -6.343 -2.356 7.331) 9.976 16.937 ( 2.721 4.030 3.164) 5.801 17.727 ( 4.169 -0.474 -1.044) 4.324 18.830 ( 11.831 -0.949 5.794) 13.207 ======================= Grid point 507 (251/366) ======================= q-point: (-0.45 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 0.552 4.508 -0.168) 4.545 1.566 ( -3.435 1.698 5.477) 6.684 2.302 ( -5.541 6.664 11.461) 14.369 2.563 ( -1.714 0.493 -1.770) 2.513 2.959 ( 2.775 -1.783 -5.290) 6.234 3.248 ( -1.577 5.530 -4.049) 7.034 3.401 ( -3.754 0.950 2.142) 4.425 3.867 ( 4.121 0.921 -0.869) 4.312 4.336 ( -6.551 -1.663 8.094) 10.545 4.924 ( 7.744 -5.467 -3.670) 10.165 5.830 ( -4.965 5.323 6.114) 9.506 6.166 ( 3.515 -2.432 1.211) 4.443 6.845 ( 1.404 0.183 -4.889) 5.090 7.385 ( -6.921 -2.326 -4.431) 8.541 7.940 ( -2.985 -1.626 15.830) 16.191 8.519 ( 3.199 4.378 -13.184) 14.256 11.401 ( -1.982 -7.874 8.260) 11.583 12.027 ( 2.251 1.013 2.559) 3.556 12.962 ( -7.727 -1.774 6.115) 10.013 13.264 ( -1.864 -0.017 -0.225) 1.877 16.179 ( -5.871 -2.393 8.733) 10.792 16.943 ( 1.898 3.534 1.662) 4.342 17.736 ( 1.293 2.553 -1.040) 3.045 18.946 ( 3.574 1.252 -2.173) 4.367 ======================= Grid point 508 (252/366) ======================= q-point: (-0.36 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 1.195 1.493 7.146) 7.398 1.610 ( 1.067 -1.202 6.816) 7.003 2.232 ( -6.077 10.800 10.690) 16.367 2.521 ( -2.888 0.730 2.453) 3.859 2.941 ( -1.191 -3.668 -8.050) 8.926 3.120 ( -1.380 7.916 0.225) 8.039 3.394 ( 0.293 -0.000 0.467) 0.551 3.884 ( -0.163 -0.400 0.782) 0.893 4.391 ( -1.013 0.561 10.456) 10.520 5.033 ( 8.803 -3.143 -5.886) 11.046 5.724 ( -6.996 5.800 1.403) 9.195 6.174 ( -2.395 -0.060 -3.712) 4.418 6.762 ( -2.755 1.607 -7.075) 7.760 7.366 ( -3.491 -4.795 3.198) 6.739 8.069 ( -4.788 -1.465 16.407) 17.155 8.424 ( 8.064 3.592 -9.713) 13.126 11.503 ( 1.571 -3.073 -0.105) 3.453 12.089 ( 1.395 -4.434 -2.520) 5.287 13.068 ( -1.390 -9.204 16.792) 19.200 13.252 ( -0.992 -0.136 1.060) 1.458 16.227 ( -6.107 -2.384 10.011) 11.967 16.927 ( 0.570 3.273 0.344) 3.340 17.678 ( -0.941 5.198 -1.491) 5.488 18.822 ( -6.172 5.868 -12.038) 14.746 ======================= Grid point 509 (253/366) ======================= q-point: (-0.27 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 0.475 0.422 12.744) 12.760 1.745 ( 5.660 -5.587 3.577) 8.721 2.122 ( -3.074 13.202 10.967) 17.436 2.522 ( -5.551 -0.073 6.882) 8.842 2.869 ( -4.636 -0.467 -3.167) 5.634 3.035 ( 1.258 4.744 -1.441) 5.115 3.407 ( 1.316 -0.570 -0.548) 1.535 3.901 ( -0.133 -0.313 2.648) 2.670 4.474 ( 0.897 3.114 10.455) 10.945 5.097 ( 8.012 -1.114 -7.616) 11.110 5.552 ( -8.193 4.378 -4.121) 10.162 6.049 ( -6.479 2.699 -6.958) 9.883 6.657 ( -1.758 1.774 -2.108) 3.268 7.425 ( -4.125 -5.467 3.638) 7.755 8.167 ( -7.545 -0.840 16.048) 17.753 8.446 ( 13.518 2.251 -5.910) 14.924 11.546 ( 3.722 -0.737 -0.983) 3.919 12.079 ( -2.583 -4.336 -8.255) 9.676 13.263 ( -0.754 -0.144 3.646) 3.726 13.474 ( 7.944 -20.344 17.159) 27.775 16.274 ( -8.423 -2.444 11.074) 14.126 16.879 ( -1.376 3.584 -0.662) 3.896 17.560 ( -2.447 7.274 -2.627) 8.111 18.417 ( -14.902 13.538 -19.239) 27.847 ======================= Grid point 510 (254/366) ======================= q-point: (-0.18 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 0.419 1.356 15.292) 15.357 1.918 ( 8.347 -4.549 -2.081) 9.732 2.099 ( 1.012 6.227 14.476) 15.791 2.469 ( -10.800 0.797 3.320) 11.327 2.806 ( -1.757 5.129 3.643) 6.531 3.018 ( 3.050 -0.202 -1.549) 3.427 3.434 ( 0.141 -2.929 0.655) 3.005 3.935 ( 1.484 1.016 3.112) 3.594 4.522 ( -0.090 5.044 8.061) 9.509 5.106 ( 5.177 0.187 -8.278) 9.765 5.363 ( -6.226 1.879 -7.252) 9.741 5.831 ( -8.461 4.933 -8.551) 13.001 6.657 ( 1.701 1.138 5.815) 6.165 7.455 ( -4.706 -4.619 0.559) 6.618 8.211 ( -10.666 0.156 14.889) 18.316 8.569 ( 16.628 0.501 -4.161) 17.148 11.608 ( 5.117 -0.905 0.784) 5.256 11.999 ( -5.479 -3.561 -7.424) 9.891 13.313 ( -0.194 -0.942 7.050) 7.115 13.996 ( 9.256 -25.671 5.665) 27.871 16.273 ( -15.383 -1.591 11.796) 19.450 16.790 ( -3.103 4.616 -1.664) 5.806 17.399 ( -2.356 8.248 -4.028) 9.477 17.825 ( -13.769 20.226 -17.944) 30.342 ======================= Grid point 511 (255/366) ======================= q-point: (-0.09 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 2.424 0.730 14.516) 14.736 2.016 ( 9.128 3.529 2.545) 10.112 2.233 ( -0.019 -5.392 5.181) 7.478 2.347 ( -9.609 0.881 3.121) 10.141 2.762 ( -0.347 4.455 2.982) 5.372 3.040 ( 4.936 3.296 -3.000) 6.651 3.524 ( -1.711 -8.213 6.772) 10.782 3.964 ( 2.534 3.198 2.912) 5.012 4.502 ( -2.050 4.656 3.238) 6.030 5.059 ( 1.086 0.909 -7.976) 8.100 5.236 ( -2.380 0.083 -5.290) 5.802 5.584 ( -6.712 5.461 -8.363) 12.033 6.775 ( 4.689 0.354 11.776) 12.680 7.433 ( -4.475 -3.003 -3.097) 6.216 8.192 ( -13.314 0.963 13.226) 18.791 8.739 ( 17.514 -0.798 -4.942) 18.216 11.703 ( 4.217 -2.296 2.349) 5.345 11.894 ( -7.335 -1.543 -4.442) 8.712 13.420 ( -0.278 -1.955 11.475) 11.644 14.332 ( -4.214 -21.959 -8.914) 24.071 16.143 ( -20.624 3.760 12.491) 24.403 16.674 ( -1.683 4.930 -2.544) 5.797 17.248 ( 0.526 6.947 -3.891) 7.980 17.381 ( 1.576 15.716 -8.659) 18.013 ======================= Grid point 514 (256/366) ======================= q-point: ( 0.18 0.18 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -7.226 0.000 -11.825) 13.858 1.995 ( 3.267 -0.000 -8.481) 9.089 2.286 ( 1.269 -0.000 2.000) 2.368 2.448 ( 1.150 -0.000 5.994) 6.103 2.947 ( 0.936 -0.000 3.557) 3.678 3.059 ( 6.861 -0.000 -2.362) 7.256 3.844 ( -0.337 0.000 0.797) 0.865 4.082 ( -9.063 0.000 -0.003) 9.063 4.179 ( 4.535 -0.000 -0.753) 4.597 4.558 ( -8.187 0.000 0.672) 8.215 5.550 ( 12.463 -0.000 0.283) 12.467 5.567 ( 2.989 -0.000 15.480) 15.766 6.994 ( 1.399 -0.000 -12.755) 12.832 7.545 ( 1.901 -0.000 11.928) 12.078 7.813 ( -12.679 0.000 2.229) 12.874 9.055 ( 6.769 -0.000 -14.110) 15.650 11.146 ( -21.496 0.000 12.692) 24.963 12.133 ( 4.185 -0.000 -0.382) 4.202 13.248 ( -11.900 0.000 -2.824) 12.231 13.572 ( -14.510 0.000 6.855) 16.048 16.115 ( -4.282 0.000 4.065) 5.904 16.902 ( 5.838 -0.000 8.305) 10.151 17.413 ( 12.554 -0.000 -2.638) 12.829 18.135 ( 25.223 -0.000 7.285) 26.254 ======================= Grid point 515 (257/366) ======================= q-point: ( 0.27 0.18 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -7.419 2.001 -9.376) 12.123 1.900 ( -0.606 2.942 -9.974) 10.416 2.324 ( 4.237 0.617 -0.129) 4.283 2.518 ( -2.069 -1.286 6.795) 7.218 2.975 ( 2.351 1.230 -0.192) 2.660 3.137 ( 7.145 -2.465 -2.794) 8.058 3.806 ( -2.681 2.211 -3.984) 5.287 3.974 ( -3.745 6.049 5.949) 9.274 4.237 ( -1.764 -5.290 -0.913) 5.651 4.517 ( -4.170 -3.787 2.747) 6.267 5.732 ( 11.883 -0.754 5.212) 12.997 5.753 ( 2.767 -0.820 13.623) 13.925 6.902 ( 3.419 0.108 -11.808) 12.294 7.662 ( -11.636 -1.133 11.205) 16.193 7.680 ( 0.090 0.336 -1.453) 1.494 8.959 ( 3.291 2.002 -15.362) 15.838 11.051 ( -18.127 -1.911 15.943) 24.216 12.156 ( 2.622 1.547 -1.577) 3.429 13.109 ( -8.446 -0.308 -1.314) 8.553 13.443 ( -11.975 0.907 2.287) 12.225 16.111 ( -4.587 -0.178 6.278) 7.777 17.020 ( 4.310 3.430 7.186) 9.054 17.551 ( 11.124 -2.841 -2.952) 11.854 18.513 ( 21.352 -0.679 9.229) 23.271 ======================= Grid point 516 (258/366) ======================= q-point: ( 0.36 0.18 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -6.478 2.418 -5.091) 8.587 1.744 ( -1.856 4.160 -8.482) 9.628 2.371 ( 3.248 0.711 1.928) 3.843 2.553 ( -3.894 -0.539 5.951) 7.132 2.974 ( 4.682 1.622 -5.290) 7.248 3.227 ( 6.274 -3.288 -3.503) 7.902 3.661 ( -7.659 5.197 -1.116) 9.323 3.953 ( 2.698 6.138 3.811) 7.712 4.243 ( -7.561 -5.133 2.692) 9.527 4.603 ( 2.382 -6.845 2.193) 7.572 5.892 ( -1.179 0.722 12.787) 12.861 5.945 ( 11.210 -1.948 4.160) 12.115 6.852 ( 4.402 -0.229 -8.409) 9.494 7.500 ( -11.633 -1.301 -5.978) 13.144 7.790 ( -0.285 -0.060 12.970) 12.973 8.803 ( 1.826 3.870 -14.924) 15.525 11.066 ( -13.091 -5.351 17.152) 22.231 12.131 ( 1.348 2.846 -2.581) 4.071 13.012 ( -7.705 -0.494 0.068) 7.722 13.323 ( -7.202 0.437 -0.323) 7.223 16.131 ( -4.158 0.358 9.052) 9.967 17.067 ( 3.459 5.723 4.987) 8.342 17.679 ( 7.991 -2.930 -2.817) 8.966 18.819 ( 14.205 -0.067 7.094) 15.878 ======================= Grid point 517 (259/366) ======================= q-point: (-0.55 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -3.379 2.735 -0.781) 4.417 1.618 ( -1.636 2.304 -3.860) 4.784 2.415 ( -0.381 2.232 7.004) 7.361 2.557 ( -3.997 -0.133 3.929) 5.606 2.943 ( 5.032 0.510 -11.001) 12.108 3.293 ( 4.496 -1.567 -3.088) 5.675 3.504 ( -6.257 6.750 2.748) 9.605 3.934 ( 0.761 4.092 0.591) 4.204 4.270 ( -3.885 -3.303 7.625) 9.173 4.756 ( 5.118 -7.652 0.509) 9.220 5.938 ( -4.461 3.338 8.732) 10.358 6.107 ( 6.745 -2.183 0.179) 7.092 6.846 ( 3.333 -0.149 -4.471) 5.579 7.320 ( -9.968 -2.361 -6.687) 12.234 7.918 ( -1.502 -0.344 15.126) 15.204 8.643 ( 3.488 5.120 -12.436) 13.893 11.183 ( -7.902 -8.615 14.563) 18.674 12.080 ( 0.936 2.541 -3.340) 4.300 12.934 ( -8.054 -0.757 2.867) 8.583 13.257 ( -3.143 -0.421 -0.415) 3.198 16.175 ( -3.307 1.278 11.558) 12.089 17.070 ( 3.052 6.331 3.019) 7.649 17.755 ( 4.727 -0.934 -2.646) 5.497 18.978 ( 6.256 1.336 0.868) 6.455 ======================= Grid point 518 (260/366) ======================= q-point: (-0.45 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -0.064 2.060 2.857) 3.523 1.585 ( -0.335 -1.086 0.966) 1.491 2.439 ( -4.676 5.340 13.606) 15.346 2.534 ( -3.093 0.534 1.256) 3.381 2.874 ( 2.494 -1.437 -13.312) 13.620 3.294 ( -0.395 4.676 0.952) 4.788 3.424 ( 1.601 3.410 0.146) 3.770 3.897 ( -1.037 1.770 0.865) 2.227 4.374 ( 1.686 -1.535 9.811) 10.072 4.909 ( 5.621 -6.698 -1.061) 8.808 5.867 ( -7.494 5.453 2.778) 9.675 6.155 ( 1.154 -1.280 -4.521) 4.839 6.806 ( -0.700 1.834 -6.069) 6.379 7.234 ( -6.265 -5.497 0.327) 8.342 8.048 ( -3.092 -0.318 16.353) 16.646 8.541 ( 7.726 5.555 -8.488) 12.751 11.336 ( -3.971 -9.357 7.681) 12.740 12.036 ( 0.957 0.019 -4.955) 5.047 12.920 ( -6.613 -3.497 9.709) 12.257 13.241 ( -1.443 -0.721 0.953) 1.874 16.239 ( -2.746 2.387 13.535) 14.016 17.049 ( 2.633 6.283 1.369) 6.948 17.765 ( 1.913 1.777 -2.599) 3.684 18.944 ( -1.561 4.106 -7.554) 8.738 ======================= Grid point 519 (261/366) ======================= q-point: (-0.36 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 0.243 -0.575 7.640) 7.665 1.642 ( 2.320 -3.567 1.649) 4.563 2.417 ( -4.277 9.969 12.494) 16.546 2.521 ( -3.751 -0.245 5.139) 6.367 2.803 ( -0.221 -3.246 -8.431) 9.037 3.204 ( -2.803 7.925 1.704) 8.577 3.431 ( 5.576 1.763 -2.970) 6.559 3.896 ( 1.405 0.551 1.312) 2.000 4.517 ( 3.790 0.268 10.026) 10.721 5.026 ( 4.287 -4.706 -2.161) 6.722 5.683 ( -9.544 5.805 -4.245) 11.950 6.086 ( -3.369 0.418 -7.604) 8.327 6.711 ( -1.042 2.497 -2.919) 3.980 7.269 ( -5.210 -6.928 3.171) 9.230 8.159 ( -5.285 0.169 16.445) 17.274 8.535 ( 12.002 4.903 -4.758) 13.810 11.448 ( -1.870 -7.530 1.644) 7.930 11.993 ( -0.294 -1.952 -8.032) 8.271 13.082 ( -2.231 -11.195 16.302) 19.901 13.252 ( -1.282 -0.711 3.083) 3.413 16.304 ( -3.510 3.717 14.972) 15.821 17.006 ( 1.827 6.394 0.118) 6.651 17.708 ( -0.326 4.591 -2.921) 5.451 18.691 ( -8.349 8.971 -15.248) 19.562 ======================= Grid point 520 (262/366) ======================= q-point: (-0.27 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -0.534 -2.993 11.931) 12.312 1.750 ( 4.346 -5.872 0.061) 7.306 2.364 ( 0.253 11.014 9.325) 14.433 2.497 ( -7.783 1.433 4.062) 8.896 2.827 ( 0.599 -4.671 3.755) 6.023 3.078 ( -3.665 7.419 0.642) 8.300 3.445 ( 6.328 2.337 -4.251) 7.974 3.936 ( 4.387 0.049 -0.242) 4.393 4.630 ( 2.753 3.063 8.079) 9.068 5.081 ( 0.246 -2.366 -1.468) 2.795 5.443 ( -7.337 4.194 -9.065) 12.393 5.925 ( -5.974 2.551 -9.366) 11.398 6.693 ( 1.614 1.803 4.400) 5.021 7.313 ( -5.004 -6.638 1.175) 8.395 8.226 ( -7.995 1.120 15.437) 17.420 8.611 ( 14.194 3.101 -3.132) 14.863 11.521 ( -1.637 -6.775 0.382) 6.980 11.926 ( -1.030 -1.750 -8.009) 8.263 13.282 ( -1.320 -1.932 4.955) 5.480 13.425 ( 0.022 -18.694 14.585) 23.710 16.338 ( -6.636 5.512 15.701) 17.914 16.936 ( 0.517 7.010 -0.621) 7.056 17.592 ( -1.607 7.121 -3.397) 8.051 18.254 ( -10.415 14.620 -18.806) 25.997 ======================= Grid point 521 (263/366) ======================= q-point: (-0.18 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -0.072 -2.883 12.112) 12.451 1.892 ( 4.473 -8.764 -0.688) 9.863 2.338 ( 1.758 8.941 7.618) 11.878 2.391 ( -8.658 3.130 2.646) 9.579 2.928 ( -0.144 7.803 6.208) 9.972 3.004 ( -0.604 -5.541 3.630) 6.651 3.447 ( 5.507 1.860 -3.912) 7.007 3.985 ( 5.775 -0.203 -2.892) 6.462 4.641 ( -1.824 5.498 3.197) 6.616 5.067 ( -5.661 -0.259 2.992) 6.409 5.268 ( 0.630 2.043 -9.849) 10.078 5.715 ( -5.655 4.526 -9.414) 11.878 6.787 ( 4.232 0.611 10.199) 11.059 7.328 ( -4.175 -5.441 -2.130) 7.181 8.231 ( -10.789 2.211 13.512) 17.432 8.733 ( 14.815 0.700 -3.878) 15.330 11.580 ( -5.425 -7.819 1.395) 9.618 11.872 ( 1.404 -0.144 -5.034) 5.228 13.357 ( -1.442 -2.928 8.456) 9.064 13.761 ( -4.621 -21.843 5.298) 22.946 16.295 ( -11.255 8.153 15.136) 20.549 16.835 ( -0.788 7.768 -1.072) 7.881 17.442 ( -1.298 8.565 -3.166) 9.223 17.796 ( -2.284 16.292 -15.695) 22.737 ======================= Grid point 522 (264/366) ======================= q-point: (-0.09 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 0.694 -3.268 6.365) 7.188 2.044 ( 3.210 -8.358 -0.256) 8.957 2.277 ( -8.518 0.307 2.940) 9.016 2.346 ( 3.379 8.002 6.942) 11.120 2.860 ( -0.974 6.247 4.160) 7.569 3.100 ( 3.462 1.029 -0.789) 3.696 3.501 ( 2.906 -4.469 3.464) 6.357 4.020 ( 5.718 -0.455 -5.296) 7.807 4.535 ( -5.872 5.164 0.053) 7.820 5.007 ( -7.077 2.451 1.813) 7.706 5.213 ( 3.406 1.351 -2.401) 4.381 5.522 ( -1.248 5.117 -7.871) 9.471 6.964 ( 5.603 -0.516 13.270) 14.414 7.300 ( -3.216 -3.559 -5.768) 7.502 8.173 ( -13.005 2.860 11.169) 17.379 8.871 ( 14.710 -1.359 -6.161) 16.006 11.579 ( -13.728 -7.229 2.518) 15.718 11.885 ( 6.374 0.672 -1.295) 6.539 13.478 ( -3.041 -4.354 12.015) 13.137 13.886 ( -15.526 -15.906 -3.709) 22.535 16.187 ( -9.488 8.459 12.864) 18.084 16.722 ( -0.493 6.781 -0.853) 6.852 17.309 ( 1.457 7.860 -2.566) 8.396 17.560 ( 10.789 12.186 -7.611) 17.968 ======================= Grid point 526 (265/366) ======================= q-point: ( 0.27 0.27 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -8.699 0.000 -3.876) 9.524 1.797 ( -1.091 0.000 -12.178) 12.227 2.378 ( 6.594 -0.000 -3.303) 7.375 2.550 ( -5.030 0.000 9.709) 10.934 2.998 ( 4.973 -0.000 -6.519) 8.199 3.180 ( 7.782 -0.000 -4.076) 8.785 3.737 ( -8.907 0.000 2.876) 9.360 4.075 ( 0.901 -0.000 8.999) 9.044 4.132 ( -5.766 0.000 -3.024) 6.511 4.508 ( 1.693 -0.000 2.714) 3.199 5.899 ( -0.204 0.000 13.535) 13.536 5.920 ( 11.558 -0.000 3.889) 12.195 6.849 ( 4.711 -0.000 -9.309) 10.433 7.484 ( -11.947 0.000 -5.131) 13.002 7.790 ( -0.031 0.000 12.339) 12.339 8.854 ( 1.949 -0.000 -14.749) 14.877 10.997 ( -14.708 0.000 17.105) 22.559 12.167 ( 1.377 -0.000 -3.268) 3.546 13.005 ( -7.382 0.000 -0.200) 7.385 13.329 ( -8.335 0.000 -0.320) 8.341 16.138 ( -3.518 0.000 9.669) 10.289 17.155 ( 2.745 -0.000 6.563) 7.114 17.629 ( 10.327 -0.000 -4.461) 11.249 18.820 ( 15.088 -0.000 7.567) 16.879 ======================= Grid point 527 (266/366) ======================= q-point: ( 0.36 0.27 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -6.278 0.664 1.462) 6.480 1.659 ( -1.282 0.862 -11.032) 11.139 2.425 ( 5.139 -0.404 -2.033) 5.541 2.573 ( -6.647 0.809 10.582) 12.523 2.963 ( 5.612 0.663 -13.266) 14.419 3.243 ( 7.981 -1.525 -5.034) 9.558 3.659 ( -8.732 4.548 9.389) 13.605 4.014 ( -6.270 1.477 -0.299) 6.448 4.204 ( 2.760 -1.360 8.180) 8.739 4.595 ( 4.049 -4.273 1.760) 6.144 5.991 ( -3.678 1.030 10.813) 11.467 6.067 ( 8.404 -0.940 -0.942) 8.509 6.841 ( 4.373 -0.190 -4.388) 6.198 7.282 ( -10.552 -0.746 -8.384) 13.498 7.915 ( -1.200 -0.012 15.038) 15.086 8.740 ( 3.529 2.287 -11.903) 12.624 11.026 ( -10.839 -3.549 16.279) 19.877 12.128 ( 0.849 1.088 -5.933) 6.092 12.921 ( -7.693 -0.287 1.628) 7.869 13.248 ( -4.112 -0.210 -0.510) 4.149 16.208 ( -2.365 0.914 13.063) 13.307 17.211 ( 1.910 3.965 4.754) 6.479 17.711 ( 8.129 -1.783 -4.653) 9.534 19.004 ( 7.250 0.621 2.516) 7.699 ======================= Grid point 528 (267/366) ======================= q-point: ( 0.45 0.27 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -1.757 1.483 3.429) 4.128 1.556 ( -1.305 -1.176 -6.210) 6.454 2.472 ( 1.952 -1.112 0.516) 2.305 2.574 ( -8.451 1.906 12.471) 15.185 2.871 ( 4.987 0.690 -16.698) 17.440 3.309 ( 7.347 -1.409 -4.750) 8.861 3.591 ( -4.471 8.239 8.880) 12.912 3.943 ( -5.415 0.781 3.717) 6.614 4.342 ( 5.455 -0.520 7.744) 9.486 4.731 ( 3.919 -7.007 1.317) 8.136 5.975 ( -7.641 3.185 4.764) 9.551 6.120 ( 3.873 -1.370 -6.329) 7.546 6.846 ( 1.378 1.315 -3.155) 3.685 7.120 ( -7.568 -3.503 -4.711) 9.578 8.048 ( -2.426 0.172 16.938) 17.111 8.670 ( 7.438 4.342 -7.499) 11.419 11.120 ( -7.964 -7.014 12.601) 16.474 12.056 ( 1.509 1.004 -8.638) 8.826 12.867 ( -7.610 -1.234 5.564) 9.507 13.222 ( -1.691 -0.651 0.974) 2.057 16.305 ( -1.334 2.430 15.594) 15.838 17.207 ( 1.765 5.911 2.835) 6.789 17.770 ( 5.401 -1.013 -4.240) 6.941 19.022 ( 0.067 2.236 -4.588) 5.104 ======================= Grid point 529 (268/366) ======================= q-point: (-0.45 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -0.501 0.830 2.757) 2.922 1.554 ( 1.143 -3.489 -0.315) 3.685 2.500 ( -2.517 -1.477 2.050) 3.567 2.574 ( -9.356 2.520 16.768) 19.366 2.764 ( 5.720 0.671 -16.218) 17.210 3.349 ( 3.927 1.975 -1.933) 4.802 3.522 ( 0.872 7.464 2.577) 7.944 3.937 ( -0.942 2.116 6.181) 6.601 4.499 ( 6.911 -1.187 6.729) 9.719 4.873 ( 2.197 -7.338 1.654) 7.836 5.815 ( -11.228 4.699 -3.445) 12.650 6.077 ( -0.328 -0.928 -9.556) 9.606 6.778 ( -0.515 2.963 -3.212) 4.400 7.103 ( -4.893 -6.322 1.679) 8.169 8.172 ( -4.063 0.750 17.575) 18.054 8.670 ( 11.046 5.600 -3.634) 12.907 11.227 ( -7.045 -8.997 7.174) 13.493 11.979 ( 2.610 0.291 -10.671) 10.990 12.899 ( -5.554 -4.560 11.422) 13.495 13.232 ( -1.379 -0.811 2.705) 3.142 16.410 ( -1.080 4.264 17.114) 17.670 17.171 ( 1.651 6.577 1.376) 6.919 17.780 ( 2.959 1.350 -3.855) 5.044 18.863 ( -5.704 5.145 -11.665) 13.967 ======================= Grid point 530 (269/366) ======================= q-point: (-0.36 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -1.643 -2.664 6.479) 7.195 1.633 ( 3.768 -3.778 -0.143) 5.338 2.481 ( -7.461 -0.541 4.193) 8.576 2.613 ( -4.794 4.977 15.719) 17.171 2.701 ( 4.683 -3.014 -9.994) 11.441 3.297 ( -1.750 8.838 3.024) 9.504 3.504 ( 7.032 2.870 -3.900) 8.538 3.973 ( 3.918 3.106 3.400) 6.046 4.655 ( 6.330 -0.996 4.691) 7.941 4.984 ( -1.175 -5.483 3.340) 6.527 5.550 ( -11.573 4.253 -8.988) 15.258 5.958 ( -3.020 0.278 -11.272) 11.673 6.744 ( 1.436 2.350 2.549) 3.753 7.145 ( -4.551 -6.741 1.478) 8.267 8.263 ( -6.179 1.743 16.848) 18.030 8.720 ( 12.438 5.537 -2.068) 13.771 11.302 ( -7.996 -9.826 3.696) 13.196 11.911 ( 3.822 0.026 -10.825) 11.480 13.064 ( -2.996 -9.781 13.941) 17.291 13.259 ( -1.900 -1.339 4.645) 5.194 16.494 ( -2.547 6.487 17.664) 18.989 17.114 ( 1.072 7.049 0.536) 7.150 17.734 ( 1.280 4.371 -3.515) 5.753 18.544 ( -8.962 9.153 -16.458) 20.856 ======================= Grid point 531 (270/366) ======================= q-point: (-0.27 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -1.363 -5.749 9.321) 11.036 1.725 ( 3.519 -4.713 -0.746) 5.929 2.410 ( -10.612 0.386 3.715) 11.250 2.596 ( 4.361 8.858 2.163) 10.107 2.799 ( -1.128 -8.232 7.520) 11.207 3.183 ( -2.549 11.034 5.302) 12.504 3.520 ( 8.058 2.703 -5.756) 10.265 4.010 ( 7.068 2.951 -2.419) 8.032 4.728 ( 0.033 1.076 -0.008) 1.077 5.043 ( -5.527 -2.027 8.180) 10.078 5.314 ( -4.218 1.631 -9.257) 10.303 5.792 ( -3.579 1.849 -11.154) 11.859 6.805 ( 3.674 0.926 7.611) 8.502 7.179 ( -3.639 -6.395 -1.079) 7.437 8.297 ( -8.613 3.045 14.783) 17.378 8.790 ( 12.168 3.996 -2.733) 13.096 11.348 ( -10.508 -10.310 3.719) 15.183 11.873 ( 5.796 -0.075 -8.785) 10.525 13.266 ( -2.687 -6.841 7.651) 10.610 13.344 ( -3.016 -9.511 9.725) 13.933 16.515 ( -6.184 9.232 16.907) 20.231 17.032 ( -0.432 7.825 0.238) 7.841 17.643 ( 0.778 7.422 -2.602) 7.903 18.144 ( -6.379 11.881 -16.937) 21.650 ======================= Grid point 532 (271/366) ======================= q-point: (-0.18 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -2.045 -6.058 4.843) 8.021 1.835 ( 2.817 -7.281 1.468) 7.943 2.300 ( -10.429 0.900 2.944) 10.874 2.567 ( 4.203 8.959 3.573) 10.521 2.949 ( -2.878 -5.840 5.221) 8.345 3.099 ( 0.488 7.579 7.462) 10.647 3.519 ( 7.052 3.338 -5.294) 9.429 4.019 ( 8.170 1.577 -9.281) 12.465 4.634 ( -8.664 2.490 -0.279) 9.019 5.055 ( -7.241 1.097 7.651) 10.591 5.246 ( 4.304 0.940 -2.753) 5.195 5.628 ( -1.218 3.169 -9.323) 9.922 6.948 ( 4.851 -0.694 10.704) 11.773 7.189 ( -2.113 -5.331 -4.406) 7.232 8.262 ( -10.950 4.240 11.799) 16.647 8.865 ( 11.596 1.336 -4.907) 12.662 11.368 ( -13.955 -9.578 5.871) 17.915 11.886 ( 7.412 -0.612 -6.150) 9.651 13.364 ( -3.128 -4.724 8.281) 10.034 13.515 ( -7.663 -13.212 4.910) 16.043 16.440 ( -9.676 11.539 14.591) 20.968 16.913 ( -2.670 8.283 -0.213) 8.705 17.529 ( 1.342 9.528 -1.590) 9.752 17.844 ( 4.323 10.406 -11.194) 15.883 ======================= Grid point 533 (272/366) ======================= q-point: (-0.09 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -2.845 -6.712 -2.759) 7.794 1.981 ( 1.453 -8.072 1.071) 8.272 2.215 ( -6.806 0.354 3.746) 7.777 2.546 ( 1.320 7.951 6.381) 10.279 2.937 ( -3.574 3.297 3.882) 6.222 3.151 ( 4.268 1.268 0.149) 4.454 3.541 ( 4.391 -0.962 0.650) 4.542 3.995 ( 6.990 -1.085 -13.748) 15.461 4.506 ( -8.507 3.460 3.766) 9.926 4.973 ( -8.729 3.848 2.296) 9.812 5.308 ( 6.080 2.212 4.757) 8.031 5.524 ( 2.870 3.568 -4.922) 6.722 7.101 ( 0.108 -2.841 2.706) 3.925 7.203 ( 4.022 -2.505 1.454) 4.957 8.159 ( -12.741 4.709 8.584) 16.068 8.942 ( 10.930 -1.429 -8.064) 13.658 11.349 ( -17.183 -6.629 8.605) 20.329 11.943 ( 7.288 -1.681 -3.876) 8.424 13.468 ( -5.471 -5.741 9.746) 12.564 13.542 ( -13.041 -8.447 -0.429) 15.544 16.309 ( -9.028 10.051 11.036) 17.445 16.785 ( -2.184 6.052 0.266) 6.440 17.439 ( 5.422 8.700 -1.078) 10.308 17.783 ( 13.714 8.061 -2.490) 16.102 ======================= Grid point 538 (273/366) ======================= q-point: ( 0.36 0.36 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -2.248 0.000 5.554) 5.992 1.538 ( -1.743 0.000 -10.244) 10.391 2.452 ( 2.813 -0.000 -1.652) 3.262 2.598 ( -8.501 0.000 11.869) 14.599 2.882 ( 5.233 -0.000 -16.629) 17.433 3.286 ( 9.331 -0.000 -6.079) 11.136 3.727 ( -6.338 0.000 16.060) 17.265 3.928 ( -6.441 0.000 0.698) 6.479 4.346 ( 6.159 -0.000 8.392) 10.409 4.628 ( 3.864 -0.000 0.628) 3.915 6.016 ( -8.117 0.000 6.670) 10.506 6.100 ( 5.322 -0.000 -8.117) 9.706 6.863 ( 2.600 -0.000 -0.415) 2.633 7.075 ( -8.228 0.000 -8.489) 11.822 8.051 ( -2.265 0.000 17.284) 17.432 8.727 ( 7.411 -0.000 -7.109) 10.269 11.030 ( -9.097 0.000 13.860) 16.578 12.070 ( 1.712 -0.000 -10.004) 10.149 12.852 ( -7.735 0.000 4.349) 8.873 13.214 ( -1.783 0.000 1.005) 2.047 16.337 ( -1.100 0.000 16.370) 16.407 17.291 ( 0.187 -0.000 3.918) 3.922 17.748 ( 7.748 -0.000 -5.447) 9.471 19.050 ( 0.340 -0.000 -3.548) 3.565 ======================= Grid point 539 (274/366) ======================= q-point: ( 0.45 0.36 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -1.371 1.284 -3.350) 3.841 1.483 ( 1.630 -2.065 2.499) 3.629 2.460 ( -1.723 -1.216 0.208) 2.119 2.589 ( -10.018 -0.149 9.719) 13.959 2.799 ( 6.049 1.054 -12.430) 13.864 3.350 ( 9.862 -0.518 -5.982) 11.546 3.749 ( -3.297 9.202 10.759) 14.536 3.934 ( -3.105 -3.401 8.869) 9.993 4.493 ( 7.311 0.937 5.653) 9.289 4.705 ( 2.110 -5.201 1.261) 5.753 5.901 ( -12.982 2.011 -1.641) 13.239 6.051 ( 2.300 -0.876 -12.095) 12.343 6.855 ( -0.348 3.227 -1.576) 3.609 6.970 ( -4.009 -4.389 -1.338) 6.093 8.188 ( -3.662 0.399 18.515) 18.878 8.778 ( 10.855 2.582 -2.949) 11.541 11.062 ( -8.887 -3.736 10.098) 13.961 11.988 ( 3.704 0.247 -12.924) 13.447 12.831 ( -6.541 -1.276 8.508) 10.808 13.217 ( -1.267 -0.344 2.638) 2.947 16.488 ( -0.394 1.753 18.299) 18.387 17.298 ( -0.606 3.093 2.604) 4.089 17.788 ( 6.465 -0.227 -4.968) 8.156 18.946 ( -5.028 1.675 -9.688) 11.042 ======================= Grid point 540 (275/366) ======================= q-point: (-0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -2.290 -1.787 -0.285) 2.919 1.576 ( 5.186 -0.868 2.228) 5.711 2.441 ( -6.607 -2.148 1.955) 7.217 2.570 ( -6.814 -2.875 5.432) 9.176 2.767 ( 4.979 2.981 -3.608) 6.833 3.412 ( 8.586 0.875 -4.639) 9.798 3.676 ( -0.828 10.879 6.436) 12.667 4.043 ( 1.012 0.794 10.742) 10.819 4.611 ( 7.335 -1.267 -0.026) 7.443 4.825 ( -0.438 -7.035 5.303) 8.820 5.640 ( -15.499 2.851 -8.194) 17.762 5.950 ( 0.176 -0.693 -13.738) 13.757 6.808 ( 0.676 2.918 1.358) 3.289 6.997 ( -3.112 -5.236 1.345) 6.238 8.302 ( -5.457 1.289 18.358) 19.195 8.854 ( 11.834 4.698 -1.427) 12.812 11.092 ( -10.182 -6.549 7.013) 13.991 11.912 ( 5.796 0.035 -13.996) 15.148 12.899 ( -4.195 -4.108 12.248) 13.582 13.235 ( -1.940 -0.673 3.605) 4.149 16.628 ( -0.673 4.085 18.889) 19.337 17.261 ( -0.969 4.523 1.608) 4.897 17.807 ( 5.034 1.707 -3.898) 6.591 18.707 ( -8.474 4.305 -14.421) 17.272 ======================= Grid point 541 (276/366) ======================= q-point: (-0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -1.897 -4.647 4.614) 6.818 1.658 ( 5.057 -0.813 -0.354) 5.134 2.388 ( -9.930 -2.018 2.619) 10.466 2.618 ( -0.359 -6.042 2.300) 6.475 2.765 ( 1.914 4.607 3.758) 6.246 3.429 ( 3.661 6.141 0.458) 7.165 3.606 ( 2.891 7.501 0.884) 8.087 4.125 ( 5.389 5.227 4.985) 9.012 4.688 ( 1.701 -3.717 -3.610) 5.454 4.953 ( -2.393 -5.344 8.144) 10.030 5.352 ( -11.824 1.469 -7.370) 14.010 5.815 ( -0.575 0.246 -13.660) 13.675 6.834 ( 2.821 1.400 4.943) 5.861 7.033 ( -2.864 -5.172 0.225) 5.916 8.370 ( -7.564 2.644 16.679) 18.504 8.913 ( 10.771 5.474 -2.261) 12.292 11.112 ( -12.064 -8.296 6.687) 16.096 11.864 ( 7.485 -0.578 -13.178) 15.166 13.051 ( -2.794 -7.088 12.527) 14.662 13.258 ( -2.664 -1.583 4.311) 5.309 16.722 ( -2.701 7.180 18.087) 19.647 17.197 ( -1.776 5.386 1.244) 5.806 17.794 ( 4.311 4.789 -2.181) 6.802 18.375 ( -9.002 6.949 -16.387) 19.946 ======================= Grid point 542 (277/366) ======================= q-point: (-0.27 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -2.237 -6.612 5.365) 8.804 1.719 ( 3.445 -2.200 -0.697) 4.147 2.302 ( -10.738 -0.903 2.572) 11.078 2.729 ( 10.628 -1.681 -7.277) 12.990 2.777 ( -7.717 -0.528 14.942) 16.826 3.358 ( -1.983 11.315 6.210) 13.058 3.582 ( 6.215 2.458 -5.750) 8.816 4.130 ( 7.830 7.136 -5.770) 12.064 4.645 ( -9.547 -1.787 -0.526) 9.727 5.028 ( -4.733 -3.766 3.800) 7.143 5.252 ( 0.468 -0.387 2.980) 3.041 5.678 ( 0.463 1.182 -11.841) 11.909 6.935 ( 4.413 -0.387 7.645) 8.836 7.055 ( -1.819 -5.112 -2.702) 6.061 8.369 ( -9.744 4.266 13.557) 17.232 8.940 ( 9.130 4.492 -4.350) 11.066 11.135 ( -13.820 -8.913 9.022) 18.758 11.856 ( 8.255 -1.706 -11.318) 14.112 13.216 ( -3.578 -7.640 9.466) 12.680 13.299 ( -3.311 -3.965 4.997) 7.187 16.721 ( -6.368 10.823 15.588) 20.017 17.102 ( -3.919 6.706 0.916) 7.821 17.752 ( 2.965 8.225 -0.248) 8.747 18.056 ( -2.475 6.805 -13.293) 15.138 ======================= Grid point 543 (278/366) ======================= q-point: (-0.18 -0.64 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -5.622 -5.750 0.001) 8.042 1.804 ( 2.513 -5.604 0.438) 6.157 2.219 ( -7.978 -0.273 3.572) 8.746 2.724 ( 0.245 6.032 2.873) 6.685 2.895 ( -1.007 -6.341 4.578) 7.886 3.260 ( -1.123 8.965 5.328) 10.489 3.570 ( 5.035 1.468 -6.175) 8.102 4.031 ( 5.106 4.427 -14.566) 16.058 4.559 ( -8.934 0.915 6.458) 11.062 5.016 ( -5.823 -0.955 1.262) 6.034 5.353 ( 5.089 0.999 8.194) 9.698 5.585 ( 3.056 1.484 -7.670) 8.388 7.032 ( -1.114 -2.725 -1.871) 3.489 7.119 ( 5.789 -3.912 5.094) 8.647 8.289 ( -11.749 5.613 9.562) 16.155 8.947 ( 7.856 1.997 -7.260) 10.882 11.167 ( -15.089 -7.802 12.582) 21.139 11.884 ( 7.608 -3.074 -9.199) 12.327 13.327 ( -4.902 -6.274 7.284) 10.791 13.354 ( -5.656 -5.701 3.437) 8.736 16.606 ( -9.677 13.363 12.129) 20.478 16.953 ( -5.921 7.276 -0.226) 9.383 17.653 ( 1.609 8.246 -2.019) 8.641 17.956 ( 9.616 5.886 -1.874) 11.429 ======================= Grid point 544 (279/366) ======================= q-point: (-0.09 -0.64 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -5.828 -7.015 -4.288) 10.078 1.885 ( -1.080 -6.327 -2.683) 6.957 2.196 ( -3.642 -0.645 5.145) 6.337 2.666 ( -4.734 4.669 5.206) 8.445 2.940 ( -3.154 0.377 2.991) 4.363 3.245 ( 5.921 3.305 -0.454) 6.796 3.567 ( 2.230 -1.140 -1.368) 2.854 3.903 ( 2.263 -0.173 -14.833) 15.006 4.517 ( -4.889 3.318 6.323) 8.653 4.933 ( -7.051 3.226 1.027) 7.822 5.484 ( 7.300 2.748 7.840) 11.060 5.578 ( 4.429 1.181 0.093) 4.584 7.005 ( -0.504 -2.692 -7.358) 7.851 7.312 ( 6.269 -3.504 8.359) 11.020 8.136 ( -13.319 6.001 5.657) 15.665 8.943 ( 6.660 -1.063 -10.763) 12.702 11.193 ( -15.678 -4.380 15.579) 22.531 11.936 ( 5.926 -4.375 -6.636) 9.914 13.335 ( -9.397 -3.808 0.564) 10.155 13.407 ( -5.713 -5.425 6.544) 10.241 16.414 ( -10.981 11.844 7.788) 17.931 16.823 ( -2.809 4.430 1.258) 5.394 17.593 ( 4.974 5.874 -0.828) 7.742 18.057 ( 15.317 6.063 5.243) 17.287 ======================= Grid point 550 (280/366) ======================= q-point: ( 0.45 0.45 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -2.142 0.000 -3.209) 3.858 1.571 ( 5.845 -0.000 3.708) 6.922 2.408 ( -6.237 0.000 0.900) 6.302 2.533 ( -6.785 0.000 2.794) 7.338 2.801 ( 4.014 -0.000 -2.389) 4.671 3.416 ( 10.679 -0.000 -6.224) 12.360 3.927 ( 1.088 -0.000 6.635) 6.723 3.951 ( -3.070 0.000 16.079) 16.370 4.641 ( 6.518 -0.000 4.248) 7.780 4.685 ( 0.539 -0.000 -0.179) 0.568 5.677 ( -17.407 0.000 -7.461) 18.939 5.938 ( 1.953 -0.000 -15.012) 15.138 6.886 ( -0.207 0.000 0.138) 0.249 6.891 ( -1.819 0.000 2.022) 2.720 8.319 ( -5.315 0.000 18.988) 19.717 8.917 ( 11.772 -0.000 -1.257) 11.839 11.008 ( -10.609 0.000 8.211) 13.415 11.912 ( 6.299 -0.000 -15.294) 16.540 12.850 ( -4.583 0.000 11.388) 12.275 13.227 ( -1.865 0.000 3.360) 3.843 16.680 ( -0.100 0.000 19.317) 19.317 17.319 ( -2.554 0.000 2.121) 3.320 17.827 ( 7.081 -0.000 -4.168) 8.217 18.759 ( -8.399 0.000 -13.671) 16.045 ======================= Grid point 551 (281/366) ======================= q-point: (-0.45 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -1.267 -1.708 1.390) 2.540 1.664 ( 6.759 0.626 -0.251) 6.793 2.334 ( -9.415 -1.649 1.872) 9.740 2.513 ( -2.121 -2.274 2.231) 3.827 2.833 ( 2.226 1.213 2.091) 3.286 3.476 ( 9.435 0.200 -6.802) 11.633 3.895 ( -1.064 13.106 10.191) 16.636 4.152 ( 1.168 -5.441 12.496) 13.679 4.644 ( 1.921 2.482 -4.019) 5.099 4.793 ( 0.953 -7.175 2.699) 7.724 5.381 ( -16.449 0.724 -6.375) 17.656 5.814 ( 1.866 -0.109 -15.266) 15.380 6.872 ( 1.091 1.607 2.176) 2.917 6.935 ( -1.123 -2.801 2.331) 3.813 8.417 ( -7.308 1.038 18.101) 19.549 9.021 ( 10.327 2.632 -2.397) 10.924 10.967 ( -12.301 -3.182 8.464) 15.267 11.851 ( 8.087 -0.371 -15.940) 17.878 12.938 ( -2.814 -2.276 12.687) 13.193 13.234 ( -2.647 -0.454 3.236) 4.205 16.847 ( -0.540 2.725 18.708) 18.913 17.287 ( -3.582 1.840 1.770) 4.399 17.874 ( 7.034 1.653 -1.976) 7.491 18.487 ( -10.049 2.245 -15.896) 18.940 ======================= Grid point 552 (282/366) ======================= q-point: (-0.36 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -0.869 -3.649 4.433) 5.807 1.711 ( 5.313 0.984 -2.951) 6.156 2.259 ( -10.433 -2.251 2.673) 11.003 2.584 ( 1.930 -4.981 2.969) 6.111 2.855 ( 0.238 2.281 3.134) 3.883 3.505 ( 7.523 0.953 -7.387) 10.586 3.788 ( -3.696 14.077 8.667) 16.940 4.306 ( 5.036 4.039 5.188) 8.282 4.557 ( -7.945 -3.223 -5.366) 10.115 4.882 ( -2.973 -7.528 -0.562) 8.113 5.232 ( -4.491 -1.015 4.828) 6.671 5.697 ( 2.560 0.507 -13.519) 13.769 6.917 ( 2.632 -1.438 2.405) 3.845 6.970 ( -0.586 -1.343 1.934) 2.426 8.457 ( -9.424 2.676 15.688) 18.495 9.055 ( 7.869 4.116 -4.843) 10.115 10.956 ( -13.304 -5.301 11.132) 18.139 11.813 ( 8.570 -1.552 -15.257) 17.568 13.066 ( -2.597 -4.216 11.412) 12.440 13.240 ( -2.840 -1.387 2.964) 4.333 16.944 ( -2.448 6.843 16.142) 17.703 17.225 ( -4.464 3.168 1.829) 5.771 17.915 ( 6.055 4.834 1.182) 7.838 18.178 ( -8.162 3.214 -15.132) 17.491 ======================= Grid point 553 (283/366) ======================= q-point: (-0.27 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -3.660 -3.853 3.584) 6.410 1.728 ( 3.557 -0.674 -3.259) 4.871 2.194 ( -8.723 -1.766 3.699) 9.638 2.722 ( 2.050 -6.691 4.565) 8.356 2.832 ( -1.513 2.929 0.215) 3.304 3.484 ( 3.128 4.760 -4.262) 7.114 3.651 ( -2.496 9.389 2.582) 10.053 4.183 ( -2.769 6.909 -12.602) 14.636 4.543 ( -6.953 -2.944 10.007) 12.536 4.923 ( -1.066 -5.682 -1.965) 6.106 5.335 ( 2.319 -2.505 10.379) 10.926 5.616 ( 4.606 1.279 -9.413) 10.558 6.963 ( -0.408 -2.796 -3.086) 4.184 7.042 ( 4.573 -1.968 5.832) 7.668 8.419 ( -11.436 4.665 11.770) 17.061 9.026 ( 5.599 3.849 -7.601) 10.195 10.991 ( -13.318 -6.063 15.444) 21.276 11.802 ( 7.682 -3.317 -13.716) 16.067 13.181 ( -4.008 -4.916 8.435) 10.554 13.259 ( -2.627 -2.624 2.746) 4.618 16.920 ( -5.542 11.402 12.157) 17.565 17.120 ( -6.629 5.830 0.719) 8.857 17.824 ( -4.822 5.541 -6.143) 9.576 18.069 ( 8.486 3.307 1.023) 9.164 ======================= Grid point 554 (284/366) ======================= q-point: (-0.18 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -8.488 -2.414 0.526) 8.840 1.757 ( 1.658 -3.617 -3.801) 5.503 2.173 ( -5.226 -1.432 5.408) 7.656 2.736 ( -9.685 1.098 2.775) 10.134 2.880 ( 5.060 -4.815 0.196) 6.988 3.389 ( -0.362 8.132 0.601) 8.162 3.573 ( 1.663 2.094 -3.884) 4.716 3.952 ( -5.335 3.446 -9.917) 11.776 4.573 ( -4.713 0.893 7.361) 8.786 4.945 ( -0.327 -2.154 -2.500) 3.316 5.502 ( 1.844 -2.362 10.978) 11.379 5.611 ( 8.534 2.488 -2.605) 9.263 6.946 ( 0.079 -1.855 -5.353) 5.666 7.208 ( 5.931 -4.559 6.162) 9.692 8.292 ( -13.243 6.341 7.224) 16.363 8.958 ( 3.904 2.048 -10.605) 11.484 11.075 ( -12.136 -4.808 19.777) 23.697 11.816 ( 5.911 -5.165 -11.256) 13.723 13.237 ( -6.403 -3.991 4.170) 8.621 13.294 ( -2.604 -3.645 3.360) 5.599 16.758 ( -10.155 15.295 7.281) 19.750 16.956 ( -6.012 6.043 0.191) 8.527 17.693 ( -1.006 2.071 -3.099) 3.860 18.199 ( 12.833 5.231 7.969) 15.986 ======================= Grid point 555 (285/366) ======================= q-point: (-0.09 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -7.327 -4.603 -1.874) 8.854 1.757 ( -3.442 -4.110 -4.455) 6.970 2.194 ( -4.014 -1.625 6.242) 7.597 2.644 ( -6.497 -0.450 1.188) 6.620 2.948 ( -1.467 -0.125 2.667) 3.046 3.338 ( 4.806 2.819 -3.238) 6.445 3.553 ( -1.076 -1.059 0.625) 1.634 3.788 ( -2.003 1.454 -8.321) 8.681 4.546 ( -5.658 1.825 3.705) 7.005 4.914 ( 0.171 2.520 -2.878) 3.829 5.632 ( 0.150 -2.569 8.205) 8.599 5.716 ( 11.079 4.107 6.222) 13.354 6.914 ( 1.231 -1.314 -6.790) 7.024 7.403 ( 5.976 -5.319 5.676) 9.809 8.090 ( -14.588 7.020 3.869) 16.646 8.870 ( 2.494 -0.569 -13.535) 13.775 11.179 ( -10.209 -0.881 21.384) 23.713 11.859 ( 4.095 -6.680 -7.149) 10.607 13.208 ( -7.964 -1.838 1.219) 8.264 13.336 ( -3.832 -3.871 2.949) 6.194 16.482 ( -11.971 13.393 3.564) 18.314 16.861 ( -2.094 3.813 2.528) 5.031 17.668 ( 1.823 0.823 -0.634) 2.098 18.394 ( 14.961 5.323 10.166) 18.855 ======================= Grid point 562 (286/366) ======================= q-point: (-0.45 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 0.140 -0.000 3.666) 3.668 1.731 ( 6.693 -0.000 -4.261) 7.934 2.223 ( -10.555 0.000 3.138) 11.012 2.520 ( 1.252 -0.000 3.264) 3.496 2.882 ( 0.356 -0.000 2.569) 2.593 3.510 ( 8.465 -0.000 -8.990) 12.348 4.128 ( -5.566 0.000 12.367) 13.562 4.161 ( -0.057 0.000 10.790) 10.790 4.626 ( -8.183 0.000 -12.745) 15.146 4.715 ( 3.924 -0.000 1.181) 4.098 5.217 ( -7.139 0.000 4.023) 8.194 5.704 ( 3.456 -0.000 -13.800) 14.227 6.893 ( 0.670 -0.000 0.260) 0.719 6.961 ( 1.117 -0.000 3.965) 4.119 8.491 ( -9.421 0.000 16.677) 19.155 9.110 ( 7.481 -0.000 -5.293) 9.164 10.889 ( -12.997 0.000 11.899) 17.621 11.792 ( 8.600 -0.000 -16.716) 18.798 13.014 ( -2.364 0.000 11.912) 12.145 13.224 ( -2.741 0.000 2.316) 3.588 17.032 ( -0.419 0.000 16.608) 16.613 17.261 ( -5.006 0.000 1.893) 5.352 17.976 ( 8.016 -0.000 1.931) 8.245 18.217 ( -10.716 0.000 -16.083) 19.326 ======================= Grid point 563 (287/366) ======================= q-point: (-0.36 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -0.355 -1.216 4.195) 4.382 1.743 ( 5.145 1.022 -6.530) 8.376 2.147 ( -9.531 -1.485 4.846) 10.795 2.600 ( 2.569 -2.775 4.410) 5.809 2.876 ( -2.563 0.836 -0.541) 2.750 3.512 ( 7.691 0.000 -10.824) 13.278 3.996 ( -7.311 15.769 9.696) 19.903 4.319 ( -14.003 3.161 -12.086) 18.765 4.363 ( -5.846 -11.865 10.937) 17.163 4.819 ( 7.740 -1.862 -1.576) 8.115 5.261 ( 0.351 -2.397 8.330) 8.675 5.643 ( 5.404 0.684 -8.382) 9.997 6.913 ( 0.933 -1.087 -0.176) 1.443 7.015 ( 2.498 -0.442 2.926) 3.873 8.502 ( -11.490 1.840 13.793) 18.046 9.103 ( 4.466 1.888 -8.450) 9.742 10.887 ( -12.156 -2.234 16.825) 20.877 11.739 ( 7.521 -1.486 -16.280) 17.995 13.098 ( -3.294 -1.767 9.642) 10.342 13.217 ( -1.960 -0.822 1.568) 2.641 17.133 ( -1.768 5.462 11.775) 13.100 17.210 ( -5.229 1.148 2.597) 5.950 17.922 ( -9.853 2.268 -13.120) 16.564 18.118 ( 8.630 0.790 6.072) 10.581 ======================= Grid point 564 (288/366) ======================= q-point: (-0.27 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -4.869 -0.085 3.159) 5.805 1.718 ( 2.915 0.174 -6.705) 7.313 2.127 ( -6.139 -2.044 6.337) 9.057 2.705 ( -5.835 -3.441 7.959) 10.452 2.796 ( 0.842 -0.841 -8.546) 8.629 3.489 ( 6.480 0.602 -11.232) 12.981 3.792 ( -7.399 14.572 7.079) 17.810 4.030 ( -13.708 2.463 -4.497) 14.635 4.498 ( -8.617 -8.560 8.764) 14.978 4.893 ( 9.605 -0.316 -7.362) 12.106 5.404 ( 1.469 -4.511 7.963) 9.269 5.674 ( 8.428 2.062 1.385) 8.787 6.921 ( 0.798 -0.229 -2.290) 2.436 7.108 ( 4.321 -3.316 3.204) 6.319 8.427 ( -13.333 4.247 9.557) 16.945 9.019 ( 2.036 2.355 -11.207) 11.631 10.976 ( -9.519 -2.982 22.318) 24.446 11.701 ( 5.681 -3.736 -14.513) 16.027 13.153 ( -5.128 -2.592 6.488) 8.667 13.229 ( -0.992 -1.752 1.203) 2.345 17.085 ( -4.730 6.675 5.094) 9.637 17.116 ( -6.433 9.835 1.992) 11.919 17.702 ( -6.674 -0.909 -7.170) 9.837 18.298 ( 10.705 2.649 10.814) 15.445 ======================= Grid point 565 (289/366) ======================= q-point: (-0.18 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -9.299 1.632 2.630) 9.801 1.682 ( -0.668 -1.772 -6.018) 6.309 2.156 ( -4.693 -1.516 7.206) 8.732 2.610 ( -10.064 -1.796 -1.863) 10.391 2.859 ( 2.409 -5.749 -0.893) 6.297 3.433 ( 3.835 2.737 -9.014) 10.171 3.630 ( -5.611 8.927 5.918) 12.092 3.841 ( -8.750 2.157 -0.198) 9.014 4.529 ( -9.642 -4.280 4.852) 11.611 4.928 ( 9.424 -0.356 -9.986) 13.735 5.540 ( 0.345 -4.450 6.528) 7.908 5.811 ( 10.003 3.396 9.000) 13.878 6.901 ( 1.432 0.419 -3.981) 4.251 7.258 ( 5.336 -6.057 3.054) 8.631 8.261 ( -14.748 6.446 5.799) 17.108 8.888 ( 0.362 1.553 -13.572) 13.665 11.150 ( -5.266 -1.262 25.602) 26.168 11.696 ( 4.041 -6.167 -10.796) 13.073 13.156 ( -6.917 -2.162 3.349) 7.983 13.257 ( -0.861 -2.502 1.132) 2.878 16.848 ( -10.201 14.659 -2.034) 17.974 16.990 ( -4.105 6.919 4.354) 9.148 17.639 ( -2.617 -3.089 -1.407) 4.286 18.512 ( 12.225 3.897 11.971) 17.548 ======================= Grid point 566 (290/366) ======================= q-point: (-0.09 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -7.181 -0.680 1.910) 7.462 1.622 ( -6.474 -2.265 -2.212) 7.206 2.169 ( -7.143 -2.018 7.088) 10.263 2.559 ( -1.282 -4.093 -2.421) 4.926 2.924 ( -2.148 -3.929 1.727) 4.800 3.355 ( 2.613 2.297 -8.250) 8.954 3.528 ( -9.729 2.744 6.084) 11.798 3.770 ( 1.895 2.317 -0.360) 3.014 4.478 ( -10.090 -1.691 2.895) 10.632 4.939 ( 8.626 1.478 -9.163) 12.672 5.653 ( -1.140 -4.429 6.822) 8.213 5.977 ( 8.906 4.236 9.947) 14.007 6.877 ( 2.466 0.528 -4.419) 5.088 7.425 ( 4.691 -7.109 0.445) 8.529 8.044 ( -14.656 7.646 6.022) 17.593 8.737 ( -0.442 -0.123 -15.167) 15.174 11.332 ( -1.643 3.146 20.713) 21.015 11.760 ( 3.495 -7.675 -2.244) 8.727 13.108 ( -8.112 -1.028 1.982) 8.413 13.281 ( -1.496 -2.346 0.457) 2.820 16.526 ( -10.610 13.822 -0.198) 17.426 16.914 ( -2.319 4.526 3.192) 6.004 17.655 ( -0.726 -3.199 0.191) 3.285 18.716 ( 11.764 4.009 9.275) 15.508 ======================= Grid point 574 (291/366) ======================= q-point: (-0.36 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -2.092 0.000 3.222) 3.842 1.730 ( 3.564 -0.000 -8.583) 9.294 2.096 ( -6.798 0.000 7.469) 10.099 2.653 ( -0.757 0.000 6.364) 6.409 2.792 ( -5.061 0.000 -7.800) 9.298 3.492 ( 7.629 -0.000 -12.292) 14.467 4.060 ( -16.041 0.000 -4.101) 16.557 4.166 ( -7.049 0.000 8.164) 10.786 4.194 ( -12.218 0.000 9.510) 15.483 4.908 ( 12.643 -0.000 -8.858) 15.437 5.336 ( 1.564 -0.000 8.065) 8.216 5.700 ( 8.197 -0.000 2.387) 8.538 6.923 ( 1.416 -0.000 -0.002) 1.416 7.063 ( 3.159 -0.000 0.973) 3.306 8.482 ( -13.408 0.000 10.734) 17.175 9.051 ( 1.386 -0.000 -11.611) 11.693 10.939 ( -8.514 0.000 23.060) 24.582 11.652 ( 5.517 -0.000 -15.670) 16.613 13.120 ( -4.840 0.000 7.159) 8.642 13.207 ( -0.498 0.000 0.546) 0.740 17.156 ( -6.078 0.000 0.824) 6.134 17.268 ( -0.257 0.000 8.352) 8.356 17.682 ( -9.860 0.000 -11.761) 15.347 18.329 ( 9.231 -0.000 12.574) 15.598 ======================= Grid point 575 (292/366) ======================= q-point: (-0.27 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -6.535 1.339 3.084) 7.349 1.669 ( 0.045 0.273 -7.541) 7.546 2.124 ( -2.924 -0.872 8.459) 8.993 2.575 ( -14.760 -0.860 -3.371) 15.164 2.742 ( 3.220 -2.865 -2.512) 4.988 3.461 ( 6.993 0.336 -12.447) 14.281 3.877 ( -13.740 0.710 4.756) 14.557 3.946 ( -10.216 15.013 7.890) 19.799 4.308 ( -10.634 -12.993 6.453) 17.987 4.936 ( 13.332 0.709 -15.482) 20.443 5.446 ( 1.240 -2.449 7.117) 7.629 5.871 ( 9.419 1.278 10.473) 14.143 6.931 ( 2.008 1.589 -0.971) 2.738 7.130 ( 3.854 -3.641 0.129) 5.304 8.380 ( -14.857 2.698 7.380) 16.807 8.923 ( -0.816 0.926 -13.856) 13.911 11.126 ( -2.195 -0.536 28.085) 28.176 11.582 ( 3.854 -2.611 -13.243) 14.037 13.115 ( -6.405 -0.972 4.704) 8.006 13.215 ( 0.444 -0.860 -0.046) 0.969 17.056 ( -6.050 3.304 -2.928) 7.489 17.246 ( -3.123 10.688 3.139) 11.569 17.526 ( -6.346 -5.675 -3.873) 9.353 18.573 ( 9.861 1.125 14.418) 17.504 ======================= Grid point 576 (293/366) ======================= q-point: (-0.18 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -9.513 3.082 4.508) 10.969 1.589 ( -4.599 -0.409 -3.011) 5.512 2.156 ( -6.389 1.094 6.395) 9.105 2.428 ( -5.380 -6.012 -4.547) 9.261 2.793 ( -1.359 -5.020 0.401) 5.216 3.408 ( 4.843 1.364 -11.574) 12.621 3.701 ( -16.468 9.539 10.680) 21.823 3.825 ( -2.683 2.903 5.278) 6.594 4.357 ( -10.860 -8.379 4.064) 14.306 4.944 ( 13.917 -0.264 -15.948) 21.168 5.553 ( -0.222 -3.297 6.164) 6.993 6.062 ( 7.272 2.500 11.174) 13.564 6.919 ( 3.024 2.950 -1.801) 4.592 7.243 ( 3.951 -7.196 -1.157) 8.291 8.210 ( -14.962 5.336 6.762) 17.264 8.752 ( -1.829 0.923 -15.178) 15.315 11.398 ( 4.185 2.330 20.996) 21.535 11.586 ( 4.249 -6.069 -1.944) 7.659 13.082 ( -7.153 -0.897 3.597) 8.057 13.234 ( 0.344 -1.445 -0.329) 1.521 16.848 ( -6.457 10.012 -6.876) 13.755 17.085 ( -5.275 9.824 4.280) 11.944 17.539 ( -3.101 -6.237 0.149) 6.967 18.796 ( 9.230 2.279 10.591) 14.232 ======================= Grid point 577 (294/366) ======================= q-point: (-0.09 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -6.989 1.568 5.819) 9.228 1.527 ( -7.178 -0.603 4.997) 8.767 2.099 ( -8.811 -2.768 3.553) 9.895 2.474 ( 1.211 -5.760 -1.438) 6.059 2.852 ( -1.469 -6.191 2.267) 6.754 3.312 ( 0.331 2.580 -10.406) 10.726 3.516 ( -12.601 6.104 8.641) 16.453 3.840 ( 0.357 1.366 4.873) 5.073 4.345 ( -9.619 -4.395 4.251) 11.398 4.973 ( 13.321 -0.086 -13.272) 18.804 5.638 ( -2.314 -3.928 5.467) 7.119 6.183 ( 3.108 2.428 6.804) 7.864 6.899 ( 2.554 2.745 -2.724) 4.634 7.357 ( 2.687 -7.180 -3.311) 8.351 8.052 ( -11.968 6.335 11.312) 17.644 8.576 ( -1.109 0.093 -15.321) 15.361 11.487 ( 2.831 -0.204 -1.343) 3.140 11.840 ( 10.033 -0.462 17.647) 20.304 13.043 ( -6.373 0.629 5.728) 8.592 13.249 ( -0.289 -1.431 -0.383) 1.509 16.564 ( -7.400 13.041 -3.104) 15.312 16.970 ( -4.039 5.678 3.118) 7.633 17.585 ( -2.126 -5.762 0.446) 6.158 18.923 ( 5.051 2.117 2.417) 5.986 ======================= Grid point 586 (295/366) ======================= q-point: (-0.27 -0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -9.049 0.000 4.147) 9.954 1.589 ( -4.455 0.000 -3.008) 5.376 2.197 ( 1.179 -0.000 8.827) 8.905 2.322 ( -14.025 0.000 -8.212) 16.252 2.726 ( -1.506 0.000 0.478) 1.580 3.424 ( 6.239 -0.000 -12.659) 14.113 3.798 ( -14.156 0.000 12.512) 18.893 3.993 ( -15.846 0.000 6.194) 17.014 4.142 ( -4.236 0.000 5.147) 6.666 4.942 ( 14.947 -0.000 -18.657) 23.906 5.510 ( 0.563 -0.000 6.324) 6.349 6.093 ( 6.538 -0.000 11.517) 13.243 6.987 ( 4.665 -0.000 1.367) 4.861 7.122 ( 2.166 -0.000 -3.972) 4.524 8.280 ( -15.095 0.000 7.090) 16.677 8.766 ( -2.340 0.000 -15.234) 15.413 11.445 ( 7.954 -0.000 29.754) 30.799 11.489 ( 3.035 -0.000 -10.641) 11.066 13.070 ( -6.584 0.000 4.318) 7.873 13.215 ( 0.889 -0.000 -0.685) 1.122 16.966 ( -4.490 0.000 -6.914) 8.243 17.337 ( -8.643 0.000 -0.469) 8.656 17.355 ( -0.101 0.000 1.557) 1.560 18.824 ( 7.983 -0.000 11.966) 14.385 ======================= Grid point 587 (296/366) ======================= q-point: (-0.18 -0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -10.298 1.544 6.764) 12.417 1.527 ( -6.870 0.323 6.382) 9.383 2.080 ( -10.038 0.762 -6.114) 11.778 2.338 ( 2.812 -4.122 5.672) 7.555 2.724 ( -3.386 -3.253 2.125) 5.154 3.357 ( 2.840 0.913 -12.380) 12.734 3.708 ( -16.701 7.370 13.039) 22.433 3.859 ( -8.782 0.104 7.127) 11.311 4.199 ( -4.667 -5.924 4.973) 9.034 4.958 ( 16.192 -0.587 -17.692) 23.990 5.573 ( -0.915 -1.347 5.010) 5.268 6.220 ( 0.532 0.673 6.207) 6.266 7.003 ( 2.298 5.613 -3.124) 6.823 7.173 ( 4.526 -7.373 -0.633) 8.674 8.170 ( -13.038 2.761 10.455) 16.939 8.585 ( -1.968 0.336 -15.360) 15.490 11.449 ( 3.116 -1.514 -7.077) 7.879 11.855 ( 15.880 0.761 21.978) 27.125 13.059 ( -3.363 0.475 8.023) 8.712 13.221 ( 0.429 -0.647 -0.617) 0.992 16.812 ( -2.572 5.493 -8.796) 10.684 17.166 ( -6.915 9.198 3.030) 11.900 17.421 ( -2.254 -7.221 -0.099) 7.566 18.960 ( 2.361 0.819 2.325) 3.413 ======================= Grid point 588 (297/366) ======================= q-point: (-0.09 -0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -7.291 0.483 9.980) 12.369 1.554 ( -4.162 1.030 14.866) 15.472 1.948 ( -6.937 -4.538 -3.903) 9.162 2.454 ( 0.707 -1.738 5.137) 5.469 2.789 ( 0.180 -7.079 2.698) 7.578 3.220 ( -3.462 2.272 -10.954) 11.710 3.540 ( -10.708 7.405 8.517) 15.558 3.865 ( -6.918 -2.161 8.428) 11.116 4.261 ( -3.269 -3.663 6.380) 8.051 5.006 ( 15.740 -1.018 -15.047) 21.799 5.611 ( -3.249 -2.121 3.517) 5.237 6.221 ( -4.057 -0.319 0.080) 4.070 6.882 ( -3.385 1.880 -9.076) 9.867 7.339 ( 6.296 -3.185 4.833) 8.552 8.112 ( -9.801 3.816 14.817) 18.171 8.432 ( 1.271 -0.016 -13.977) 14.035 11.460 ( 3.478 -2.460 -4.288) 6.045 12.156 ( 12.501 2.704 5.598) 13.961 13.162 ( 6.257 4.985 16.531) 18.365 13.231 ( 0.181 -0.897 0.405) 1.001 16.607 ( -2.845 10.960 -5.487) 12.583 17.010 ( -6.792 6.862 2.855) 10.068 17.475 ( -2.528 -7.094 -0.691) 7.563 18.888 ( -8.143 -1.209 -9.615) 12.658 ======================= Grid point 598 (298/366) ======================= q-point: (-0.18 -0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -10.206 0.000 10.045) 14.320 1.566 ( -7.221 0.000 18.503) 19.862 1.901 ( -3.780 0.000 -10.064) 10.751 2.440 ( 4.209 -0.000 8.028) 9.065 2.681 ( -3.747 0.000 3.308) 4.998 3.248 ( -2.201 0.000 -12.210) 12.406 3.731 ( -16.741 0.000 18.154) 24.695 3.750 ( -8.673 0.000 2.719) 9.090 4.207 ( 0.121 -0.000 6.600) 6.601 4.989 ( 17.242 -0.000 -17.261) 24.397 5.587 ( -2.210 0.000 3.156) 3.853 6.214 ( -5.723 0.000 -0.399) 5.737 6.912 ( -5.304 0.000 -12.421) 13.507 7.291 ( 9.533 -0.000 9.190) 13.241 8.164 ( -10.711 0.000 14.312) 17.877 8.433 ( 0.839 -0.000 -14.105) 14.130 11.425 ( 3.920 -0.000 -4.388) 5.883 12.188 ( 13.267 -0.000 3.911) 13.832 13.217 ( -0.017 0.000 0.133) 0.134 13.233 ( 12.240 -0.000 18.021) 21.785 16.750 ( 0.993 -0.000 -9.173) 9.226 17.171 ( -8.775 0.000 3.625) 9.494 17.333 ( -0.617 0.000 -2.932) 2.996 18.870 ( -12.478 0.000 -11.036) 16.658 ======================= Grid point 599 (299/366) ======================= q-point: (-0.09 -0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -6.631 -1.256 13.782) 15.346 1.680 ( -10.770 -3.079 22.327) 24.979 1.842 ( 9.120 1.631 -6.077) 11.080 2.531 ( -0.227 2.527 7.376) 7.801 2.728 ( -0.488 -6.778 2.593) 7.274 3.080 ( -4.833 0.943 -10.623) 11.709 3.600 ( -8.726 8.293 8.657) 14.828 3.796 ( -9.448 -6.506 10.506) 15.556 4.289 ( 0.221 -1.263 7.634) 7.741 5.040 ( 16.347 -0.922 -15.995) 22.889 5.568 ( -4.627 -0.475 0.402) 4.668 6.103 ( -8.959 -1.416 -4.515) 10.132 6.729 ( -5.403 0.008 -9.614) 11.028 7.472 ( 4.634 0.223 7.993) 9.241 8.178 ( -9.844 1.542 16.106) 18.939 8.358 ( 7.537 -0.176 -10.897) 13.251 11.457 ( 4.836 -1.219 -1.821) 5.309 12.256 ( 3.498 0.976 -6.523) 7.466 13.227 ( -0.189 -0.396 1.906) 1.956 13.638 ( 27.110 6.263 17.601) 32.924 16.653 ( 2.289 6.801 -7.255) 10.204 17.030 ( -9.045 8.294 2.413) 12.507 17.339 ( -2.094 -7.130 -3.661) 8.284 18.469 ( -30.494 -5.685 -19.656) 36.723 ======================= Grid point 610 (300/366) ======================= q-point: (-0.09 -0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -3.079 0.000 17.040) 17.316 1.685 ( -4.658 0.000 10.863) 11.820 2.042 ( 12.198 -0.000 7.922) 14.544 2.581 ( -7.463 0.000 3.746) 8.351 2.688 ( -0.514 0.000 2.042) 2.106 2.959 ( 0.633 -0.000 -7.540) 7.566 3.689 ( -15.181 0.000 18.293) 23.771 3.708 ( 1.191 -0.000 1.579) 1.978 4.359 ( -0.065 0.000 7.677) 7.677 5.070 ( 15.081 -0.000 -16.451) 22.318 5.486 ( -6.294 0.000 -3.305) 7.109 5.908 ( -11.557 0.000 -6.820) 13.419 6.618 ( -2.279 0.000 -2.243) 3.198 7.558 ( -1.165 0.000 4.132) 4.293 8.213 ( -11.430 0.000 16.038) 19.694 8.413 ( 15.245 -0.000 -6.788) 16.687 11.511 ( 6.049 -0.000 0.558) 6.074 12.196 ( -1.705 0.000 -8.141) 8.318 13.257 ( 0.389 -0.000 4.827) 4.843 14.193 ( 34.162 -0.000 6.998) 34.871 16.672 ( 4.330 -0.000 -6.990) 8.222 17.041 ( -4.849 0.000 1.689) 5.135 17.154 ( -10.379 0.000 -11.106) 15.201 17.731 ( -46.651 0.000 -13.563) 48.582 ======================= Grid point 611 (301/366) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -0.669 0.000 7.641) 7.670 1.994 ( 8.881 -0.000 -1.408) 8.992 2.349 ( -4.196 0.000 1.763) 4.552 2.380 ( -1.510 0.000 -0.760) 1.690 2.782 ( -0.455 0.000 4.787) 4.809 2.881 ( 1.893 -0.000 -4.224) 4.628 3.928 ( 3.842 -0.000 4.443) 5.874 3.946 ( -5.074 0.000 5.099) 7.193 4.492 ( -8.310 0.000 5.006) 9.701 4.717 ( 10.723 -0.000 -15.030) 18.463 5.265 ( 0.139 -0.000 3.296) 3.299 5.363 ( -5.871 0.000 -5.717) 8.195 7.063 ( 5.666 -0.000 14.455) 15.526 7.327 ( -5.170 0.000 -10.178) 11.415 8.430 ( -15.631 0.000 10.522) 18.843 8.618 ( 17.198 -0.000 -7.641) 18.819 11.802 ( 7.689 -0.000 3.342) 8.384 11.855 ( -9.035 0.000 -2.109) 9.278 13.770 ( 2.455 -0.000 18.591) 18.752 14.203 ( -3.555 0.000 -22.173) 22.456 16.310 ( -17.305 0.000 9.690) 19.834 16.494 ( 7.577 -0.000 -7.515) 10.672 17.099 ( 7.538 -0.000 0.677) 7.568 17.134 ( -4.691 0.000 -2.504) 5.318 ======================= Grid point 612 (302/366) ======================= q-point: ( 0.09 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -2.170 2.228 -0.666) 3.181 2.046 ( 6.646 -0.211 -8.647) 10.908 2.325 ( -3.712 1.733 2.085) 4.597 2.379 ( 0.266 -2.369 4.931) 5.477 2.846 ( 1.087 -1.935 3.355) 4.022 2.896 ( 3.985 -4.035 -4.529) 7.258 3.878 ( -3.382 6.314 2.737) 7.668 3.972 ( 4.032 5.345 -1.612) 6.886 4.471 ( -10.724 -5.342 8.048) 14.433 4.723 ( 6.166 -4.511 -10.626) 13.087 5.286 ( -0.891 -0.538 -0.854) 1.346 5.358 ( 3.482 -2.154 7.023) 8.129 7.151 ( -4.202 0.776 -12.564) 13.270 7.265 ( 6.193 0.616 12.333) 13.814 8.328 ( -16.173 -0.660 8.125) 18.111 8.729 ( 15.067 0.576 -9.820) 17.994 11.709 ( -11.155 1.289 -0.420) 11.237 11.915 ( 6.887 1.098 2.346) 7.358 13.866 ( -12.709 3.628 -16.576) 21.200 13.916 ( -5.807 4.018 18.177) 19.501 16.286 ( -9.542 -3.295 11.235) 15.104 16.571 ( 10.018 -2.398 -1.699) 10.440 17.117 ( 2.178 -3.651 -2.167) 4.772 17.274 ( 15.907 -4.632 -0.288) 16.570 ======================= Grid point 613 (303/366) ======================= q-point: ( 0.18 0.00 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -3.629 5.507 -6.025) 8.933 2.002 ( 1.289 0.137 -9.635) 9.722 2.287 ( -1.529 2.033 1.399) 2.903 2.500 ( 2.425 -5.022 5.018) 7.503 2.912 ( 1.881 -3.084 0.410) 3.636 2.969 ( 3.902 -5.238 -3.504) 7.412 3.755 ( 0.346 7.365 -5.869) 9.424 3.920 ( 2.037 8.534 2.269) 9.062 4.491 ( -10.190 -6.255 6.955) 13.833 4.765 ( 0.109 -7.176 -4.645) 8.549 5.327 ( 5.551 -1.448 1.480) 5.925 5.537 ( 4.807 -3.038 11.699) 13.008 6.975 ( -2.247 0.777 -13.187) 13.399 7.429 ( 6.044 1.722 9.038) 11.008 8.213 ( -15.872 -1.945 5.325) 16.854 8.774 ( 11.472 1.625 -11.810) 16.544 11.558 ( -11.793 1.167 2.132) 12.041 11.984 ( 5.618 2.878 1.147) 6.416 13.545 ( -11.833 2.491 -9.460) 15.353 13.874 ( -12.613 7.657 11.727) 18.847 16.323 ( -9.016 -4.610 8.422) 13.171 16.724 ( 7.823 -0.857 3.671) 8.684 17.239 ( 7.758 -7.270 0.232) 10.635 17.595 ( 22.778 -7.363 2.618) 24.081 ======================= Grid point 614 (304/366) ======================= q-point: ( 0.27 0.00 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -4.896 6.094 -6.445) 10.131 1.899 ( -1.640 2.250 -7.839) 8.319 2.275 ( 1.050 0.037 0.036) 1.051 2.615 ( 0.566 -3.536 2.382) 4.301 2.945 ( -1.940 -2.192 -0.623) 2.993 3.070 ( 6.825 -6.813 -3.821) 10.373 3.625 ( 5.114 6.937 -8.693) 12.241 3.856 ( -1.731 7.920 4.594) 9.318 4.512 ( -7.067 -5.407 4.485) 9.965 4.792 ( -4.978 -6.676 -1.550) 8.471 5.487 ( 10.991 -2.779 4.687) 12.268 5.748 ( 3.549 -2.362 13.237) 13.906 6.835 ( 0.257 0.217 -11.366) 11.371 7.542 ( 5.779 2.926 4.965) 8.162 8.096 ( -15.329 -3.428 3.352) 16.061 8.738 ( 7.043 2.679 -13.467) 15.431 11.450 ( -9.928 -0.307 4.667) 10.975 12.006 ( 3.926 4.599 1.164) 6.158 13.338 ( -8.763 0.688 -3.974) 9.647 13.683 ( -13.045 8.003 3.296) 15.656 16.335 ( -9.040 -4.669 5.493) 11.563 16.829 ( 4.198 1.306 3.748) 5.777 17.444 ( 7.885 -7.342 1.385) 10.863 18.039 ( 23.520 -7.627 9.436) 26.465 ======================= Grid point 615 (305/366) ======================= q-point: ( 0.36 0.00 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -4.673 5.396 -4.571) 8.477 1.770 ( -3.344 2.698 -5.347) 6.860 2.316 ( 2.670 -1.433 1.581) 3.418 2.629 ( -1.710 1.003 -1.069) 2.253 2.941 ( -2.260 -3.471 -0.682) 4.198 3.201 ( 5.529 -6.109 -3.048) 8.785 3.550 ( 7.913 4.650 -8.211) 12.315 3.768 ( -5.255 6.937 5.121) 10.098 4.536 ( -4.536 -3.928 2.888) 6.659 4.782 ( -4.995 -4.663 -1.482) 6.993 5.727 ( 12.099 -3.649 5.355) 13.725 5.918 ( 0.721 -0.371 12.863) 12.889 6.765 ( 2.621 -0.653 -7.087) 7.585 7.577 ( 3.208 3.954 -1.724) 5.376 8.014 ( -12.191 -4.809 5.999) 14.413 8.626 ( 2.969 3.254 -14.342) 15.004 11.419 ( -5.886 -2.209 5.404) 8.290 11.997 ( 1.986 5.451 2.928) 6.498 13.221 ( -7.081 -0.268 -0.354) 7.095 13.461 ( -8.472 5.843 -2.959) 10.709 16.330 ( -7.754 -4.223 3.604) 9.537 16.880 ( 2.322 1.496 2.664) 3.837 17.609 ( 5.193 -4.540 0.738) 6.937 18.483 ( 17.510 -5.484 11.667) 21.744 ======================= Grid point 616 (306/366) ======================= q-point: (-0.55 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -2.595 2.986 -1.455) 4.215 1.664 ( -3.077 1.841 -1.821) 4.022 2.387 ( 0.631 -0.451 5.270) 5.327 2.555 ( -1.003 3.404 -3.302) 4.847 2.959 ( -1.400 -3.656 -0.918) 4.022 3.261 ( 0.574 0.221 -0.537) 0.817 3.537 ( 2.102 -1.261 -5.660) 6.168 3.690 ( 0.424 4.076 2.494) 4.798 4.543 ( -5.767 -2.022 3.749) 7.169 4.772 ( 0.966 -2.068 -3.507) 4.184 5.899 ( 3.033 1.167 4.578) 5.614 6.054 ( 3.312 -2.527 7.961) 8.985 6.774 ( 3.561 -1.144 -2.004) 4.244 7.490 ( -1.804 3.088 -6.642) 7.544 8.051 ( -5.566 -4.652 11.217) 13.358 8.467 ( 0.627 3.213 -14.169) 14.542 11.449 ( -1.584 -2.484 2.919) 4.147 11.992 ( 1.148 3.795 4.730) 6.172 13.155 ( -6.726 -0.650 2.936) 7.368 13.300 ( -2.102 2.965 -5.193) 6.339 16.326 ( -5.384 -3.663 2.363) 6.928 16.906 ( 1.015 0.626 1.487) 1.906 17.693 ( 2.126 -1.125 0.309) 2.425 18.792 ( 9.100 -2.695 6.948) 11.762 ======================= Grid point 617 (307/366) ======================= q-point: (-0.45 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 0.599 -0.103 1.848) 1.946 1.626 ( -0.787 0.484 1.910) 2.122 2.383 ( -5.521 6.752 5.626) 10.380 2.521 ( 2.108 -1.239 0.024) 2.446 2.965 ( -0.648 -1.492 -1.981) 2.563 3.211 ( -3.471 6.153 2.893) 7.634 3.492 ( -7.530 -3.839 -0.368) 8.460 3.753 ( 9.064 -2.736 -3.291) 10.024 4.523 ( -6.629 -0.026 5.953) 8.910 4.791 ( 7.770 0.763 -5.638) 9.631 5.888 ( -5.091 4.626 5.088) 8.556 6.164 ( 2.670 -2.745 -1.838) 4.247 6.796 ( -0.083 -0.292 -2.653) 2.671 7.405 ( 0.036 0.482 -0.446) 0.658 8.180 ( -2.846 -4.072 13.600) 14.479 8.304 ( 1.133 2.921 -13.025) 13.397 11.473 ( 0.743 0.001 -0.468) 0.878 12.033 ( 2.395 -0.840 2.222) 3.373 13.151 ( -3.713 -2.304 7.796) 8.937 13.235 ( 2.049 1.107 -3.812) 4.467 16.337 ( -2.482 -3.075 1.352) 4.177 16.919 ( -0.301 -0.630 0.264) 0.747 17.697 ( -0.682 2.170 0.032) 2.274 18.888 ( -0.209 0.259 -1.999) 2.027 ======================= Grid point 618 (308/366) ======================= q-point: (-0.36 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 3.872 -2.231 4.567) 6.389 1.668 ( 1.888 -1.011 4.204) 4.718 2.258 ( -6.817 8.614 6.145) 12.587 2.587 ( 0.258 -2.037 4.615) 5.052 2.945 ( 0.527 0.667 -2.701) 2.831 3.097 ( -6.363 7.891 4.460) 11.074 3.470 ( -6.624 -6.025 1.097) 9.021 3.863 ( 5.379 -5.032 -3.220) 8.039 4.511 ( -3.167 2.024 6.686) 7.670 4.823 ( 10.964 3.253 -6.725) 13.267 5.774 ( -9.227 4.778 1.566) 10.508 6.142 ( -1.392 -0.290 -7.683) 7.814 6.724 ( -3.675 1.013 -3.671) 5.292 7.473 ( 1.729 -2.387 6.287) 6.943 8.191 ( 5.573 2.715 -10.543) 12.230 8.326 ( -3.611 -3.476 14.579) 15.417 11.469 ( 2.447 1.680 -1.191) 3.199 12.082 ( 1.318 -3.494 -3.650) 5.221 13.234 ( 3.330 0.617 -1.273) 3.618 13.309 ( 5.423 -6.900 11.422) 14.404 16.366 ( 0.416 -2.409 0.261) 2.459 16.918 ( -2.083 -1.787 -0.864) 2.877 17.626 ( -3.128 5.175 -0.653) 6.082 18.730 ( -11.082 4.270 -11.212) 16.333 ======================= Grid point 619 (309/366) ======================= q-point: (-0.27 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 5.143 -1.748 7.186) 9.008 1.762 ( 3.435 -1.734 3.749) 5.372 2.167 ( -4.972 5.799 10.484) 12.972 2.638 ( -2.643 -1.514 2.374) 3.862 2.922 ( 1.030 1.975 -0.411) 2.265 2.961 ( -5.863 8.019 4.418) 10.872 3.500 ( -5.314 -7.732 3.024) 9.858 3.937 ( 0.606 -4.749 -1.378) 4.982 4.524 ( 0.849 3.390 5.450) 6.475 4.838 ( 11.506 5.363 -7.939) 14.972 5.588 ( -10.808 3.137 -3.511) 11.789 6.000 ( -5.327 2.182 -10.193) 11.707 6.666 ( -1.962 1.038 3.005) 3.736 7.558 ( -2.559 -3.294 3.212) 5.265 8.190 ( 12.820 2.202 -6.382) 14.488 8.446 ( -6.460 -2.530 14.657) 16.216 11.486 ( 4.774 1.269 -0.069) 4.940 12.077 ( -1.768 -3.651 -5.308) 6.681 13.275 ( 3.941 0.230 1.981) 4.417 13.650 ( 15.436 -11.268 7.120) 20.395 16.408 ( 2.833 -1.771 -1.247) 3.566 16.891 ( -4.733 -2.590 -1.907) 5.722 17.483 ( -4.996 7.747 -2.086) 9.451 18.304 ( -22.570 9.411 -15.584) 28.997 ======================= Grid point 620 (310/366) ======================= q-point: (-0.18 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 4.287 -0.535 10.439) 11.298 1.840 ( 2.881 1.292 3.976) 5.077 2.218 ( 0.629 -1.550 9.253) 9.403 2.579 ( -6.983 0.737 -2.579) 7.480 2.843 ( -5.938 5.806 5.726) 10.087 2.931 ( 3.606 3.527 0.194) 5.048 3.596 ( -3.228 -9.663 5.965) 11.806 3.971 ( -1.922 -2.605 0.858) 3.349 4.544 ( 0.979 3.285 4.334) 5.525 4.813 ( 11.187 6.527 -10.834) 16.886 5.397 ( -8.673 0.897 -4.740) 9.924 5.778 ( -8.016 3.381 -10.647) 13.749 6.716 ( 1.153 0.477 9.952) 10.030 7.549 ( -5.025 -2.546 -2.229) 6.058 8.307 ( 16.855 1.078 -4.280) 17.423 8.507 ( -10.210 -1.299 13.877) 17.277 11.556 ( 6.786 0.191 1.678) 6.993 12.035 ( -4.196 -3.040 -4.151) 6.639 13.372 ( 5.139 -0.636 6.694) 8.463 14.040 ( 19.455 -12.071 -3.208) 23.119 16.449 ( 3.875 -1.499 -3.328) 5.323 16.813 ( -9.811 -2.163 -3.817) 10.747 17.279 ( -5.698 9.749 -3.716) 11.887 17.717 ( -27.092 11.745 -9.894) 31.142 ======================= Grid point 621 (311/366) ======================= q-point: (-0.09 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 2.268 -0.490 12.243) 12.461 1.902 ( 5.422 1.817 3.248) 6.577 2.336 ( 1.375 -4.034 2.487) 4.934 2.445 ( -6.734 2.057 -1.817) 7.272 2.780 ( -3.552 3.159 4.918) 6.840 2.913 ( 1.894 3.164 -2.026) 4.207 3.765 ( -0.194 -9.402 7.670) 12.135 3.972 ( -3.007 0.777 3.333) 4.555 4.540 ( -3.803 2.220 4.760) 6.485 4.754 ( 12.087 4.787 -15.153) 19.966 5.281 ( -4.164 -0.026 -1.658) 4.482 5.541 ( -8.443 2.472 -8.963) 12.558 6.863 ( 3.919 -0.014 13.847) 14.391 7.466 ( -5.359 -1.241 -6.528) 8.537 8.467 ( 17.775 0.185 -5.441) 18.590 8.497 ( -13.573 -0.274 12.429) 18.406 11.672 ( 7.734 -0.397 3.067) 8.330 11.965 ( -6.501 -1.661 -3.034) 7.364 13.548 ( 5.752 -1.333 12.966) 14.247 14.288 ( 13.031 -7.903 -15.711) 21.888 16.460 ( -2.865 -2.505 -2.948) 4.814 16.586 ( -14.253 4.730 -5.534) 16.004 17.092 ( -1.290 6.594 -0.241) 6.724 17.295 ( -14.377 5.343 -2.224) 15.499 ======================= Grid point 623 (312/366) ======================= q-point: ( 0.09 0.09 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 1.209 -0.000 -4.744) 4.896 1.955 ( 0.462 -0.000 -15.105) 15.112 2.337 ( -3.576 0.000 1.243) 3.786 2.417 ( 2.042 -0.000 7.684) 7.950 2.884 ( 6.382 -0.000 -4.940) 8.071 2.892 ( 2.763 -0.000 1.086) 2.969 3.865 ( -1.843 0.000 -3.854) 4.272 4.064 ( 4.538 -0.000 -0.928) 4.632 4.379 ( -13.621 0.000 11.694) 17.952 4.654 ( 1.622 -0.000 -7.069) 7.253 5.310 ( 5.635 -0.000 1.259) 5.773 5.495 ( 4.966 -0.000 11.977) 12.965 6.984 ( -2.305 0.000 -14.101) 14.288 7.450 ( 5.723 -0.000 9.714) 11.275 8.190 ( -16.633 0.000 5.870) 17.638 8.798 ( 12.547 -0.000 -12.091) 17.424 11.572 ( -12.507 0.000 0.995) 12.547 12.019 ( 5.424 -0.000 1.945) 5.763 13.576 ( -13.809 0.000 -11.112) 17.725 13.975 ( -15.430 0.000 14.380) 21.091 16.268 ( -7.852 0.000 9.791) 12.550 16.722 ( 11.537 -0.000 6.285) 13.138 17.138 ( 8.284 -0.000 -2.378) 8.618 17.497 ( 24.731 -0.000 1.472) 24.775 ======================= Grid point 624 (313/366) ======================= q-point: ( 0.18 0.09 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -1.095 5.717 -11.621) 12.997 1.891 ( 0.609 -2.623 -9.218) 9.603 2.283 ( -1.572 0.375 -3.106) 3.501 2.542 ( 1.486 -1.762 9.036) 9.325 2.915 ( 2.815 -0.425 -3.224) 4.301 2.943 ( 7.038 -3.004 -5.260) 9.286 3.785 ( 1.384 4.705 -4.896) 6.930 4.057 ( 1.937 6.834 0.760) 7.144 4.365 ( -11.863 -5.410 9.958) 16.406 4.630 ( -2.418 -4.964 -3.727) 6.661 5.442 ( 10.197 -0.893 4.309) 11.106 5.694 ( 5.021 -1.486 13.649) 14.619 6.837 ( 0.175 -0.011 -12.923) 12.925 7.587 ( 5.026 0.861 5.891) 7.791 8.043 ( -16.241 -1.011 4.244) 16.817 8.795 ( 8.760 1.419 -13.755) 16.369 11.440 ( -12.144 -0.336 3.267) 12.580 12.081 ( 3.733 1.545 1.350) 4.260 13.346 ( -10.632 0.098 -5.159) 11.818 13.833 ( -18.947 3.500 6.124) 20.217 16.270 ( -7.787 -1.064 8.779) 11.783 16.899 ( 7.306 3.261 7.986) 11.304 17.272 ( 10.719 -5.357 -1.335) 12.057 17.898 ( 29.299 -3.298 7.133) 30.334 ======================= Grid point 625 (314/366) ======================= q-point: ( 0.27 0.09 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -1.569 5.846 -8.959) 10.812 1.808 ( -2.598 0.450 -7.861) 8.291 2.265 ( 3.648 -2.345 -4.948) 6.580 2.639 ( -1.046 0.294 7.605) 7.682 2.894 ( 0.764 -0.613 -5.400) 5.488 3.039 ( 8.270 -5.710 -6.036) 11.723 3.707 ( 4.286 6.796 -3.500) 8.764 3.973 ( -2.924 8.849 3.706) 10.030 4.403 ( -6.939 -6.524 5.777) 11.139 4.635 ( -4.123 -6.503 -1.623) 7.869 5.649 ( 12.413 -2.342 4.691) 13.475 5.895 ( 2.902 -1.266 13.442) 13.810 6.750 ( 2.588 -0.512 -8.695) 9.087 7.641 ( 1.149 1.409 -2.483) 3.077 7.933 ( -12.026 -1.894 8.293) 14.730 8.712 ( 4.804 3.106 -14.457) 15.548 11.361 ( -9.547 -2.119 5.168) 11.061 12.100 ( 1.701 2.835 1.333) 3.565 13.209 ( -8.080 -0.591 -0.893) 8.151 13.590 ( -15.345 4.206 -1.179) 15.954 16.275 ( -6.728 -0.707 8.414) 10.796 16.975 ( 4.906 5.678 4.872) 8.947 17.466 ( 8.832 -6.704 -0.556) 11.102 18.370 ( 24.080 -3.485 11.395) 26.868 ======================= Grid point 626 (315/366) ======================= q-point: ( 0.36 0.09 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -0.608 5.913 -5.342) 7.992 1.692 ( -3.739 0.579 -5.140) 6.382 2.326 ( 6.045 -3.836 -3.384) 7.918 2.645 ( -1.539 3.485 1.995) 4.300 2.875 ( -0.615 -2.441 -1.869) 3.135 3.150 ( 6.753 -6.543 -6.217) 11.272 3.645 ( 1.514 7.586 0.442) 7.748 3.859 ( -1.519 8.565 1.952) 8.915 4.449 ( -6.917 -5.488 5.209) 10.252 4.667 ( 0.052 -5.925 -1.707) 6.167 5.859 ( 10.968 -3.018 0.383) 11.382 6.040 ( -0.378 0.282 11.805) 11.814 6.749 ( 4.010 -0.952 -2.159) 4.652 7.525 ( -6.567 0.149 -9.082) 11.209 7.978 ( -3.206 -1.497 13.482) 13.939 8.568 ( 2.262 4.466 -13.778) 14.659 11.360 ( -5.633 -4.140 5.337) 8.795 12.081 ( -0.546 3.090 0.995) 3.292 13.134 ( -7.342 -1.002 2.331) 7.768 13.371 ( -7.712 2.675 -4.913) 9.527 16.288 ( -4.780 0.224 8.377) 9.647 16.991 ( 3.759 5.838 2.526) 7.388 17.620 ( 5.875 -4.712 -0.974) 7.594 18.740 ( 14.170 -1.492 8.885) 16.791 ======================= Grid point 627 (316/366) ======================= q-point: ( 0.45 0.09 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 1.729 4.301 -1.486) 4.868 1.623 ( -2.263 -0.692 -1.282) 2.691 2.422 ( 5.064 -3.215 -0.578) 6.026 2.573 ( -0.521 5.022 -2.649) 5.702 2.895 ( -3.042 -3.265 2.486) 5.108 3.234 ( 4.213 -4.715 -4.801) 7.938 3.544 ( -6.977 8.013 5.306) 11.876 3.795 ( 6.532 5.655 -3.050) 9.162 4.474 ( -7.277 -3.885 6.738) 10.651 4.746 ( 5.841 -4.176 -2.754) 7.691 5.958 ( 3.130 0.117 -2.376) 3.932 6.115 ( -0.638 -0.295 5.047) 5.096 6.794 ( 1.701 0.032 -0.026) 1.702 7.377 ( -5.701 -2.386 -5.114) 8.022 8.113 ( -0.849 -1.416 14.753) 14.845 8.409 ( 2.577 5.294 -11.649) 13.052 11.412 ( -2.202 -4.529 3.277) 6.008 12.038 ( -1.405 1.094 -1.505) 2.332 13.102 ( -6.676 -1.763 6.117) 9.225 13.256 ( -0.687 0.680 -4.182) 4.292 16.316 ( -2.362 1.197 8.345) 8.755 16.979 ( 2.927 5.170 0.699) 5.982 17.702 ( 2.917 -1.748 -1.323) 3.649 18.906 ( 4.302 1.099 1.126) 4.580 ======================= Grid point 628 (317/366) ======================= q-point: (-0.45 0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 4.721 1.411 1.948) 5.299 1.631 ( -0.165 -2.146 1.973) 2.920 2.451 ( -0.650 6.398 -1.801) 6.678 2.527 ( 2.905 -2.485 0.641) 3.876 2.919 ( -4.722 -2.324 5.200) 7.399 3.266 ( 0.359 1.102 -0.383) 1.221 3.410 ( -7.164 4.723 3.422) 9.238 3.806 ( 7.495 1.333 -4.640) 8.916 4.511 ( -3.355 -1.990 7.281) 8.260 4.844 ( 8.589 -1.665 -3.244) 9.331 5.891 ( -6.236 4.041 -1.626) 7.607 6.118 ( -0.379 -1.186 -5.380) 5.523 6.756 ( -2.685 1.617 -2.597) 4.071 7.376 ( -2.501 -5.338 3.255) 6.734 8.259 ( -0.585 -0.857 11.450) 11.497 8.300 ( 5.437 5.046 -4.579) 8.717 11.463 ( -0.143 -2.632 0.705) 2.729 11.999 ( -0.936 -2.673 -5.587) 6.264 13.159 ( -2.734 -4.991 10.275) 11.746 13.240 ( 2.315 -0.136 -1.328) 2.673 16.362 ( -0.003 2.048 8.141) 8.394 16.951 ( 2.103 4.266 -0.864) 4.835 17.708 ( 0.112 1.467 -1.606) 2.178 18.836 ( -4.690 4.323 -8.105) 10.314 ======================= Grid point 629 (318/366) ======================= q-point: (-0.36 0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 7.455 -1.411 4.169) 8.657 1.699 ( 0.745 -3.288 3.940) 5.185 2.339 ( -0.946 7.051 -0.363) 7.124 2.599 ( 0.339 -1.689 2.753) 3.247 2.943 ( -3.941 -0.586 7.785) 8.745 3.181 ( -5.528 9.079 4.448) 11.522 3.364 ( -1.627 -2.815 -0.952) 3.388 3.841 ( 4.797 -1.777 -4.599) 6.880 4.575 ( 1.394 0.314 5.641) 5.819 4.924 ( 8.980 1.208 -3.423) 9.686 5.691 ( -11.419 4.918 -4.739) 13.305 6.030 ( -2.726 0.127 -10.005) 10.371 6.698 ( -1.785 1.552 2.246) 3.262 7.443 ( -4.461 -6.006 2.721) 7.961 8.276 ( 11.595 4.749 -4.423) 13.287 8.398 ( -3.677 -0.947 14.771) 15.251 11.495 ( 2.021 -1.072 -0.162) 2.294 11.967 ( -2.035 -4.913 -7.272) 9.009 13.270 ( 2.628 -0.921 1.303) 3.075 13.372 ( 4.293 -10.068 10.293) 15.025 16.420 ( 1.555 2.838 7.645) 8.302 16.907 ( 0.903 3.633 -2.081) 4.283 17.638 ( -2.399 4.703 -2.223) 5.728 18.533 ( -12.990 8.889 -14.853) 21.642 ======================= Grid point 630 (319/366) ======================= q-point: (-0.27 0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 8.299 -2.331 5.421) 10.183 1.798 ( 1.208 -3.998 4.438) 6.094 2.269 ( 0.496 5.060 2.514) 5.672 2.600 ( -5.173 0.830 1.812) 5.544 2.994 ( -0.757 2.303 9.029) 9.348 3.042 ( -3.506 8.438 2.507) 9.475 3.395 ( -2.392 -5.608 2.386) 6.548 3.874 ( 3.147 -3.557 -5.234) 7.068 4.632 ( 3.119 2.745 3.690) 5.557 4.956 ( 7.909 4.364 -4.828) 10.242 5.444 ( -11.183 3.044 -5.021) 12.631 5.859 ( -5.656 2.550 -11.041) 12.665 6.731 ( 1.064 0.713 8.361) 8.459 7.454 ( -5.913 -5.175 -1.398) 7.981 8.358 ( 14.852 3.236 -2.935) 15.482 8.479 ( -7.326 -0.508 13.708) 15.551 11.549 ( 4.561 -1.153 0.586) 4.741 11.930 ( -4.010 -5.277 -5.542) 8.639 13.347 ( 3.209 -1.467 4.842) 5.991 13.685 ( 8.767 -15.136 3.434) 17.826 16.470 ( 1.190 3.546 6.815) 7.773 16.838 ( -1.009 3.857 -3.090) 5.044 17.496 ( -3.795 7.674 -3.262) 9.161 18.045 ( -18.102 13.697 -15.350) 27.403 ======================= Grid point 631 (320/366) ======================= q-point: (-0.18 0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 5.943 -1.459 7.045) 9.332 1.902 ( 2.977 -3.252 2.031) 4.855 2.277 ( 1.734 1.161 3.580) 4.144 2.500 ( -8.323 2.466 0.385) 8.689 2.924 ( -3.732 8.107 5.562) 10.515 3.027 ( 3.450 5.019 -0.214) 6.094 3.511 ( -2.743 -9.604 9.034) 13.467 3.903 ( 2.706 -4.676 -6.594) 8.524 4.645 ( -0.248 4.935 4.534) 6.707 4.906 ( 6.853 6.348 -9.992) 13.679 5.290 ( -5.999 0.952 0.774) 6.123 5.633 ( -6.725 4.208 -10.420) 13.096 6.861 ( 3.763 -0.239 12.352) 12.915 7.404 ( -5.707 -3.768 -5.510) 8.782 8.482 ( 10.981 1.020 -1.404) 11.117 8.495 ( -6.354 0.614 9.040) 11.066 11.647 ( 6.110 -1.878 2.034) 6.708 11.888 ( -5.751 -4.425 -3.426) 8.024 13.489 ( 3.710 -3.302 9.969) 11.137 13.968 ( 6.876 -16.111 -7.277) 18.968 16.479 ( -3.846 4.155 6.919) 8.940 16.715 ( -2.652 6.169 -5.318) 8.566 17.315 ( -1.571 9.628 -3.398) 10.330 17.542 ( -13.977 13.749 -8.652) 21.430 ======================= Grid point 632 (321/366) ======================= q-point: (-0.09 0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -1.239 -1.200 6.647) 6.867 1.988 ( 7.933 -1.640 -3.293) 8.744 2.333 ( 1.778 -0.016 3.928) 4.312 2.382 ( -6.651 0.838 -0.312) 6.711 2.856 ( -1.936 5.787 5.489) 8.208 2.967 ( 2.980 6.104 -4.619) 8.214 3.714 ( -2.054 -10.759 11.182) 15.653 3.927 ( 2.620 -4.915 -7.230) 9.127 4.586 ( -7.328 6.269 7.132) 11.994 4.810 ( 8.883 5.825 -13.217) 16.957 5.272 ( -1.743 0.932 6.023) 6.339 5.420 ( -4.201 3.949 -7.628) 9.562 7.053 ( 5.552 -0.803 13.647) 14.755 7.301 ( -5.118 -2.111 -9.491) 10.988 8.437 ( -14.399 0.696 10.168) 17.641 8.616 ( 16.023 -0.010 -7.127) 17.537 11.769 ( 2.437 -2.941 3.370) 5.093 11.830 ( -3.816 -1.897 -2.515) 4.948 13.704 ( 1.734 -5.026 15.782) 16.653 14.052 ( -3.019 -11.166 -16.509) 20.158 16.386 ( -13.847 5.971 10.656) 18.465 16.575 ( 5.364 6.203 -7.140) 10.873 17.201 ( 1.670 7.193 -0.064) 7.384 17.248 ( 0.216 9.132 -4.358) 10.121 ======================= Grid point 635 (322/366) ======================= q-point: ( 0.18 0.18 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -2.030 0.000 -11.696) 11.871 1.807 ( 0.004 -0.000 -8.038) 8.038 2.230 ( 2.700 -0.000 -6.921) 7.429 2.646 ( -0.725 0.000 11.673) 11.695 2.890 ( 2.611 -0.000 -7.882) 8.304 2.963 ( 8.850 -0.000 -7.336) 11.495 3.810 ( 2.683 -0.000 -0.966) 2.851 4.133 ( 4.054 -0.000 -3.540) 5.382 4.274 ( -15.462 0.000 14.483) 21.185 4.533 ( -1.845 0.000 -3.627) 4.069 5.619 ( 12.194 -0.000 4.389) 12.960 5.876 ( 4.044 -0.000 13.746) 14.328 6.743 ( 2.550 -0.000 -9.226) 9.571 7.656 ( 0.112 -0.000 -2.981) 2.983 7.911 ( -11.708 0.000 9.410) 15.021 8.753 ( 5.478 -0.000 -14.506) 15.506 11.333 ( -11.029 0.000 4.950) 12.089 12.135 ( 1.646 -0.000 0.821) 1.840 13.200 ( -8.408 0.000 -1.096) 8.479 13.645 ( -18.329 0.000 -0.402) 18.334 16.270 ( -6.467 0.000 10.384) 12.234 17.082 ( 4.270 -0.000 8.539) 9.547 17.348 ( 11.752 -0.000 -3.668) 12.311 18.325 ( 27.236 -0.000 11.128) 29.422 ======================= Grid point 636 (323/366) ======================= q-point: ( 0.27 0.18 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -1.478 2.324 -7.067) 7.585 1.705 ( -3.232 0.525 -7.440) 8.129 2.242 ( 7.983 -2.182 -6.954) 10.809 2.713 ( -2.153 1.781 6.557) 7.128 2.843 ( 1.448 -0.445 -5.807) 6.001 3.018 ( 9.139 -3.393 -8.376) 12.853 3.824 ( 2.052 5.360 3.672) 6.813 4.065 ( -2.047 7.368 0.290) 7.652 4.292 ( -9.020 -6.565 8.479) 14.012 4.524 ( 0.983 -4.353 -2.583) 5.157 5.801 ( 11.936 -1.341 -0.315) 12.015 6.041 ( 1.403 -0.121 12.348) 12.428 6.731 ( 4.103 -0.418 -2.073) 4.616 7.520 ( -8.920 -0.240 -10.038) 13.430 7.961 ( -2.178 -0.190 14.363) 14.529 8.655 ( 3.192 2.069 -13.574) 14.097 11.278 ( -8.389 -1.983 6.054) 10.534 12.134 ( -0.968 1.105 -0.736) 1.643 13.113 ( -7.423 -0.503 2.000) 7.704 13.421 ( -11.869 1.149 -4.525) 12.755 16.308 ( -4.563 0.769 11.995) 12.857 17.153 ( 3.506 5.956 5.129) 8.606 17.484 ( 9.593 -5.225 -3.322) 11.417 18.717 ( 17.885 -0.425 10.023) 20.507 ======================= Grid point 637 (324/366) ======================= q-point: ( 0.36 0.18 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -0.140 3.535 -2.830) 4.530 1.602 ( -3.088 -0.660 -4.619) 5.595 2.329 ( 8.797 -3.473 -4.235) 10.363 2.674 ( 2.008 2.878 -6.882) 7.725 2.840 ( -4.442 -0.965 6.187) 7.677 3.098 ( 8.304 -5.114 -8.339) 12.832 3.776 ( -5.176 9.729 8.674) 14.024 3.968 ( 3.014 7.114 -1.763) 7.925 4.347 ( -6.850 -5.966 7.278) 11.639 4.608 ( 5.106 -6.326 -2.035) 8.380 5.917 ( 9.171 -2.141 -7.246) 11.882 6.136 ( -2.413 1.067 9.122) 9.496 6.795 ( 3.095 0.023 3.253) 4.490 7.316 ( -9.152 -2.109 -9.364) 13.262 8.098 ( -0.130 -0.093 15.595) 15.595 8.534 ( 3.470 4.229 -10.721) 12.036 11.292 ( -5.346 -4.356 5.736) 8.970 12.069 ( -3.032 1.120 -4.402) 5.461 13.066 ( -7.414 -1.116 4.880) 8.945 13.270 ( -3.646 0.426 -4.368) 5.706 16.369 ( -2.293 2.365 13.082) 13.491 17.145 ( 3.545 7.595 2.191) 8.663 17.617 ( 6.486 -4.844 -2.982) 8.627 18.936 ( 7.353 1.146 3.535) 8.239 ======================= Grid point 638 (325/366) ======================= q-point: ( 0.45 0.18 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 1.919 2.860 0.634) 3.502 1.568 ( -1.531 -2.663 -0.979) 3.224 2.445 ( 6.918 -3.185 -0.865) 7.665 2.582 ( 3.267 3.277 -10.503) 11.478 2.865 ( -7.812 -1.422 11.366) 13.865 3.177 ( 7.223 -5.101 -8.056) 11.962 3.642 ( -8.098 11.093 8.296) 16.046 3.923 ( 5.482 7.056 -1.368) 9.039 4.422 ( -2.696 -4.846 7.086) 8.998 4.746 ( 7.248 -5.992 -1.449) 9.515 5.931 ( 3.170 -0.827 -9.680) 10.219 6.122 ( -5.430 1.616 1.181) 5.787 6.805 ( -1.608 2.460 -0.568) 2.993 7.229 ( -5.052 -6.202 -0.398) 8.009 8.249 ( -0.437 0.203 15.941) 15.948 8.447 ( 6.624 5.947 -6.294) 10.902 11.352 ( -3.271 -5.534 4.128) 7.639 11.962 ( -2.485 -0.529 -8.919) 9.274 13.065 ( -6.331 -2.782 8.263) 10.775 13.231 ( 1.172 -0.491 -1.543) 1.999 16.445 ( -0.023 4.012 13.544) 14.126 17.105 ( 3.514 7.678 0.146) 8.445 17.696 ( 3.617 -2.406 -2.878) 5.210 18.935 ( -1.191 3.537 -5.249) 6.440 ======================= Grid point 639 (326/366) ======================= q-point: ( 0.55 0.18 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 4.000 0.362 3.424) 5.278 1.604 ( -0.437 -4.221 1.529) 4.510 2.478 ( 4.463 3.945 -10.294) 11.893 2.552 ( 2.500 -2.210 2.991) 4.481 2.905 ( -8.862 -1.760 14.196) 16.827 3.236 ( 5.617 -3.454 -7.199) 9.762 3.487 ( -6.156 10.932 6.209) 13.998 3.894 ( 4.953 6.043 -1.406) 7.939 4.534 ( 1.931 -3.557 5.643) 6.944 4.890 ( 7.512 -3.976 -0.727) 8.531 5.803 ( -7.893 3.563 -7.968) 11.768 6.016 ( -3.215 -0.760 -9.149) 9.728 6.745 ( -1.582 2.440 1.317) 3.193 7.276 ( -5.117 -7.375 2.329) 9.274 8.377 ( 0.640 1.777 11.766) 11.917 8.440 ( 7.970 5.530 1.243) 9.780 11.417 ( -2.102 -5.124 2.537) 6.092 11.864 ( -1.055 -3.030 -11.034) 11.491 13.151 ( -2.882 -6.248 9.639) 11.843 13.264 ( 2.086 -1.135 1.726) 2.935 16.529 ( 1.632 5.432 13.490) 14.634 17.049 ( 3.498 7.383 -1.432) 8.295 17.706 ( 0.917 0.817 -2.758) 3.019 18.727 ( -7.625 6.795 -12.853) 16.418 ======================= Grid point 640 (327/366) ======================= q-point: (-0.36 0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 5.391 -2.685 4.862) 7.740 1.681 ( -0.278 -5.192 3.171) 6.090 2.400 ( 5.742 4.597 -7.299) 10.363 2.605 ( -3.406 -0.717 4.035) 5.329 2.977 ( -6.683 -2.429 15.284) 16.857 3.238 ( 0.530 3.125 -2.220) 3.870 3.373 ( -0.244 6.264 2.499) 6.749 3.866 ( 4.792 3.761 -4.436) 7.536 4.650 ( 4.308 -1.449 3.460) 5.712 5.002 ( 6.587 -0.922 -0.857) 6.706 5.540 ( -12.376 4.464 -7.139) 14.969 5.885 ( -3.673 -0.448 -11.432) 12.016 6.753 ( 0.906 1.211 5.948) 6.137 7.304 ( -6.194 -6.772 -0.290) 9.182 8.458 ( 6.725 3.950 4.385) 8.947 8.502 ( 1.419 3.231 8.433) 9.142 11.481 ( -0.573 -4.650 2.099) 5.134 11.800 ( -1.067 -4.743 -9.521) 10.690 13.291 ( 1.200 -4.302 4.153) 6.099 13.373 ( 1.484 -8.411 7.110) 11.113 16.605 ( 1.613 6.771 12.981) 14.730 16.981 ( 3.277 7.343 -2.557) 8.438 17.646 ( -1.163 4.398 -2.662) 5.271 18.352 ( -11.826 10.916 -16.485) 23.038 ======================= Grid point 641 (328/366) ======================= q-point: (-0.27 0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 5.355 -4.720 4.918) 8.668 1.777 ( -0.494 -5.769 3.226) 6.628 2.370 ( 7.361 4.817 -3.326) 9.405 2.553 ( -8.985 1.384 2.156) 9.343 3.079 ( -3.311 -1.427 9.633) 10.286 3.155 ( -1.676 8.948 5.695) 10.738 3.374 ( 1.759 0.002 2.761) 3.274 3.831 ( 5.211 0.345 -9.928) 11.218 4.728 ( 2.456 1.359 3.386) 4.398 5.027 ( 4.109 2.951 -6.745) 8.431 5.329 ( -8.088 2.121 1.514) 8.497 5.712 ( -5.122 1.833 -11.082) 12.345 6.851 ( 3.499 -0.441 9.447) 10.084 7.286 ( -5.917 -5.631 -3.825) 9.019 8.513 ( -6.145 2.012 10.996) 12.756 8.556 ( 11.269 4.098 -1.890) 12.139 11.564 ( 0.183 -5.154 3.129) 6.032 11.768 ( -1.124 -4.881 -6.736) 8.394 13.398 ( 1.461 -3.950 6.083) 7.399 13.587 ( 1.835 -13.707 1.514) 13.912 16.639 ( -1.613 8.176 12.139) 14.724 16.894 ( 2.607 8.193 -3.713) 9.365 17.530 ( -1.085 7.724 -1.862) 8.019 17.895 ( -11.151 13.872 -14.612) 23.028 ======================= Grid point 642 (329/366) ======================= q-point: (-0.18 0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -3.416 -4.394 4.718) 7.296 1.884 ( 5.758 -6.122 -1.099) 8.476 2.397 ( 7.987 4.521 1.258) 9.263 2.420 ( -9.477 1.985 -0.095) 9.683 3.038 ( -3.804 7.704 5.465) 10.182 3.127 ( 1.888 5.849 -0.176) 6.148 3.486 ( -1.321 -6.100 11.662) 13.228 3.800 ( 5.962 -3.681 -14.273) 15.900 4.725 ( -6.229 4.320 7.145) 10.417 4.937 ( 6.736 3.996 -12.058) 14.378 5.312 ( -2.736 2.051 9.843) 10.420 5.520 ( -3.142 3.585 -9.615) 10.731 7.022 ( 5.303 -1.752 11.255) 12.565 7.224 ( -4.929 -4.093 -7.674) 9.997 8.473 ( -11.580 2.476 9.649) 15.275 8.634 ( 13.194 1.833 -5.939) 14.585 11.654 ( -5.627 -6.278 5.175) 9.892 11.768 ( 4.119 -3.151 -5.315) 7.426 13.553 ( 0.399 -6.672 9.938) 11.976 13.736 ( -2.042 -13.151 -6.407) 14.770 16.584 ( -8.872 9.684 12.005) 17.794 16.771 ( 3.412 9.264 -5.700) 11.400 17.414 ( -0.975 9.568 1.467) 9.728 17.529 ( 0.627 12.574 -9.527) 15.788 ======================= Grid point 643 (330/366) ======================= q-point: (-0.09 0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -6.534 -4.140 -0.589) 7.758 2.001 ( 5.542 -4.406 -4.650) 8.470 2.307 ( -5.629 0.357 0.004) 5.641 2.462 ( 6.271 4.491 4.257) 8.810 2.955 ( -2.660 6.454 4.185) 8.139 3.044 ( 2.912 7.142 -4.290) 8.826 3.668 ( -2.794 -8.760 8.874) 12.778 3.805 ( 6.259 -6.630 -11.490) 14.668 4.624 ( -10.359 5.702 7.174) 13.831 4.870 ( 6.314 5.898 -8.189) 11.904 5.323 ( -2.832 2.453 2.813) 4.685 5.437 ( 4.384 3.660 3.701) 6.805 7.113 ( -4.141 -2.350 -10.395) 11.434 7.232 ( 6.489 -2.123 10.239) 12.307 8.365 ( -14.289 2.503 7.316) 16.246 8.713 ( 12.843 -0.392 -9.063) 15.724 11.645 ( -10.842 -3.903 2.561) 11.805 11.861 ( 7.346 -3.306 -0.630) 8.080 13.713 ( -8.509 -8.065 -8.945) 14.746 13.747 ( -4.179 -8.826 10.898) 14.633 16.441 ( -11.205 9.056 10.290) 17.704 16.683 ( 5.685 6.434 -2.580) 8.965 17.281 ( 0.790 9.029 -0.036) 9.063 17.464 ( 14.981 9.821 -0.907) 17.936 ======================= Grid point 647 (331/366) ======================= q-point: ( 0.27 0.27 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -0.946 0.000 -2.826) 2.980 1.597 ( -4.022 0.000 -5.945) 7.178 2.282 ( 10.084 -0.000 -5.056) 11.281 2.709 ( 3.752 -0.000 -11.196) 11.808 2.836 ( -6.413 0.000 10.302) 12.135 3.026 ( 10.406 -0.000 -9.971) 14.412 3.940 ( -2.327 0.000 11.990) 12.213 4.064 ( -3.640 0.000 -3.298) 4.912 4.247 ( -3.552 0.000 8.871) 9.555 4.506 ( 5.369 -0.000 -3.712) 6.528 5.887 ( 10.075 -0.000 -7.923) 12.817 6.149 ( -1.636 0.000 9.518) 9.657 6.795 ( 3.642 -0.000 5.001) 6.187 7.288 ( -10.270 0.000 -11.415) 15.355 8.098 ( -0.002 0.000 15.943) 15.943 8.590 ( 3.763 -0.000 -10.377) 11.038 11.234 ( -6.605 0.000 6.438) 9.223 12.084 ( -3.398 0.000 -5.387) 6.369 13.051 ( -7.458 0.000 4.440) 8.680 13.276 ( -4.974 0.000 -4.423) 6.657 16.402 ( -2.515 0.000 14.908) 15.119 17.275 ( 1.488 -0.000 4.746) 4.974 17.524 ( 9.880 -0.000 -5.532) 11.323 18.951 ( 8.426 -0.000 4.474) 9.541 ======================= Grid point 648 (332/366) ======================= q-point: ( 0.36 0.27 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 0.205 1.689 0.270) 1.723 1.514 ( -3.352 -1.533 -2.491) 4.449 2.379 ( 8.393 -1.692 -1.223) 8.649 2.627 ( 5.282 0.667 -15.370) 16.266 2.857 ( -9.231 0.342 14.228) 16.963 3.075 ( 10.632 -2.563 -10.200) 14.955 3.904 ( -6.722 9.493 6.896) 13.522 4.054 ( -2.182 0.512 8.198) 8.498 4.324 ( 2.977 -1.291 4.060) 5.197 4.584 ( 7.035 -5.786 -3.218) 9.660 5.898 ( 7.305 -1.040 -12.798) 14.773 6.161 ( -6.698 1.006 3.352) 7.557 6.869 ( -0.032 2.248 4.656) 5.171 7.098 ( -7.065 -3.737 -6.516) 10.312 8.258 ( -0.097 0.286 17.060) 17.063 8.559 ( 6.768 2.613 -5.598) 9.164 11.240 ( -5.215 -2.735 6.019) 8.420 11.959 ( -3.107 0.034 -11.022) 11.451 13.020 ( -7.328 -0.932 6.923) 10.124 13.221 ( 0.340 -0.240 -1.706) 1.756 16.525 ( -0.626 1.961 16.550) 16.678 17.286 ( 1.769 5.769 2.204) 6.424 17.609 ( 7.506 -3.667 -4.892) 9.681 18.999 ( 0.068 1.442 -3.502) 3.787 ======================= Grid point 649 (333/366) ======================= q-point: ( 0.45 0.27 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -0.488 0.711 2.617) 2.755 1.513 ( -0.254 -2.764 0.471) 2.815 2.488 ( 4.075 -2.439 1.908) 5.118 2.535 ( 4.920 0.826 -13.681) 14.562 2.883 ( -9.441 -0.024 15.418) 18.079 3.143 ( 10.752 -3.274 -10.280) 15.232 3.764 ( -5.149 10.942 5.920) 13.464 4.079 ( 0.239 6.918 8.124) 10.673 4.428 ( 4.426 -3.637 2.458) 6.234 4.740 ( 7.118 -7.760 -0.853) 10.565 5.841 ( 1.824 -0.218 -13.428) 13.553 6.022 ( -10.264 1.143 -5.961) 11.925 6.823 ( -1.828 3.927 1.095) 4.468 7.096 ( -4.416 -7.001 1.687) 8.448 8.409 ( -1.137 1.081 16.956) 17.029 8.582 ( 9.969 4.923 -1.560) 11.227 11.282 ( -5.066 -4.918 5.404) 8.892 11.817 ( -0.195 -1.052 -14.516) 14.556 13.040 ( -5.686 -2.934 9.163) 11.175 13.240 ( 1.803 -0.760 0.700) 2.078 16.653 ( 0.902 4.093 16.959) 17.469 17.239 ( 2.506 7.432 0.093) 7.844 17.682 ( 4.802 -2.466 -3.828) 6.618 18.859 ( -5.604 3.810 -11.032) 12.947 ======================= Grid point 650 (334/366) ======================= q-point: ( 0.55 0.27 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -0.620 -2.307 5.188) 5.712 1.568 ( 1.630 -3.263 1.150) 3.824 2.469 ( 6.821 1.040 -11.576) 13.476 2.562 ( -2.850 -2.595 4.107) 5.633 2.930 ( -8.991 -0.932 16.435) 18.757 3.213 ( 10.664 -2.364 -9.788) 14.667 3.634 ( -2.940 12.158 7.071) 14.369 4.045 ( 2.793 9.645 2.230) 10.286 4.566 ( 4.768 -5.022 2.684) 7.427 4.910 ( 6.223 -6.397 0.253) 8.928 5.646 ( -10.609 3.881 -9.820) 14.969 5.848 ( -3.719 -2.151 -12.136) 12.874 6.797 ( 0.368 2.471 3.909) 4.639 7.137 ( -5.253 -6.610 0.875) 8.488 8.524 ( -2.661 2.193 15.447) 15.827 8.637 ( 10.984 6.120 -0.333) 12.578 11.337 ( -5.721 -6.223 5.552) 10.113 11.712 ( 2.689 -2.542 -14.696) 15.155 13.133 ( -2.691 -5.734 9.254) 11.214 13.286 ( 1.014 -1.614 2.135) 2.862 16.769 ( 1.389 6.007 16.414) 17.534 17.174 ( 3.157 7.837 -1.313) 8.551 17.707 ( 2.586 0.690 -2.581) 3.719 18.571 ( -8.925 6.864 -15.850) 19.442 ======================= Grid point 651 (335/366) ======================= q-point: (-0.36 0.27 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -0.118 -5.104 6.103) 7.957 1.647 ( 1.667 -4.179 1.208) 4.659 2.456 ( 9.473 1.643 -8.180) 12.623 2.552 ( -8.511 -1.503 2.821) 9.091 3.004 ( -8.522 -2.622 16.076) 18.383 3.264 ( 9.123 -0.064 -8.035) 12.158 3.539 ( -1.402 11.930 9.553) 15.347 3.956 ( 4.639 9.205 -6.125) 11.991 4.702 ( 3.501 -3.514 3.405) 6.017 5.027 ( 3.948 -3.256 -3.753) 6.346 5.393 ( -10.433 3.059 -1.663) 10.998 5.716 ( -3.380 -1.399 -11.829) 12.381 6.848 ( 2.827 0.369 6.191) 6.816 7.143 ( -5.339 -5.694 -1.796) 8.009 8.581 ( -5.568 3.255 13.184) 14.677 8.685 ( 10.922 6.065 -2.156) 12.677 11.404 ( -6.727 -7.244 6.816) 12.008 11.663 ( 4.847 -3.642 -12.588) 13.971 13.274 ( -0.381 -6.894 6.303) 9.349 13.351 ( -0.172 -4.621 3.155) 5.598 16.844 ( -0.502 7.958 14.880) 16.882 17.099 ( 3.448 8.171 -2.346) 9.174 17.683 ( 1.723 4.614 -0.482) 4.949 18.190 ( -9.565 9.929 -16.605) 21.582 ======================= Grid point 652 (336/366) ======================= q-point: (-0.27 0.27 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -2.898 -6.340 4.674) 8.393 1.734 ( 3.036 -5.350 0.219) 6.156 2.454 ( -10.285 0.450 1.107) 10.354 2.499 ( 10.931 2.724 -4.190) 12.019 3.080 ( -8.150 -3.060 12.062) 14.875 3.271 ( 5.151 3.857 -4.361) 7.774 3.499 ( -1.736 7.539 11.349) 13.735 3.824 ( 7.091 6.413 -14.826) 17.642 4.780 ( -4.147 -0.065 6.987) 8.125 4.991 ( 3.535 0.095 -11.489) 12.020 5.351 ( -2.494 0.862 10.624) 10.947 5.573 ( -2.531 0.581 -10.311) 10.633 6.974 ( 4.955 -1.899 7.827) 9.456 7.112 ( -4.632 -4.669 -5.140) 8.347 8.558 ( -8.990 4.279 10.015) 14.122 8.714 ( 10.410 4.575 -5.127) 12.473 11.477 ( -9.027 -7.744 8.502) 14.620 11.676 ( 7.400 -4.208 -9.958) 13.100 13.398 ( -0.451 -5.931 5.177) 7.885 13.455 ( -1.417 -9.137 0.600) 9.266 16.832 ( -5.471 10.028 12.473) 16.913 17.002 ( 2.498 9.084 -3.959) 10.219 17.640 ( 1.616 8.427 3.644) 9.323 17.821 ( -3.388 10.720 -13.159) 17.308 ======================= Grid point 653 (337/366) ======================= q-point: (-0.18 0.27 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -7.233 -4.725 0.862) 8.682 1.852 ( 3.413 -6.941 -1.910) 7.967 2.332 ( -7.917 1.266 0.737) 8.052 2.572 ( 10.080 3.703 -0.302) 10.743 3.089 ( -6.827 1.584 6.369) 9.470 3.210 ( 0.875 6.544 -1.821) 6.849 3.529 ( -2.390 -1.242 6.886) 7.394 3.722 ( 9.087 1.608 -14.454) 17.149 4.727 ( -10.323 2.620 6.195) 12.321 4.968 ( 6.395 1.687 -6.032) 8.951 5.393 ( -2.811 2.872 3.732) 5.484 5.505 ( 4.095 1.359 2.383) 4.929 7.042 ( -3.735 -3.192 -7.904) 9.307 7.160 ( 6.540 -3.594 7.726) 10.741 8.455 ( -11.895 4.753 6.708) 14.459 8.730 ( 9.628 2.053 -8.250) 12.844 11.522 ( -10.522 -5.975 7.540) 14.257 11.755 ( 8.106 -5.177 -5.568) 11.114 13.510 ( -4.372 -7.843 -2.607) 9.350 13.527 ( -2.467 -8.454 5.031) 10.142 16.704 ( -10.544 11.715 9.034) 18.167 16.869 ( 1.074 8.351 -3.945) 9.298 17.522 ( -1.465 9.994 -0.026) 10.101 17.711 ( 12.627 9.699 0.891) 15.947 ======================= Grid point 654 (338/366) ======================= q-point: (-0.09 0.27 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -8.500 -4.496 -2.510) 9.938 1.923 ( 1.015 -5.618 -5.810) 8.145 2.268 ( -2.445 0.359 1.477) 2.879 2.624 ( 5.111 4.333 0.915) 6.763 3.017 ( -4.747 4.569 2.986) 7.234 3.124 ( 2.733 6.606 -2.692) 7.639 3.576 ( 2.780 -6.133 -7.205) 9.861 3.746 ( 2.820 -4.058 0.230) 4.947 4.621 ( -8.599 3.985 4.645) 10.555 4.926 ( -1.033 4.928 -2.395) 5.576 5.382 ( 6.018 2.986 1.292) 6.841 5.613 ( 3.902 2.422 11.427) 12.315 6.944 ( -2.031 -1.646 -10.743) 11.056 7.363 ( 6.729 -3.760 7.200) 10.548 8.290 ( -14.156 4.398 4.247) 15.420 8.740 ( 8.685 -0.718 -11.210) 14.199 11.511 ( -10.164 -2.722 5.410) 11.832 11.879 ( 6.123 -5.580 -1.133) 8.362 13.462 ( -7.685 -4.050 -5.610) 10.341 13.647 ( -7.120 -9.818 6.135) 13.591 16.498 ( -11.000 9.582 5.153) 15.472 16.787 ( 1.803 4.350 0.726) 4.764 17.442 ( 5.084 8.432 1.487) 9.958 17.816 ( 18.306 9.906 6.210) 21.721 ======================= Grid point 659 (339/366) ======================= q-point: ( 0.36 0.36 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -4.791 0.000 1.109) 4.918 1.479 ( 2.556 -0.000 1.350) 2.891 2.452 ( 3.742 -0.000 2.373) 4.431 2.543 ( 4.711 -0.000 -14.655) 15.394 2.887 ( -9.311 0.000 14.962) 17.623 3.100 ( 12.930 -0.000 -11.009) 16.982 3.948 ( -2.009 0.000 1.383) 2.439 4.124 ( -8.627 0.000 20.932) 22.640 4.439 ( 9.722 -0.000 0.530) 9.736 4.583 ( 7.158 -0.000 -5.489) 9.021 5.831 ( 5.242 -0.000 -15.237) 16.114 6.041 ( -12.622 0.000 -4.993) 13.574 6.931 ( -2.477 0.000 5.147) 5.712 6.949 ( -3.448 0.000 -2.664) 4.358 8.423 ( -1.076 0.000 17.739) 17.771 8.648 ( 9.994 -0.000 -1.384) 10.089 11.216 ( -5.881 0.000 6.345) 8.651 11.805 ( -0.064 0.000 -15.740) 15.740 13.004 ( -6.379 0.000 8.713) 10.799 13.230 ( 1.754 -0.000 0.439) 1.808 16.706 ( 0.345 -0.000 18.161) 18.164 17.352 ( -0.206 0.000 1.898) 1.909 17.632 ( 8.316 -0.000 -5.404) 9.918 18.907 ( -5.242 0.000 -10.294) 11.552 ======================= Grid point 660 (340/366) ======================= q-point: ( 0.45 0.36 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -4.817 -1.480 4.897) 7.027 1.531 ( 4.075 -0.346 0.131) 4.091 2.472 ( 4.737 -0.190 -11.233) 12.192 2.500 ( -2.942 -1.777 3.704) 5.053 2.924 ( -8.111 0.052 14.744) 16.828 3.170 ( 14.043 -0.917 -10.543) 17.584 3.912 ( 0.004 8.992 6.155) 10.897 4.226 ( -5.435 1.275 16.718) 17.625 4.492 ( 8.581 3.203 -4.537) 10.221 4.706 ( 6.683 -9.599 -2.122) 11.887 5.719 ( -1.852 1.894 -13.780) 14.033 5.799 ( -11.087 -1.486 -10.549) 15.375 6.875 ( -0.895 3.884 2.607) 4.762 6.989 ( -3.338 -5.335 1.988) 6.600 8.565 ( -2.712 0.950 17.064) 17.304 8.755 ( 11.070 2.804 -0.490) 11.430 11.218 ( -7.434 -2.802 7.356) 10.827 11.670 ( 3.913 -0.844 -17.445) 17.898 13.040 ( -4.182 -1.872 9.752) 10.775 13.260 ( 1.055 -0.552 1.021) 1.569 16.875 ( 0.776 2.340 17.854) 18.023 17.332 ( -0.065 4.122 0.454) 4.147 17.695 ( 7.163 -1.032 -3.351) 7.975 18.684 ( -8.199 2.353 -15.070) 17.316 ======================= Grid point 661 (341/366) ======================= q-point: ( 0.55 0.36 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -3.977 -3.703 7.076) 8.922 1.586 ( 4.385 -1.158 -1.572) 4.801 2.456 ( 6.909 -0.945 -7.843) 10.495 2.494 ( -7.924 -2.652 3.086) 8.907 2.972 ( -7.708 -0.335 14.667) 16.572 3.245 ( 12.605 -0.778 -10.452) 16.393 3.857 ( 0.151 13.064 10.416) 16.709 4.221 ( 1.364 10.745 2.113) 11.036 4.569 ( 3.568 -6.178 1.507) 7.291 4.872 ( 4.349 -9.010 -3.256) 10.521 5.470 ( -12.160 3.009 -4.974) 13.478 5.661 ( -1.062 -2.585 -13.149) 13.443 6.874 ( 1.207 1.701 3.782) 4.319 7.019 ( -3.506 -4.342 0.247) 5.586 8.655 ( -4.888 2.420 14.926) 15.891 8.826 ( 10.238 4.780 -2.405) 11.552 11.246 ( -9.125 -5.023 9.272) 13.945 11.590 ( 6.984 -2.206 -16.598) 18.142 13.132 ( -1.837 -4.001 8.918) 9.946 13.286 ( -0.247 -1.558 0.710) 1.730 17.003 ( 0.126 4.671 15.758) 16.437 17.273 ( 0.614 5.513 -0.804) 5.606 17.757 ( 6.014 1.538 0.180) 6.210 18.374 ( -9.258 5.011 -16.849) 19.867 ======================= Grid point 662 (342/366) ======================= q-point: (-0.36 -0.64 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -3.152 -5.395 6.538) 9.043 1.636 ( 3.469 -2.657 -2.534) 5.051 2.435 ( -10.178 -1.786 2.372) 10.602 2.512 ( 9.978 -1.360 -5.357) 11.406 3.020 ( -8.781 -1.172 13.758) 16.363 3.287 ( 10.151 -0.701 -11.284) 15.194 3.789 ( -3.888 14.119 13.602) 19.987 4.070 ( 5.475 12.271 -10.757) 17.212 4.712 ( -1.554 -5.627 7.675) 9.642 4.926 ( 0.504 -5.644 -9.881) 11.390 5.358 ( -3.917 0.011 7.663) 8.606 5.558 ( -0.605 -1.365 -10.909) 11.010 6.938 ( 3.420 -1.009 4.600) 5.820 7.013 ( -3.290 -3.144 -2.342) 5.118 8.668 ( -7.517 4.218 11.440) 14.324 8.841 ( 8.686 5.244 -5.408) 11.497 11.298 ( -10.278 -6.367 11.511) 16.694 11.574 ( 8.714 -3.827 -14.253) 17.138 13.250 ( -0.892 -5.331 6.246) 8.260 13.311 ( -1.091 -3.422 0.223) 3.599 17.052 ( -2.756 7.454 12.113) 14.487 17.195 ( 0.660 6.324 -2.334) 6.774 17.812 ( 5.678 5.401 5.352) 9.490 18.037 ( -7.216 6.679 -15.034) 17.964 ======================= Grid point 663 (343/366) ======================= q-point: (-0.27 -0.64 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -5.106 -4.506 2.787) 7.358 1.696 ( 2.772 -5.199 -2.493) 6.398 2.348 ( -9.277 -0.168 2.722) 9.670 2.614 ( 11.141 -0.549 -3.755) 11.770 3.047 ( -10.480 -2.482 11.388) 15.674 3.294 ( 7.768 -0.164 -11.041) 13.501 3.661 ( -8.349 11.506 8.226) 16.424 3.894 ( 7.580 10.693 -11.067) 17.155 4.751 ( -8.853 -0.697 5.360) 10.373 4.937 ( 3.768 -4.514 -4.158) 7.201 5.448 ( 0.779 1.232 6.603) 6.762 5.495 ( 2.587 -1.742 -1.566) 3.489 6.970 ( -2.897 -2.412 -5.210) 6.431 7.070 ( 5.629 -3.404 5.127) 8.340 8.588 ( -10.190 5.771 7.277) 13.787 8.811 ( 7.089 4.191 -8.415) 11.774 11.368 ( -10.254 -6.158 12.508) 17.306 11.619 ( 8.761 -5.623 -10.623) 14.873 13.346 ( -2.109 -5.439 -0.238) 5.839 13.351 ( -1.392 -5.742 2.947) 6.603 16.983 ( -6.890 10.518 8.506) 15.181 17.069 ( -1.578 7.571 -5.111) 9.270 17.740 ( -4.486 7.269 -4.426) 9.621 17.921 ( 10.392 7.295 5.875) 13.990 ======================= Grid point 664 (344/366) ======================= q-point: (-0.18 -0.64 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -8.766 -2.784 -0.081) 9.198 1.767 ( 1.298 -6.469 -3.854) 7.641 2.285 ( -4.931 0.640 3.523) 6.094 2.690 ( 6.117 0.965 -3.511) 7.119 3.052 ( -8.475 -2.248 7.718) 11.681 3.261 ( 3.566 2.956 -6.377) 7.882 3.519 ( -0.321 3.768 -3.775) 5.343 3.783 ( 2.592 6.841 -2.950) 7.888 4.683 ( -6.704 1.108 2.139) 7.123 4.974 ( -2.068 -1.404 -0.456) 2.541 5.464 ( 7.735 3.392 0.361) 8.454 5.632 ( 2.424 -0.973 11.960) 12.241 6.903 ( -1.580 -1.420 -7.573) 7.866 7.250 ( 6.760 -5.168 4.871) 9.805 8.426 ( -12.514 6.428 3.782) 14.568 8.755 ( 5.669 1.969 -11.107) 12.624 11.428 ( -8.500 -3.860 10.196) 13.824 11.719 ( 6.717 -7.218 -4.653) 10.902 13.358 ( -4.095 -4.237 -2.120) 6.262 13.430 ( -3.003 -7.469 1.640) 8.216 16.773 ( -10.334 12.196 0.414) 15.990 16.926 ( -2.435 6.581 0.099) 7.018 17.620 ( 1.259 5.607 -0.500) 5.768 18.053 ( 13.768 9.034 10.776) 19.680 ======================= Grid point 665 (345/366) ======================= q-point: (-0.09 0.36 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -9.250 -3.137 -2.111) 9.992 1.799 ( -1.028 -5.292 -5.093) 7.417 2.283 ( -0.465 0.553 3.762) 3.831 2.671 ( -0.698 0.595 -3.550) 3.667 3.021 ( -4.848 2.799 2.478) 6.122 3.221 ( 3.700 3.996 -1.147) 5.565 3.498 ( 8.127 -2.078 -10.078) 13.112 3.735 ( -3.377 -0.482 2.676) 4.335 4.609 ( -4.979 2.438 1.830) 5.838 4.908 ( -5.598 2.167 -1.330) 6.148 5.571 ( 11.592 3.803 5.149) 13.242 5.783 ( 1.697 0.190 12.898) 13.011 6.827 ( 0.408 -0.336 -8.586) 8.603 7.440 ( 6.567 -5.360 3.326) 9.106 8.213 ( -13.955 6.090 2.417) 15.416 8.690 ( 4.315 -0.828 -13.233) 13.944 11.446 ( -6.652 -0.697 6.903) 9.612 11.859 ( 4.169 -7.204 0.927) 8.374 13.309 ( -6.096 -1.660 -2.172) 6.681 13.480 ( -5.920 -7.923 -0.335) 9.896 16.507 ( -10.213 9.198 0.129) 13.745 16.856 ( -0.362 3.506 2.237) 4.175 17.598 ( 4.056 4.803 1.285) 6.416 18.242 ( 16.728 8.486 12.155) 22.351 ======================= Grid point 671 (346/366) ======================= q-point: ( 0.45 0.45 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -4.820 0.000 7.455) 8.877 1.574 ( 5.249 -0.000 -3.096) 6.094 2.441 ( 5.199 -0.000 -7.016) 8.732 2.455 ( -7.648 0.000 3.360) 8.354 2.970 ( -6.859 0.000 13.581) 15.215 3.235 ( 13.237 -0.000 -10.505) 16.899 4.086 ( 5.255 -0.000 8.950) 10.378 4.304 ( -7.561 0.000 17.006) 18.611 4.617 ( 6.013 -0.000 -6.524) 8.872 4.619 ( 5.240 -0.000 -6.464) 8.321 5.518 ( -15.090 0.000 -5.393) 16.025 5.618 ( 2.398 -0.000 -14.544) 14.740 6.924 ( -3.041 0.000 2.981) 4.258 6.937 ( 0.915 -0.000 1.084) 1.419 8.686 ( -4.666 0.000 15.670) 16.350 8.889 ( 9.974 -0.000 -2.623) 10.313 11.181 ( -9.520 0.000 10.093) 13.874 11.562 ( 7.395 -0.000 -17.970) 19.432 13.083 ( -2.248 0.000 9.554) 9.815 13.267 ( -0.203 0.000 -0.022) 0.204 17.062 ( 0.410 -0.000 15.803) 15.808 17.345 ( -1.832 0.000 0.058) 1.833 17.772 ( 8.733 -0.000 0.236) 8.736 18.435 ( -9.366 0.000 -16.744) 19.185 ======================= Grid point 672 (347/366) ======================= q-point: (-0.45 -0.55 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -3.825 -2.038 7.976) 9.078 1.598 ( 5.316 -0.640 -5.865) 7.942 2.390 ( -9.398 -1.275 3.422) 10.083 2.470 ( 7.112 -1.270 -3.951) 8.234 3.011 ( -7.346 0.023 12.232) 14.268 3.274 ( 10.629 -0.254 -12.000) 16.032 4.139 ( -0.548 13.510 12.903) 18.690 4.363 ( 0.633 7.900 -0.877) 7.974 4.528 ( -1.135 -5.819 1.927) 6.234 4.721 ( 1.561 -10.372 -8.789) 13.685 5.360 ( -7.858 0.114 4.351) 8.983 5.528 ( 2.774 -0.759 -11.367) 11.725 6.922 ( -0.959 -0.357 2.808) 2.989 6.964 ( 0.934 -0.865 -0.490) 1.364 8.745 ( -6.899 1.771 12.814) 14.660 8.941 ( 7.855 2.354 -6.130) 10.238 11.186 ( -10.520 -2.476 13.182) 17.045 11.505 ( 9.112 -1.572 -16.716) 19.103 13.162 ( -1.079 -1.820 7.965) 8.241 13.258 ( -0.959 -1.052 -1.385) 1.986 17.181 ( -0.338 2.788 11.568) 11.904 17.301 ( -1.924 2.198 -1.180) 3.150 17.901 ( 8.773 1.824 6.148) 10.867 18.145 ( -9.389 2.205 -15.791) 18.503 ======================= Grid point 673 (348/366) ======================= q-point: (-0.36 -0.55 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -3.503 -3.178 5.823) 7.502 1.611 ( 4.433 -1.902 -6.619) 8.190 2.328 ( -9.214 -1.128 4.449) 10.294 2.563 ( 9.034 -2.735 -3.092) 9.933 3.016 ( -10.352 -0.248 10.458) 14.717 3.275 ( 9.155 -0.701 -13.549) 16.367 4.000 ( -8.598 15.005 6.256) 18.390 4.178 ( 2.521 11.532 -7.069) 13.759 4.677 ( -4.746 -6.217 8.557) 11.593 4.755 ( 1.208 -9.106 -7.450) 11.827 5.406 ( -0.877 -3.008 9.819) 10.307 5.494 ( 5.510 0.840 -5.035) 7.511 6.931 ( -1.865 -0.842 -1.052) 2.301 7.005 ( 4.074 -1.869 1.215) 4.644 8.715 ( -9.294 4.115 8.701) 13.380 8.910 ( 5.652 3.395 -9.432) 11.508 11.241 ( -9.941 -3.892 15.779) 19.052 11.499 ( 8.997 -3.773 -14.153) 17.190 13.242 ( -1.404 -2.922 5.136) 6.073 13.250 ( -0.766 -2.652 -2.297) 3.591 17.192 ( -3.130 6.011 5.665) 8.833 17.223 ( -1.669 4.712 -2.378) 5.536 17.866 ( -7.922 3.098 -10.158) 13.249 18.064 ( 9.582 4.170 10.676) 14.939 ======================= Grid point 674 (349/366) ======================= q-point: (-0.27 -0.55 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -5.580 -1.674 1.939) 6.139 1.633 ( 2.851 -4.005 -5.360) 7.273 2.288 ( -6.791 -0.403 5.989) 9.064 2.668 ( 7.364 -2.639 -5.461) 9.540 2.980 ( -12.724 -2.252 10.193) 16.458 3.260 ( 8.319 -1.174 -13.707) 16.077 3.753 ( -5.291 12.708 -0.815) 13.789 4.015 ( -2.353 10.838 0.104) 11.092 4.678 ( -1.911 -1.432 -3.580) 4.304 4.851 ( -4.291 -8.459 2.492) 9.807 5.514 ( 4.907 -0.805 2.507) 5.568 5.596 ( 5.855 -0.182 11.014) 12.475 6.888 ( -1.003 0.298 -4.154) 4.284 7.125 ( 5.614 -4.816 2.195) 7.715 8.587 ( -11.469 6.233 4.444) 13.789 8.822 ( 3.677 3.049 -11.964) 12.882 11.335 ( -7.323 -3.417 15.316) 17.317 11.546 ( 7.128 -6.413 -8.871) 13.062 13.257 ( -0.728 -3.803 -2.678) 4.708 13.294 ( -2.451 -3.617 1.974) 4.795 17.044 ( -5.130 8.071 -8.552) 12.829 17.106 ( -4.911 8.843 5.353) 11.445 17.705 ( -3.332 1.343 -3.114) 4.754 18.245 ( 10.921 6.378 13.924) 18.811 ======================= Grid point 675 (350/366) ======================= q-point: (-0.18 -0.55 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -8.667 0.263 0.345) 8.678 1.666 ( 0.684 -5.042 -4.260) 6.636 2.292 ( -3.177 0.084 6.820) 7.524 2.656 ( -2.733 -1.534 -6.482) 7.200 3.001 ( -5.914 -4.109 7.968) 10.740 3.242 ( 6.039 -1.113 -10.808) 12.431 3.587 ( 2.165 8.812 -1.211) 9.155 3.851 ( -5.471 8.579 0.756) 10.203 4.633 ( -1.793 -0.355 -2.893) 3.422 4.878 ( -5.727 -4.779 -0.572) 7.481 5.634 ( 6.564 0.054 6.410) 9.175 5.780 ( 5.510 0.875 12.502) 13.690 6.829 ( 0.511 0.778 -5.475) 5.554 7.289 ( 6.286 -6.645 1.489) 9.267 8.383 ( -12.772 7.360 2.128) 14.894 8.702 ( 2.001 1.575 -13.683) 13.918 11.418 ( -3.242 -1.443 8.336) 9.060 11.667 ( 4.051 -8.025 1.383) 9.095 13.258 ( -2.966 -2.545 -1.492) 4.184 13.317 ( -2.324 -5.046 -1.739) 5.821 16.760 ( -8.209 10.463 -7.357) 15.198 16.992 ( -3.818 7.429 3.514) 9.062 17.667 ( -0.155 0.686 0.601) 0.925 18.438 ( 12.046 7.175 13.917) 19.755 ======================= Grid point 676 (351/366) ======================= q-point: (-0.09 -0.55 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -7.984 -0.235 -0.240) 7.991 1.682 ( -1.777 -4.147 -3.063) 5.453 2.332 ( -1.500 0.069 7.206) 7.361 2.581 ( -3.369 -2.746 -4.672) 6.381 3.019 ( -2.755 0.896 1.170) 3.124 3.241 ( 1.822 -2.387 -3.263) 4.434 3.559 ( 10.832 4.922 -6.040) 13.343 3.702 ( -8.890 3.071 3.246) 9.949 4.590 ( -2.758 0.551 -0.061) 2.813 4.833 ( -4.033 -0.959 -2.742) 4.970 5.779 ( 4.836 -0.755 7.328) 8.812 5.940 ( 5.065 2.571 11.298) 12.646 6.784 ( 2.465 1.080 -4.846) 5.543 7.445 ( 4.594 -6.661 -1.556) 8.240 8.165 ( -11.742 7.248 4.225) 14.431 8.576 ( 0.804 -0.688 -14.528) 14.566 11.453 ( -1.547 0.336 3.815) 4.131 11.844 ( 2.666 -6.627 6.556) 9.696 13.217 ( -5.577 -0.640 0.340) 5.624 13.324 ( -2.217 -5.040 -4.317) 6.997 16.487 ( -7.815 8.350 -3.220) 11.881 16.914 ( -1.579 4.202 2.435) 5.106 17.676 ( 1.207 0.765 1.236) 1.889 18.626 ( 11.742 5.937 11.413) 17.418 ======================= Grid point 683 (352/366) ======================= q-point: (-0.45 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -3.174 0.000 6.870) 7.568 1.590 ( 5.801 -0.000 -8.715) 10.469 2.311 ( -8.985 0.000 5.247) 10.405 2.523 ( 7.637 -0.000 -2.328) 7.984 3.016 ( -9.730 0.000 9.507) 13.603 3.266 ( 9.142 -0.000 -13.792) 16.547 4.295 ( -8.598 0.000 -7.797) 11.607 4.406 ( -2.093 0.000 12.164) 12.342 4.438 ( -8.223 0.000 6.918) 10.746 4.612 ( 9.161 -0.000 -11.063) 14.363 5.364 ( -3.037 0.000 9.632) 10.099 5.505 ( 7.179 -0.000 -4.483) 8.464 6.922 ( -1.205 0.000 1.915) 2.263 6.981 ( 3.135 -0.000 -1.648) 3.542 8.769 ( -9.007 0.000 9.489) 13.083 8.955 ( 5.164 -0.000 -10.023) 11.275 11.191 ( -9.763 0.000 16.859) 19.482 11.450 ( 8.995 -0.000 -15.391) 17.827 13.206 ( -1.352 0.000 6.095) 6.243 13.218 ( -0.510 0.000 -3.222) 3.262 17.264 ( -2.786 0.000 -3.213) 4.253 17.287 ( 0.070 -0.000 6.917) 6.917 17.902 ( -9.625 0.000 -12.416) 15.710 18.116 ( 9.508 -0.000 12.081) 15.374 ======================= Grid point 684 (353/366) ======================= q-point: (-0.36 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -3.366 -0.935 4.079) 5.370 1.577 ( 5.178 -0.894 -8.781) 10.233 2.275 ( -7.535 -0.419 7.647) 10.744 2.598 ( 6.870 -2.003 -4.329) 8.363 2.954 ( -14.075 -0.223 8.482) 16.434 3.239 ( 8.959 -0.413 -14.721) 17.238 4.047 ( -6.092 8.850 -6.697) 12.660 4.283 ( -9.823 11.186 9.179) 17.489 4.583 ( -7.741 -12.604 7.373) 16.527 4.625 ( 7.948 -2.155 -13.314) 15.655 5.457 ( -0.921 -1.967 10.728) 10.945 5.620 ( 11.408 0.873 5.325) 12.620 6.914 ( -0.444 1.478 -0.514) 1.627 7.025 ( 4.264 -2.917 -1.214) 5.307 8.703 ( -11.013 2.687 5.461) 12.583 8.881 ( 2.766 1.401 -12.968) 13.334 11.274 ( -6.840 -1.341 19.237) 20.461 11.429 ( 7.364 -2.647 -12.469) 14.721 13.191 ( 0.847 -1.419 -4.312) 4.618 13.238 ( -2.669 -1.146 3.655) 4.669 17.163 ( -3.107 2.372 -7.719) 8.652 17.304 ( -1.149 5.269 3.573) 6.469 17.701 ( -8.216 -0.940 -5.616) 9.996 18.354 ( 9.703 2.338 15.253) 18.228 ======================= Grid point 685 (354/366) ======================= q-point: (-0.27 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -5.076 0.563 1.361) 5.286 1.573 ( 3.142 -2.271 -6.183) 7.298 2.287 ( -5.054 -0.412 9.386) 10.669 2.604 ( -2.134 -2.417 -8.259) 8.866 2.900 ( -10.660 -2.970 10.630) 15.344 3.214 ( 8.793 -0.832 -14.473) 16.955 3.842 ( -0.918 10.172 -2.051) 10.418 4.094 ( -11.354 10.796 6.654) 17.022 4.601 ( 3.702 -1.992 -10.745) 11.538 4.682 ( -6.457 -10.633 1.898) 12.584 5.581 ( -0.566 -2.925 10.362) 10.781 5.831 ( 12.014 2.212 10.521) 16.122 6.871 ( 0.669 2.639 -2.660) 3.806 7.130 ( 5.034 -6.008 -0.718) 7.871 8.547 ( -12.197 5.379 2.502) 13.563 8.748 ( 0.777 1.696 -14.674) 14.792 11.386 ( 0.417 -0.962 4.931) 5.041 11.492 ( 2.562 -5.707 5.946) 8.631 13.189 ( 1.765 -2.444 -4.455) 5.379 13.238 ( -3.980 -1.797 1.321) 4.563 16.969 ( -4.257 6.016 -12.163) 14.222 17.206 ( -4.053 9.269 3.324) 10.648 17.632 ( -4.377 -3.298 0.281) 5.488 18.580 ( 9.685 4.207 14.831) 18.206 ======================= Grid point 686 (355/366) ======================= q-point: (-0.18 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -6.909 2.741 1.330) 7.551 1.587 ( 0.699 -3.158 -2.929) 4.364 2.328 ( -5.074 -0.212 9.547) 10.814 2.503 ( -6.152 -3.514 -4.547) 8.419 2.949 ( -5.684 -4.983 7.001) 10.303 3.192 ( 6.804 -1.190 -12.316) 14.120 3.738 ( 3.813 9.082 0.870) 9.888 3.879 ( -10.622 9.496 2.789) 14.518 4.569 ( -0.813 -2.130 -4.393) 4.949 4.729 ( -2.300 -7.224 -3.322) 8.277 5.708 ( -1.811 -3.802 9.980) 10.833 6.029 ( 9.747 3.716 9.375) 14.025 6.828 ( 2.256 2.683 -2.752) 4.456 7.266 ( 4.595 -7.675 -1.877) 9.140 8.347 ( -11.374 7.032 3.276) 13.768 8.585 ( -0.637 1.042 -15.259) 15.308 11.427 ( 2.125 -2.475 -2.389) 4.044 11.703 ( 3.516 -4.253 14.278) 15.307 13.192 ( -2.373 -1.344 -0.346) 2.749 13.223 ( -0.590 -2.991 -3.291) 4.486 16.705 ( -5.124 8.429 -10.597) 14.478 17.074 ( -4.191 8.475 3.030) 9.928 17.645 ( -2.479 -3.244 1.690) 4.419 18.762 ( 8.265 4.835 10.966) 14.558 ======================= Grid point 687 (356/366) ======================= q-point: (-0.09 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -5.192 2.658 2.144) 6.214 1.607 ( -0.882 -2.506 0.038) 2.657 2.339 ( -8.779 -3.653 7.690) 12.229 2.495 ( 1.037 -1.887 -0.092) 2.155 2.987 ( -2.694 -2.524 1.167) 3.872 3.178 ( 1.104 -3.232 -5.266) 6.277 3.666 ( -10.588 6.946 1.807) 12.791 3.721 ( 8.791 6.531 -1.570) 11.063 4.547 ( -4.937 -1.646 1.940) 5.554 4.753 ( 3.373 -3.644 -6.161) 7.913 5.817 ( -3.607 -4.448 8.584) 10.319 6.144 ( 6.041 3.875 3.941) 8.188 6.811 ( 2.851 2.050 -1.678) 3.892 7.371 ( 2.261 -6.286 -3.502) 7.542 8.197 ( -7.463 6.735 8.676) 13.279 8.423 ( -0.912 -0.490 -14.871) 14.907 11.457 ( 1.440 -1.933 -1.616) 2.902 11.918 ( 4.743 -1.890 10.210) 11.415 13.165 ( -5.100 0.177 3.852) 6.393 13.231 ( 2.032 -2.614 -5.050) 6.039 16.466 ( -4.421 7.275 -5.415) 10.089 16.967 ( -2.703 5.420 1.722) 6.297 17.673 ( -1.542 -2.748 1.333) 3.421 18.868 ( 4.682 3.345 4.792) 7.488 ======================= Grid point 695 (357/366) ======================= q-point: (-0.36 -0.36 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -3.610 0.000 2.127) 4.190 1.550 ( 4.784 -0.000 -8.021) 9.340 2.280 ( -5.755 0.000 10.544) 12.012 2.567 ( -1.329 0.000 -8.424) 8.529 2.866 ( -13.026 0.000 10.512) 16.739 3.204 ( 9.332 -0.000 -14.975) 17.645 3.988 ( -3.731 0.000 -2.486) 4.483 4.368 ( -13.077 0.000 6.106) 14.432 4.398 ( -11.651 0.000 11.525) 16.388 4.571 ( 12.236 -0.000 -20.169) 23.590 5.540 ( -1.918 0.000 11.943) 12.096 5.860 ( 13.124 -0.000 10.265) 16.662 6.930 ( 0.601 -0.000 0.324) 0.683 7.030 ( 4.507 -0.000 -3.654) 5.802 8.617 ( -12.118 0.000 2.890) 12.458 8.770 ( 0.473 -0.000 -15.280) 15.287 11.377 ( 5.397 -0.000 -10.281) 11.612 11.414 ( -1.689 0.000 21.509) 21.576 13.158 ( 2.847 -0.000 -5.244) 5.967 13.217 ( -4.257 0.000 2.249) 4.814 17.044 ( -2.845 0.000 -12.477) 12.798 17.362 ( -0.037 0.000 1.383) 1.383 17.555 ( -9.032 0.000 0.413) 9.041 18.633 ( 8.961 -0.000 15.186) 17.633 ======================= Grid point 696 (358/366) ======================= q-point: (-0.27 -0.36 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -4.559 1.030 1.526) 4.917 1.541 ( 3.292 -0.640 -4.541) 5.646 2.330 ( -4.777 0.349 11.243) 12.221 2.423 ( -10.100 -2.381 -4.972) 11.506 2.853 ( -8.045 -2.157 9.143) 12.368 3.175 ( 8.974 -0.279 -14.657) 17.188 3.929 ( 0.402 4.801 1.034) 4.927 4.137 ( -14.315 11.132 5.945) 19.083 4.455 ( -11.487 -9.070 6.032) 15.830 4.555 ( 12.436 -3.396 -17.032) 21.361 5.633 ( -3.153 -1.798 11.198) 11.771 6.096 ( 10.243 1.468 8.817) 13.594 6.919 ( 2.745 4.549 -0.451) 5.332 7.086 ( 3.591 -6.469 -3.360) 8.126 8.478 ( -11.468 3.058 3.063) 12.258 8.608 ( -1.109 0.605 -16.122) 16.171 11.361 ( 3.778 -1.968 -6.996) 8.190 11.642 ( 4.471 -1.007 19.654) 20.181 13.157 ( 3.783 -1.032 -5.020) 6.370 13.184 ( -4.622 -0.624 1.931) 5.048 16.858 ( -2.410 3.459 -14.350) 14.956 17.295 ( -3.121 8.464 1.391) 9.128 17.525 ( -5.976 -6.062 2.652) 8.916 18.848 ( 6.748 1.924 10.854) 12.925 ======================= Grid point 697 (359/366) ======================= q-point: (-0.18 -0.36 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -5.035 3.107 3.142) 6.699 1.561 ( 2.150 -0.940 -0.246) 2.359 2.251 ( -13.722 -2.959 2.705) 14.296 2.446 ( -0.700 -1.925 8.797) 9.032 2.881 ( -6.619 -4.267 6.760) 10.378 3.141 ( 6.507 -0.505 -13.303) 14.818 3.881 ( -12.971 9.667 3.191) 16.488 3.900 ( 3.339 6.984 2.287) 8.072 4.463 ( -7.911 -5.331 3.588) 10.192 4.619 ( 10.087 -6.000 -11.627) 16.521 5.717 ( -4.813 -3.171 9.680) 11.266 6.219 ( 4.694 2.066 2.157) 5.564 6.884 ( 2.114 3.967 -2.698) 5.243 7.203 ( 4.541 -6.993 0.039) 8.338 8.350 ( -8.390 5.035 7.018) 12.042 8.428 ( -1.721 0.534 -15.577) 15.681 11.381 ( 2.955 -3.367 -4.369) 6.257 11.897 ( 8.222 -0.185 13.432) 15.749 13.167 ( -2.512 0.008 4.497) 5.151 13.177 ( 3.608 -1.591 -4.431) 5.932 16.641 ( -1.648 6.040 -12.273) 13.778 17.151 ( -4.553 8.933 1.642) 10.160 17.563 ( -4.410 -6.100 2.029) 7.796 18.943 ( 1.744 2.528 3.217) 4.447 ======================= Grid point 698 (360/366) ======================= q-point: (-0.09 -0.36 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -2.246 3.790 4.780) 6.501 1.609 ( 2.058 -0.443 2.883) 3.570 2.204 ( -11.272 -6.972 6.577) 14.796 2.539 ( 0.130 -0.023 7.505) 7.507 2.925 ( -2.756 -4.547 2.556) 5.900 3.093 ( 0.279 -2.163 -7.537) 7.847 3.648 ( -11.028 8.275 2.605) 14.032 3.885 ( 5.623 6.571 -0.423) 8.659 4.475 ( -6.531 -3.790 5.702) 9.462 4.714 ( 11.190 -5.007 -9.561) 15.546 5.773 ( -6.852 -4.145 6.901) 10.571 6.216 ( 0.615 1.307 -4.065) 4.313 6.812 ( -2.035 0.958 -5.748) 6.172 7.358 ( 5.836 -2.876 5.019) 8.217 8.267 ( -0.144 -0.400 -14.128) 14.135 8.299 ( -5.000 5.064 12.079) 14.020 11.424 ( 2.600 -3.269 -2.451) 4.843 12.068 ( 6.383 1.609 3.920) 7.661 13.201 ( 3.450 -0.924 -2.301) 4.249 13.214 ( 2.078 2.091 8.135) 8.653 16.455 ( -0.628 5.867 -7.060) 9.201 17.011 ( -4.104 6.539 0.612) 7.744 17.600 ( -3.773 -5.628 0.931) 6.839 18.891 ( -5.351 0.421 -4.989) 7.329 ======================= Grid point 707 (361/366) ======================= q-point: (-0.27 -0.27 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -4.696 0.000 3.105) 5.630 1.556 ( 4.160 -0.000 -0.866) 4.249 2.212 ( -15.019 0.000 -0.016) 15.019 2.419 ( -2.053 0.000 12.785) 12.949 2.825 ( -7.844 0.000 7.987) 11.195 3.136 ( 7.851 -0.000 -14.827) 16.777 3.985 ( -0.844 0.000 5.033) 5.103 4.070 ( -14.042 0.000 0.066) 14.042 4.338 ( -10.439 0.000 11.499) 15.531 4.535 ( 16.096 -0.000 -18.602) 24.599 5.677 ( -4.781 0.000 9.935) 11.026 6.244 ( 3.793 -0.000 1.470) 4.067 6.973 ( -0.750 0.000 -9.485) 9.514 7.076 ( 7.901 -0.000 7.692) 11.027 8.416 ( -9.004 0.000 6.794) 11.280 8.435 ( -1.657 0.000 -16.238) 16.322 11.333 ( 3.518 -0.000 -4.895) 6.028 11.896 ( 9.444 -0.000 14.103) 16.973 13.156 ( 4.568 -0.000 -4.634) 6.507 13.168 ( -1.853 0.000 5.251) 5.568 16.721 ( -0.193 0.000 -14.766) 14.767 17.347 ( -0.697 0.000 -2.078) 2.192 17.406 ( -9.393 0.000 5.393) 10.831 18.977 ( 0.716 -0.000 2.680) 2.774 ======================= Grid point 708 (362/366) ======================= q-point: (-0.18 -0.27 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -4.368 1.322 6.167) 7.672 1.619 ( 5.839 0.926 1.767) 6.171 2.075 ( -14.899 -2.957 6.984) 16.718 2.529 ( -0.519 -0.466 11.759) 11.779 2.822 ( -6.988 -2.641 7.208) 10.381 3.072 ( 4.495 -0.167 -14.294) 14.985 3.858 ( -12.046 7.293 1.666) 14.180 4.009 ( -1.727 2.226 5.271) 5.977 4.366 ( -6.719 -3.716 9.040) 11.860 4.591 ( 16.499 -3.702 -16.010) 23.286 5.702 ( -6.477 -1.522 7.075) 9.712 6.231 ( -1.619 0.165 -5.049) 5.305 6.835 ( -3.856 0.692 -9.740) 10.499 7.295 ( 9.564 -1.628 10.238) 14.104 8.267 ( -0.361 0.151 -15.032) 15.037 8.396 ( -6.447 2.308 11.396) 13.295 11.353 ( 3.879 -1.824 -2.786) 5.112 12.097 ( 8.070 0.620 4.212) 9.124 13.176 ( 4.317 -0.647 -3.256) 5.446 13.263 ( 6.673 1.189 9.989) 12.072 16.576 ( 1.975 3.060 -12.946) 13.448 17.211 ( -5.074 9.006 0.049) 10.337 17.430 ( -5.941 -8.042 1.447) 10.102 18.902 ( -9.268 0.317 -6.865) 11.538 ======================= Grid point 709 (363/366) ======================= q-point: (-0.09 -0.27 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -1.065 2.142 8.204) 8.546 1.696 ( 5.532 1.418 2.312) 6.161 2.070 ( -10.434 -5.771 12.309) 17.138 2.622 ( -1.211 0.939 9.117) 9.245 2.865 ( -2.681 -5.009 4.012) 6.954 2.981 ( -1.426 -1.580 -9.206) 9.449 3.655 ( -8.722 8.338 2.914) 12.413 3.991 ( -1.083 4.012 2.403) 4.801 4.431 ( -2.612 -3.529 7.028) 8.287 4.706 ( 14.585 -5.511 -11.857) 19.588 5.681 ( -8.727 -2.571 2.033) 9.323 6.130 ( -4.240 -0.935 -8.427) 9.480 6.706 ( -4.297 -0.479 -4.970) 6.587 7.501 ( 5.697 0.287 8.943) 10.607 8.155 ( 4.686 -0.498 -12.169) 13.050 8.415 ( -5.700 3.160 14.130) 15.561 11.412 ( 4.385 -2.323 -1.130) 5.090 12.149 ( 2.526 1.858 -2.855) 4.240 13.215 ( 4.074 -0.804 -1.037) 4.280 13.468 ( 15.026 5.328 10.688) 19.194 16.457 ( 3.294 4.095 -8.494) 9.988 17.036 ( -5.867 7.473 -0.729) 9.529 17.463 ( -5.482 -7.873 -0.323) 9.599 18.635 ( -19.364 -3.151 -13.419) 23.769 ======================= Grid point 719 (364/366) ======================= q-point: (-0.18 -0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -3.647 0.000 10.282) 10.910 1.718 ( 5.638 -0.000 -0.143) 5.640 2.001 ( -9.528 0.000 14.834) 17.631 2.636 ( -0.134 0.000 10.434) 10.435 2.790 ( -7.029 0.000 7.568) 10.328 2.966 ( 1.094 -0.000 -13.952) 13.995 3.795 ( -7.808 0.000 1.252) 7.908 4.020 ( -7.941 0.000 8.446) 11.593 4.390 ( -2.278 0.000 9.665) 9.930 4.618 ( 18.575 -0.000 -17.794) 25.722 5.650 ( -7.976 0.000 1.866) 8.191 6.115 ( -5.656 0.000 -8.664) 10.347 6.700 ( -4.469 0.000 -5.663) 7.214 7.503 ( 7.118 -0.000 10.028) 12.298 8.151 ( 4.444 -0.000 -12.767) 13.518 8.457 ( -6.555 0.000 14.001) 15.459 11.380 ( 5.220 -0.000 -0.918) 5.300 12.172 ( 2.799 -0.000 -2.488) 3.745 13.203 ( 4.321 -0.000 -0.938) 4.421 13.538 ( 19.165 -0.000 10.106) 21.666 16.516 ( 5.306 -0.000 -12.370) 13.460 17.239 ( -2.117 0.000 -6.155) 6.509 17.262 ( -10.601 0.000 4.500) 11.517 18.593 ( -24.000 0.000 -14.047) 27.809 ======================= Grid point 720 (365/366) ======================= q-point: (-0.09 -0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -0.776 0.585 12.683) 12.720 1.763 ( 1.497 -1.185 2.043) 2.796 2.104 ( 0.011 0.108 14.286) 14.286 2.675 ( -4.517 1.411 2.401) 5.307 2.807 ( -5.937 -4.135 5.743) 9.237 2.874 ( 1.476 -1.370 -5.355) 5.721 3.700 ( -4.255 6.841 3.399) 8.744 4.002 ( -6.956 -0.242 6.304) 9.390 4.462 ( -0.103 -0.658 6.920) 6.952 4.700 ( 16.064 -4.565 -15.088) 22.506 5.541 ( -9.046 -0.824 -3.621) 9.778 5.947 ( -7.739 -1.485 -10.211) 12.898 6.648 ( -1.972 -0.379 3.169) 3.752 7.608 ( -0.885 0.917 3.729) 3.941 8.160 ( 13.215 -0.450 -7.621) 15.262 8.498 ( -8.296 1.320 14.693) 16.924 11.456 ( 6.268 -0.807 0.726) 6.361 12.137 ( -1.323 1.238 -4.279) 4.647 13.267 ( 4.825 -0.252 2.473) 5.428 13.860 ( 24.482 4.829 4.202) 25.305 16.470 ( 6.951 2.114 -9.801) 12.200 17.033 ( -7.809 8.408 -3.335) 11.949 17.270 ( -7.059 -9.372 -1.847) 11.877 18.112 ( -33.632 -4.933 -13.855) 36.707 ======================= Grid point 731 (366/366) ======================= q-point: (-0.09 -0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 0.198 -0.000 15.522) 15.523 1.799 ( 2.221 -0.000 4.263) 4.806 2.263 ( 4.942 -0.000 8.399) 9.745 2.569 ( -8.130 0.000 -5.502) 9.816 2.767 ( -5.407 0.000 5.607) 7.789 2.878 ( 2.137 -0.000 0.410) 2.176 3.767 ( 0.779 -0.000 4.077) 4.151 3.968 ( -8.598 0.000 8.537) 12.116 4.516 ( -2.384 0.000 6.875) 7.277 4.706 ( 16.247 -0.000 -17.717) 24.039 5.389 ( -7.206 0.000 -5.292) 8.940 5.730 ( -9.371 0.000 -10.175) 13.833 6.710 ( 1.212 -0.000 10.410) 10.480 7.580 ( -4.579 0.000 -2.519) 5.226 8.295 ( 17.602 -0.000 -4.794) 18.243 8.525 ( -11.364 0.000 14.018) 18.045 11.552 ( 7.435 -0.000 2.361) 7.801 12.073 ( -4.003 0.000 -3.802) 5.521 13.380 ( 6.044 -0.000 7.447) 9.591 14.199 ( 24.973 -0.000 -5.980) 25.679 16.484 ( 8.865 -0.000 -10.368) 13.641 16.905 ( -16.730 0.000 -11.210) 20.138 17.087 ( -7.640 0.000 2.455) 8.025 17.557 ( -31.437 0.000 -4.699) 31.786 =================== 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 3/31944 10.0 77.705 43.071 102.595 0.000 -12.073 0.000 3/31944 20.0 20.927 8.599 37.296 0.000 -1.241 0.000 3/31944 30.0 9.156 3.772 17.605 0.000 -0.343 0.000 3/31944 40.0 5.508 2.304 10.773 0.000 -0.245 0.000 3/31944 50.0 3.925 1.662 7.681 0.000 -0.224 0.000 3/31944 60.0 3.082 1.314 6.000 0.000 -0.216 0.000 3/31944 70.0 2.570 1.097 4.968 0.000 -0.215 0.000 3/31944 80.0 2.231 0.949 4.278 0.000 -0.217 0.000 3/31944 90.0 1.991 0.842 3.786 0.000 -0.221 0.000 3/31944 100.0 1.814 0.762 3.417 0.000 -0.224 0.000 3/31944 110.0 1.679 0.701 3.130 0.000 -0.226 0.000 3/31944 120.0 1.572 0.653 2.898 0.000 -0.226 0.000 3/31944 130.0 1.486 0.615 2.708 0.000 -0.225 0.000 3/31944 140.0 1.415 0.584 2.547 0.000 -0.222 0.000 3/31944 150.0 1.356 0.559 2.410 0.000 -0.217 0.000 3/31944 160.0 1.304 0.538 2.291 0.000 -0.212 0.000 3/31944 170.0 1.259 0.520 2.185 0.000 -0.206 0.000 3/31944 180.0 1.219 0.505 2.091 0.000 -0.200 0.000 3/31944 190.0 1.183 0.491 2.007 0.000 -0.193 0.000 3/31944 200.0 1.150 0.479 1.930 0.000 -0.186 0.000 3/31944 210.0 1.119 0.468 1.860 0.000 -0.179 0.000 3/31944 220.0 1.091 0.457 1.796 0.000 -0.173 0.000 3/31944 230.0 1.063 0.448 1.736 0.000 -0.166 0.000 3/31944 240.0 1.038 0.438 1.681 0.000 -0.160 0.000 3/31944 250.0 1.013 0.429 1.629 0.000 -0.154 0.000 3/31944 260.0 0.990 0.421 1.580 0.000 -0.148 0.000 3/31944 270.0 0.967 0.413 1.534 0.000 -0.142 0.000 3/31944 280.0 0.946 0.405 1.491 0.000 -0.137 0.000 3/31944 290.0 0.925 0.397 1.451 0.000 -0.132 0.000 3/31944 300.0 0.905 0.389 1.412 0.000 -0.127 0.000 3/31944 310.0 0.886 0.382 1.375 0.000 -0.123 0.000 3/31944 320.0 0.867 0.375 1.341 0.000 -0.119 0.000 3/31944 330.0 0.849 0.368 1.307 0.000 -0.115 0.000 3/31944 340.0 0.832 0.361 1.276 0.000 -0.111 0.000 3/31944 350.0 0.815 0.355 1.246 0.000 -0.107 0.000 3/31944 360.0 0.799 0.348 1.217 0.000 -0.104 0.000 3/31944 370.0 0.783 0.342 1.189 0.000 -0.101 0.000 3/31944 380.0 0.768 0.336 1.163 0.000 -0.098 0.000 3/31944 390.0 0.754 0.330 1.138 0.000 -0.095 0.000 3/31944 400.0 0.739 0.325 1.113 0.000 -0.092 0.000 3/31944 410.0 0.726 0.319 1.090 0.000 -0.090 0.000 3/31944 420.0 0.712 0.314 1.068 0.000 -0.087 0.000 3/31944 430.0 0.700 0.308 1.046 0.000 -0.085 0.000 3/31944 440.0 0.687 0.303 1.026 0.000 -0.082 0.000 3/31944 450.0 0.675 0.298 1.006 0.000 -0.080 0.000 3/31944 460.0 0.663 0.293 0.986 0.000 -0.078 0.000 3/31944 470.0 0.652 0.288 0.968 0.000 -0.076 0.000 3/31944 480.0 0.641 0.284 0.950 0.000 -0.075 0.000 3/31944 490.0 0.630 0.279 0.933 0.000 -0.073 0.000 3/31944 500.0 0.620 0.275 0.916 0.000 -0.071 0.000 3/31944 510.0 0.610 0.271 0.900 0.000 -0.070 0.000 3/31944 520.0 0.600 0.267 0.884 0.000 -0.068 0.000 3/31944 530.0 0.590 0.263 0.869 0.000 -0.067 0.000 3/31944 540.0 0.581 0.259 0.855 0.000 -0.065 0.000 3/31944 550.0 0.572 0.255 0.841 0.000 -0.064 0.000 3/31944 560.0 0.563 0.251 0.827 0.000 -0.062 0.000 3/31944 570.0 0.555 0.247 0.814 0.000 -0.061 0.000 3/31944 580.0 0.546 0.244 0.801 0.000 -0.060 0.000 3/31944 590.0 0.538 0.240 0.788 0.000 -0.059 0.000 3/31944 600.0 0.531 0.237 0.776 0.000 -0.058 0.000 3/31944 610.0 0.523 0.234 0.765 0.000 -0.057 0.000 3/31944 620.0 0.516 0.231 0.753 0.000 -0.056 0.000 3/31944 630.0 0.508 0.228 0.742 0.000 -0.055 0.000 3/31944 640.0 0.501 0.224 0.731 0.000 -0.054 0.000 3/31944 650.0 0.494 0.221 0.721 0.000 -0.053 0.000 3/31944 660.0 0.488 0.219 0.711 0.000 -0.052 0.000 3/31944 670.0 0.481 0.216 0.701 0.000 -0.051 0.000 3/31944 680.0 0.475 0.213 0.691 0.000 -0.050 0.000 3/31944 690.0 0.469 0.210 0.682 0.000 -0.049 0.000 3/31944 700.0 0.463 0.208 0.673 0.000 -0.049 0.000 3/31944 710.0 0.457 0.205 0.664 0.000 -0.048 0.000 3/31944 720.0 0.451 0.203 0.655 0.000 -0.047 0.000 3/31944 730.0 0.445 0.200 0.647 0.000 -0.046 0.000 3/31944 740.0 0.440 0.198 0.638 0.000 -0.046 0.000 3/31944 750.0 0.435 0.195 0.630 0.000 -0.045 0.000 3/31944 760.0 0.429 0.193 0.622 0.000 -0.044 0.000 3/31944 770.0 0.424 0.191 0.615 0.000 -0.044 0.000 3/31944 780.0 0.419 0.189 0.607 0.000 -0.043 0.000 3/31944 790.0 0.414 0.186 0.600 0.000 -0.042 0.000 3/31944 800.0 0.410 0.184 0.593 0.000 -0.042 0.000 3/31944 810.0 0.405 0.182 0.586 0.000 -0.041 0.000 3/31944 820.0 0.400 0.180 0.579 0.000 -0.041 0.000 3/31944 830.0 0.396 0.178 0.572 0.000 -0.040 0.000 3/31944 840.0 0.391 0.176 0.566 0.000 -0.040 0.000 3/31944 850.0 0.387 0.174 0.559 0.000 -0.039 0.000 3/31944 860.0 0.383 0.173 0.553 0.000 -0.039 0.000 3/31944 870.0 0.379 0.171 0.547 0.000 -0.038 0.000 3/31944 880.0 0.375 0.169 0.541 0.000 -0.038 0.000 3/31944 890.0 0.371 0.167 0.535 0.000 -0.037 0.000 3/31944 900.0 0.367 0.166 0.530 0.000 -0.037 0.000 3/31944 910.0 0.363 0.164 0.524 0.000 -0.036 0.000 3/31944 920.0 0.360 0.162 0.519 0.000 -0.036 0.000 3/31944 930.0 0.356 0.161 0.513 0.000 -0.036 0.000 3/31944 940.0 0.352 0.159 0.508 0.000 -0.035 0.000 3/31944 950.0 0.349 0.157 0.503 0.000 -0.035 0.000 3/31944 960.0 0.345 0.156 0.498 0.000 -0.034 0.000 3/31944 970.0 0.342 0.154 0.493 0.000 -0.034 0.000 3/31944 980.0 0.339 0.153 0.488 0.000 -0.034 0.000 3/31944 990.0 0.335 0.151 0.483 0.000 -0.033 0.000 3/31944 1000.0 0.332 0.150 0.478 0.000 -0.033 0.000 3/31944 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:27:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|