----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:45:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.666310270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.485569969999999 0.000000000000000 c 0.000000000000000 0.000000000000000 3.562832269999999 Atomic positions (fractional): *1 O 0.86426764808227 0.75000000000000 0.08739439775277 15.999 2 O 0.63573235191773 0.25000000000000 0.58739439775277 15.999 3 O 0.13573235191773 0.25000000000000 0.91260560224723 15.999 4 O 0.36426764808227 0.75000000000000 0.41260560224723 15.999 *5 Hg 0.61629313066172 0.75000000000000 0.74607309983143 200.590 6 Hg 0.88370686933828 0.25000000000000 0.24607309983144 200.590 7 Hg 0.38370686933828 0.25000000000000 0.25392690016857 200.590 8 Hg 0.11629313066173 0.75000000000000 0.75392690016857 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.666310270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.485569969999999 0.000000000000000 c 0.000000000000000 0.000000000000000 3.562832269999999 Atomic positions (fractional): *1 O 0.86426764808227 0.75000000000000 0.08739439775277 15.999 > 1 2 O 0.63573235191773 0.25000000000000 0.58739439775277 15.999 > 2 3 O 0.13573235191773 0.25000000000000 0.91260560224723 15.999 > 3 4 O 0.36426764808227 0.75000000000000 0.41260560224723 15.999 > 4 *5 Hg 0.61629313066172 0.75000000000000 0.74607309983143 200.590 > 5 6 Hg 0.88370686933828 0.25000000000000 0.24607309983144 200.590 > 6 7 Hg 0.38370686933828 0.25000000000000 0.25392690016857 200.590 > 7 8 Hg 0.11629313066173 0.75000000000000 0.75392690016857 200.590 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.332620540000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.971139939999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.251329079999996 Atomic positions (fractional): *1 O 0.43213382404114 0.37500000000000 0.02184859943819 15.999 > 1 2 O 0.93213382404114 0.37500000000000 0.02184859943819 15.999 > 1 3 O 0.43213382404114 0.87500000000000 0.02184859943819 15.999 > 1 4 O 0.93213382404114 0.87500000000000 0.02184859943819 15.999 > 1 5 O 0.43213382404114 0.37500000000000 0.27184859943819 15.999 > 1 6 O 0.93213382404114 0.37500000000000 0.27184859943819 15.999 > 1 7 O 0.43213382404114 0.87500000000000 0.27184859943819 15.999 > 1 8 O 0.93213382404114 0.87500000000000 0.27184859943819 15.999 > 1 9 O 0.43213382404114 0.37500000000000 0.52184859943819 15.999 > 1 10 O 0.93213382404114 0.37500000000000 0.52184859943819 15.999 > 1 11 O 0.43213382404114 0.87500000000000 0.52184859943819 15.999 > 1 12 O 0.93213382404114 0.87500000000000 0.52184859943819 15.999 > 1 13 O 0.43213382404114 0.37500000000000 0.77184859943819 15.999 > 1 14 O 0.93213382404114 0.37500000000000 0.77184859943819 15.999 > 1 15 O 0.43213382404114 0.87500000000000 0.77184859943819 15.999 > 1 16 O 0.93213382404114 0.87500000000000 0.77184859943819 15.999 > 1 17 O 0.31786617595886 0.12500000000000 0.14684859943819 15.999 > 2 18 O 0.81786617595886 0.12500000000000 0.14684859943819 15.999 > 2 19 O 0.31786617595886 0.62500000000000 0.14684859943819 15.999 > 2 20 O 0.81786617595886 0.62500000000000 0.14684859943819 15.999 > 2 21 O 0.31786617595886 0.12500000000000 0.39684859943819 15.999 > 2 22 O 0.81786617595886 0.12500000000000 0.39684859943819 15.999 > 2 23 O 0.31786617595886 0.62500000000000 0.39684859943819 15.999 > 2 24 O 0.81786617595886 0.62500000000000 0.39684859943819 15.999 > 2 25 O 0.31786617595886 0.12500000000000 0.64684859943819 15.999 > 2 26 O 0.81786617595886 0.12500000000000 0.64684859943819 15.999 > 2 27 O 0.31786617595886 0.62500000000000 0.64684859943819 15.999 > 2 28 O 0.81786617595886 0.62500000000000 0.64684859943819 15.999 > 2 29 O 0.31786617595886 0.12500000000000 0.89684859943819 15.999 > 2 30 O 0.81786617595886 0.12500000000000 0.89684859943819 15.999 > 2 31 O 0.31786617595886 0.62500000000000 0.89684859943819 15.999 > 2 32 O 0.81786617595886 0.62500000000000 0.89684859943819 15.999 > 2 33 O 0.06786617595886 0.12500000000000 0.22815140056181 15.999 > 3 34 O 0.56786617595886 0.12500000000000 0.22815140056181 15.999 > 3 35 O 0.06786617595886 0.62500000000000 0.22815140056181 15.999 > 3 36 O 0.56786617595886 0.62500000000000 0.22815140056181 15.999 > 3 37 O 0.06786617595886 0.12500000000000 0.47815140056181 15.999 > 3 38 O 0.56786617595886 0.12500000000000 0.47815140056181 15.999 > 3 39 O 0.06786617595886 0.62500000000000 0.47815140056181 15.999 > 3 40 O 0.56786617595886 0.62500000000000 0.47815140056181 15.999 > 3 41 O 0.06786617595886 0.12500000000000 0.72815140056181 15.999 > 3 42 O 0.56786617595886 0.12500000000000 0.72815140056181 15.999 > 3 43 O 0.06786617595886 0.62500000000000 0.72815140056181 15.999 > 3 44 O 0.56786617595886 0.62500000000000 0.72815140056181 15.999 > 3 45 O 0.06786617595886 0.12500000000000 0.97815140056181 15.999 > 3 46 O 0.56786617595886 0.12500000000000 0.97815140056181 15.999 > 3 47 O 0.06786617595886 0.62500000000000 0.97815140056181 15.999 > 3 48 O 0.56786617595886 0.62500000000000 0.97815140056181 15.999 > 3 49 O 0.18213382404114 0.37500000000000 0.10315140056181 15.999 > 4 50 O 0.68213382404114 0.37500000000000 0.10315140056181 15.999 > 4 51 O 0.18213382404114 0.87500000000000 0.10315140056181 15.999 > 4 52 O 0.68213382404114 0.87500000000000 0.10315140056181 15.999 > 4 53 O 0.18213382404114 0.37500000000000 0.35315140056181 15.999 > 4 54 O 0.68213382404114 0.37500000000000 0.35315140056181 15.999 > 4 55 O 0.18213382404114 0.87500000000000 0.35315140056181 15.999 > 4 56 O 0.68213382404114 0.87500000000000 0.35315140056181 15.999 > 4 57 O 0.18213382404114 0.37500000000000 0.60315140056181 15.999 > 4 58 O 0.68213382404114 0.37500000000000 0.60315140056181 15.999 > 4 59 O 0.18213382404114 0.87500000000000 0.60315140056181 15.999 > 4 60 O 0.68213382404114 0.87500000000000 0.60315140056181 15.999 > 4 61 O 0.18213382404114 0.37500000000000 0.85315140056181 15.999 > 4 62 O 0.68213382404114 0.37500000000000 0.85315140056181 15.999 > 4 63 O 0.18213382404114 0.87500000000000 0.85315140056181 15.999 > 4 64 O 0.68213382404114 0.87500000000000 0.85315140056181 15.999 > 4 *65 Hg 0.30814656533086 0.37500000000000 0.18651827495786 200.590 > 5 66 Hg 0.80814656533086 0.37500000000000 0.18651827495786 200.590 > 5 67 Hg 0.30814656533086 0.87500000000000 0.18651827495786 200.590 > 5 68 Hg 0.80814656533086 0.87500000000000 0.18651827495786 200.590 > 5 69 Hg 0.30814656533086 0.37500000000000 0.43651827495786 200.590 > 5 70 Hg 0.80814656533086 0.37500000000000 0.43651827495786 200.590 > 5 71 Hg 0.30814656533086 0.87500000000000 0.43651827495786 200.590 > 5 72 Hg 0.80814656533086 0.87500000000000 0.43651827495786 200.590 > 5 73 Hg 0.30814656533086 0.37500000000000 0.68651827495786 200.590 > 5 74 Hg 0.80814656533086 0.37500000000000 0.68651827495786 200.590 > 5 75 Hg 0.30814656533086 0.87500000000000 0.68651827495786 200.590 > 5 76 Hg 0.80814656533086 0.87500000000000 0.68651827495786 200.590 > 5 77 Hg 0.30814656533086 0.37500000000000 0.93651827495786 200.590 > 5 78 Hg 0.80814656533086 0.37500000000000 0.93651827495786 200.590 > 5 79 Hg 0.30814656533086 0.87500000000000 0.93651827495786 200.590 > 5 80 Hg 0.80814656533086 0.87500000000000 0.93651827495786 200.590 > 5 81 Hg 0.44185343466914 0.12500000000000 0.06151827495786 200.590 > 6 82 Hg 0.94185343466914 0.12500000000000 0.06151827495786 200.590 > 6 83 Hg 0.44185343466914 0.62500000000000 0.06151827495786 200.590 > 6 84 Hg 0.94185343466914 0.62500000000000 0.06151827495786 200.590 > 6 85 Hg 0.44185343466914 0.12500000000000 0.31151827495786 200.590 > 6 86 Hg 0.94185343466914 0.12500000000000 0.31151827495786 200.590 > 6 87 Hg 0.44185343466914 0.62500000000000 0.31151827495786 200.590 > 6 88 Hg 0.94185343466914 0.62500000000000 0.31151827495786 200.590 > 6 89 Hg 0.44185343466914 0.12500000000000 0.56151827495786 200.590 > 6 90 Hg 0.94185343466914 0.12500000000000 0.56151827495786 200.590 > 6 91 Hg 0.44185343466914 0.62500000000000 0.56151827495786 200.590 > 6 92 Hg 0.94185343466914 0.62500000000000 0.56151827495786 200.590 > 6 93 Hg 0.44185343466914 0.12500000000000 0.81151827495786 200.590 > 6 94 Hg 0.94185343466914 0.12500000000000 0.81151827495786 200.590 > 6 95 Hg 0.44185343466914 0.62500000000000 0.81151827495786 200.590 > 6 96 Hg 0.94185343466914 0.62500000000000 0.81151827495786 200.590 > 6 97 Hg 0.19185343466914 0.12500000000000 0.06348172504214 200.590 > 7 98 Hg 0.69185343466914 0.12500000000000 0.06348172504214 200.590 > 7 99 Hg 0.19185343466914 0.62500000000000 0.06348172504214 200.590 > 7 100 Hg 0.69185343466914 0.62500000000000 0.06348172504214 200.590 > 7 101 Hg 0.19185343466914 0.12500000000000 0.31348172504214 200.590 > 7 102 Hg 0.69185343466914 0.12500000000000 0.31348172504214 200.590 > 7 103 Hg 0.19185343466914 0.62500000000000 0.31348172504214 200.590 > 7 104 Hg 0.69185343466914 0.62500000000000 0.31348172504214 200.590 > 7 105 Hg 0.19185343466914 0.12500000000000 0.56348172504214 200.590 > 7 106 Hg 0.69185343466914 0.12500000000000 0.56348172504214 200.590 > 7 107 Hg 0.19185343466914 0.62500000000000 0.56348172504214 200.590 > 7 108 Hg 0.69185343466914 0.62500000000000 0.56348172504214 200.590 > 7 109 Hg 0.19185343466914 0.12500000000000 0.81348172504214 200.590 > 7 110 Hg 0.69185343466914 0.12500000000000 0.81348172504214 200.590 > 7 111 Hg 0.19185343466914 0.62500000000000 0.81348172504214 200.590 > 7 112 Hg 0.69185343466914 0.62500000000000 0.81348172504214 200.590 > 7 113 Hg 0.05814656533086 0.37500000000000 0.18848172504214 200.590 > 8 114 Hg 0.55814656533086 0.37500000000000 0.18848172504214 200.590 > 8 115 Hg 0.05814656533086 0.87500000000000 0.18848172504214 200.590 > 8 116 Hg 0.55814656533086 0.87500000000000 0.18848172504214 200.590 > 8 117 Hg 0.05814656533086 0.37500000000000 0.43848172504214 200.590 > 8 118 Hg 0.55814656533086 0.37500000000000 0.43848172504214 200.590 > 8 119 Hg 0.05814656533086 0.87500000000000 0.43848172504214 200.590 > 8 120 Hg 0.55814656533086 0.87500000000000 0.43848172504214 200.590 > 8 121 Hg 0.05814656533086 0.37500000000000 0.68848172504214 200.590 > 8 122 Hg 0.55814656533086 0.37500000000000 0.68848172504214 200.590 > 8 123 Hg 0.05814656533086 0.87500000000000 0.68848172504214 200.590 > 8 124 Hg 0.55814656533086 0.87500000000000 0.68848172504214 200.590 > 8 125 Hg 0.05814656533086 0.37500000000000 0.93848172504214 200.590 > 8 126 Hg 0.55814656533086 0.37500000000000 0.93848172504214 200.590 > 8 127 Hg 0.05814656533086 0.87500000000000 0.93848172504214 200.590 > 8 128 Hg 0.55814656533086 0.87500000000000 0.93848172504214 200.590 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.5853924 0.0000000 0.0000000 0.0000000 5.6302986 0.0000000 0.0000000 0.0000000 6.0036546 -------------------------- Born effective charges -------------------------- 1 O -2.5684034 0.0000000 0.0259511 0.0000000 -1.6372820 0.0000000 -0.1384767 0.0000000 -1.6573096 2 O -2.5684034 0.0000000 -0.0259511 0.0000000 -1.6372820 0.0000000 0.1384767 0.0000000 -1.6573096 3 O -2.5684034 0.0000000 0.0259511 0.0000000 -1.6372820 0.0000000 -0.1384767 0.0000000 -1.6573096 4 O -2.5684034 0.0000000 -0.0259511 0.0000000 -1.6372820 0.0000000 0.1384767 0.0000000 -1.6573096 5 Hg 2.5684034 0.0000000 0.8939301 0.0000000 1.6372820 0.0000000 0.3555140 0.0000000 1.6573096 6 Hg 2.5684034 0.0000000 -0.8939301 0.0000000 1.6372820 0.0000000 -0.3555140 0.0000000 1.6573096 7 Hg 2.5684034 0.0000000 0.8939301 0.0000000 1.6372820 0.0000000 0.3555140 0.0000000 1.6573096 8 Hg 2.5684034 0.0000000 -0.8939301 0.0000000 1.6372820 0.0000000 -0.3555140 0.0000000 1.6573096 ---------------------------------------------------------------------------- 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: 5136/5136 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 656 Number of blocks in projector: 656 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: 192 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 64 Use standard eigh solver. Tree of FC basis block matrices: - (656, 646), data: False |-- (64, 64), data: True |-- (64, 64), data: True |-- (112, 110), data: True |-- (112, 110), data: True |-- (112, 110), data: True |-- (192, 188), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 160 - Time: 0.638 Solver_block: 160 / 160 - Time: 0.423 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.110 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 5136/5136 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 656 Number of blocks in projector: 656 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: 192 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 64 Use standard eigh solver. Tree of FC basis block matrices: - (656, 646), data: False |-- (64, 64), data: True |-- (64, 64), data: True |-- (112, 110), data: True |-- (112, 110), data: True |-- (112, 110), data: True |-- (192, 188), 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 2026-01-07 18:45:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:45:44]------------------------- 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 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.666310270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.485569969999999 0.000000000000000 c 0.000000000000000 0.000000000000000 3.562832269999999 Atomic positions (fractional): 1 O 0.86426764808227 0.75000000000000 0.08739439775277 15.999 2 O 0.63573235191773 0.25000000000000 0.58739439775277 15.999 3 O 0.13573235191773 0.25000000000000 0.91260560224723 15.999 4 O 0.36426764808227 0.75000000000000 0.41260560224723 15.999 5 Hg 0.61629313066172 0.75000000000000 0.74607309983143 200.590 6 Hg 0.88370686933828 0.25000000000000 0.24607309983144 200.590 7 Hg 0.38370686933828 0.25000000000000 0.25392690016857 200.590 8 Hg 0.11629313066173 0.75000000000000 0.75392690016857 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.332620540000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.971139939999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.251329079999996 Atomic positions (fractional): 1 O 0.43213382404114 0.37500000000000 0.02184859943819 15.999 > 1 2 O 0.93213382404114 0.37500000000000 0.02184859943819 15.999 > 1 3 O 0.43213382404114 0.87500000000000 0.02184859943819 15.999 > 1 4 O 0.93213382404114 0.87500000000000 0.02184859943819 15.999 > 1 5 O 0.43213382404114 0.37500000000000 0.27184859943819 15.999 > 1 6 O 0.93213382404114 0.37500000000000 0.27184859943819 15.999 > 1 7 O 0.43213382404114 0.87500000000000 0.27184859943819 15.999 > 1 8 O 0.93213382404114 0.87500000000000 0.27184859943819 15.999 > 1 9 O 0.43213382404114 0.37500000000000 0.52184859943819 15.999 > 1 10 O 0.93213382404114 0.37500000000000 0.52184859943819 15.999 > 1 11 O 0.43213382404114 0.87500000000000 0.52184859943819 15.999 > 1 12 O 0.93213382404114 0.87500000000000 0.52184859943819 15.999 > 1 13 O 0.43213382404114 0.37500000000000 0.77184859943819 15.999 > 1 14 O 0.93213382404114 0.37500000000000 0.77184859943819 15.999 > 1 15 O 0.43213382404114 0.87500000000000 0.77184859943819 15.999 > 1 16 O 0.93213382404114 0.87500000000000 0.77184859943819 15.999 > 1 17 O 0.31786617595886 0.12500000000000 0.14684859943819 15.999 > 17 18 O 0.81786617595886 0.12500000000000 0.14684859943819 15.999 > 17 19 O 0.31786617595886 0.62500000000000 0.14684859943819 15.999 > 17 20 O 0.81786617595886 0.62500000000000 0.14684859943819 15.999 > 17 21 O 0.31786617595886 0.12500000000000 0.39684859943819 15.999 > 17 22 O 0.81786617595886 0.12500000000000 0.39684859943819 15.999 > 17 23 O 0.31786617595886 0.62500000000000 0.39684859943819 15.999 > 17 24 O 0.81786617595886 0.62500000000000 0.39684859943819 15.999 > 17 25 O 0.31786617595886 0.12500000000000 0.64684859943819 15.999 > 17 26 O 0.81786617595886 0.12500000000000 0.64684859943819 15.999 > 17 27 O 0.31786617595886 0.62500000000000 0.64684859943819 15.999 > 17 28 O 0.81786617595886 0.62500000000000 0.64684859943819 15.999 > 17 29 O 0.31786617595886 0.12500000000000 0.89684859943819 15.999 > 17 30 O 0.81786617595886 0.12500000000000 0.89684859943819 15.999 > 17 31 O 0.31786617595886 0.62500000000000 0.89684859943819 15.999 > 17 32 O 0.81786617595886 0.62500000000000 0.89684859943819 15.999 > 17 33 O 0.06786617595886 0.12500000000000 0.22815140056181 15.999 > 33 34 O 0.56786617595886 0.12500000000000 0.22815140056181 15.999 > 33 35 O 0.06786617595886 0.62500000000000 0.22815140056181 15.999 > 33 36 O 0.56786617595886 0.62500000000000 0.22815140056181 15.999 > 33 37 O 0.06786617595886 0.12500000000000 0.47815140056181 15.999 > 33 38 O 0.56786617595886 0.12500000000000 0.47815140056181 15.999 > 33 39 O 0.06786617595886 0.62500000000000 0.47815140056181 15.999 > 33 40 O 0.56786617595886 0.62500000000000 0.47815140056181 15.999 > 33 41 O 0.06786617595886 0.12500000000000 0.72815140056181 15.999 > 33 42 O 0.56786617595886 0.12500000000000 0.72815140056181 15.999 > 33 43 O 0.06786617595886 0.62500000000000 0.72815140056181 15.999 > 33 44 O 0.56786617595886 0.62500000000000 0.72815140056181 15.999 > 33 45 O 0.06786617595886 0.12500000000000 0.97815140056181 15.999 > 33 46 O 0.56786617595886 0.12500000000000 0.97815140056181 15.999 > 33 47 O 0.06786617595886 0.62500000000000 0.97815140056181 15.999 > 33 48 O 0.56786617595886 0.62500000000000 0.97815140056181 15.999 > 33 49 O 0.18213382404114 0.37500000000000 0.10315140056181 15.999 > 49 50 O 0.68213382404114 0.37500000000000 0.10315140056181 15.999 > 49 51 O 0.18213382404114 0.87500000000000 0.10315140056181 15.999 > 49 52 O 0.68213382404114 0.87500000000000 0.10315140056181 15.999 > 49 53 O 0.18213382404114 0.37500000000000 0.35315140056181 15.999 > 49 54 O 0.68213382404114 0.37500000000000 0.35315140056181 15.999 > 49 55 O 0.18213382404114 0.87500000000000 0.35315140056181 15.999 > 49 56 O 0.68213382404114 0.87500000000000 0.35315140056181 15.999 > 49 57 O 0.18213382404114 0.37500000000000 0.60315140056181 15.999 > 49 58 O 0.68213382404114 0.37500000000000 0.60315140056181 15.999 > 49 59 O 0.18213382404114 0.87500000000000 0.60315140056181 15.999 > 49 60 O 0.68213382404114 0.87500000000000 0.60315140056181 15.999 > 49 61 O 0.18213382404114 0.37500000000000 0.85315140056181 15.999 > 49 62 O 0.68213382404114 0.37500000000000 0.85315140056181 15.999 > 49 63 O 0.18213382404114 0.87500000000000 0.85315140056181 15.999 > 49 64 O 0.68213382404114 0.87500000000000 0.85315140056181 15.999 > 49 65 Hg 0.30814656533086 0.37500000000000 0.18651827495786 200.590 > 65 66 Hg 0.80814656533086 0.37500000000000 0.18651827495786 200.590 > 65 67 Hg 0.30814656533086 0.87500000000000 0.18651827495786 200.590 > 65 68 Hg 0.80814656533086 0.87500000000000 0.18651827495786 200.590 > 65 69 Hg 0.30814656533086 0.37500000000000 0.43651827495786 200.590 > 65 70 Hg 0.80814656533086 0.37500000000000 0.43651827495786 200.590 > 65 71 Hg 0.30814656533086 0.87500000000000 0.43651827495786 200.590 > 65 72 Hg 0.80814656533086 0.87500000000000 0.43651827495786 200.590 > 65 73 Hg 0.30814656533086 0.37500000000000 0.68651827495786 200.590 > 65 74 Hg 0.80814656533086 0.37500000000000 0.68651827495786 200.590 > 65 75 Hg 0.30814656533086 0.87500000000000 0.68651827495786 200.590 > 65 76 Hg 0.80814656533086 0.87500000000000 0.68651827495786 200.590 > 65 77 Hg 0.30814656533086 0.37500000000000 0.93651827495786 200.590 > 65 78 Hg 0.80814656533086 0.37500000000000 0.93651827495786 200.590 > 65 79 Hg 0.30814656533086 0.87500000000000 0.93651827495786 200.590 > 65 80 Hg 0.80814656533086 0.87500000000000 0.93651827495786 200.590 > 65 81 Hg 0.44185343466914 0.12500000000000 0.06151827495786 200.590 > 81 82 Hg 0.94185343466914 0.12500000000000 0.06151827495786 200.590 > 81 83 Hg 0.44185343466914 0.62500000000000 0.06151827495786 200.590 > 81 84 Hg 0.94185343466914 0.62500000000000 0.06151827495786 200.590 > 81 85 Hg 0.44185343466914 0.12500000000000 0.31151827495786 200.590 > 81 86 Hg 0.94185343466914 0.12500000000000 0.31151827495786 200.590 > 81 87 Hg 0.44185343466914 0.62500000000000 0.31151827495786 200.590 > 81 88 Hg 0.94185343466914 0.62500000000000 0.31151827495786 200.590 > 81 89 Hg 0.44185343466914 0.12500000000000 0.56151827495786 200.590 > 81 90 Hg 0.94185343466914 0.12500000000000 0.56151827495786 200.590 > 81 91 Hg 0.44185343466914 0.62500000000000 0.56151827495786 200.590 > 81 92 Hg 0.94185343466914 0.62500000000000 0.56151827495786 200.590 > 81 93 Hg 0.44185343466914 0.12500000000000 0.81151827495786 200.590 > 81 94 Hg 0.94185343466914 0.12500000000000 0.81151827495786 200.590 > 81 95 Hg 0.44185343466914 0.62500000000000 0.81151827495786 200.590 > 81 96 Hg 0.94185343466914 0.62500000000000 0.81151827495786 200.590 > 81 97 Hg 0.19185343466914 0.12500000000000 0.06348172504214 200.590 > 97 98 Hg 0.69185343466914 0.12500000000000 0.06348172504214 200.590 > 97 99 Hg 0.19185343466914 0.62500000000000 0.06348172504214 200.590 > 97 100 Hg 0.69185343466914 0.62500000000000 0.06348172504214 200.590 > 97 101 Hg 0.19185343466914 0.12500000000000 0.31348172504214 200.590 > 97 102 Hg 0.69185343466914 0.12500000000000 0.31348172504214 200.590 > 97 103 Hg 0.19185343466914 0.62500000000000 0.31348172504214 200.590 > 97 104 Hg 0.69185343466914 0.62500000000000 0.31348172504214 200.590 > 97 105 Hg 0.19185343466914 0.12500000000000 0.56348172504214 200.590 > 97 106 Hg 0.69185343466914 0.12500000000000 0.56348172504214 200.590 > 97 107 Hg 0.19185343466914 0.62500000000000 0.56348172504214 200.590 > 97 108 Hg 0.69185343466914 0.62500000000000 0.56348172504214 200.590 > 97 109 Hg 0.19185343466914 0.12500000000000 0.81348172504214 200.590 > 97 110 Hg 0.69185343466914 0.12500000000000 0.81348172504214 200.590 > 97 111 Hg 0.19185343466914 0.62500000000000 0.81348172504214 200.590 > 97 112 Hg 0.69185343466914 0.62500000000000 0.81348172504214 200.590 > 97 113 Hg 0.05814656533086 0.37500000000000 0.18848172504214 200.590 > 113 114 Hg 0.55814656533086 0.37500000000000 0.18848172504214 200.590 > 113 115 Hg 0.05814656533086 0.87500000000000 0.18848172504214 200.590 > 113 116 Hg 0.55814656533086 0.87500000000000 0.18848172504214 200.590 > 113 117 Hg 0.05814656533086 0.37500000000000 0.43848172504214 200.590 > 113 118 Hg 0.55814656533086 0.37500000000000 0.43848172504214 200.590 > 113 119 Hg 0.05814656533086 0.87500000000000 0.43848172504214 200.590 > 113 120 Hg 0.55814656533086 0.87500000000000 0.43848172504214 200.590 > 113 121 Hg 0.05814656533086 0.37500000000000 0.68848172504214 200.590 > 113 122 Hg 0.55814656533086 0.37500000000000 0.68848172504214 200.590 > 113 123 Hg 0.05814656533086 0.87500000000000 0.68848172504214 200.590 > 113 124 Hg 0.55814656533086 0.87500000000000 0.68848172504214 200.590 > 113 125 Hg 0.05814656533086 0.37500000000000 0.93848172504214 200.590 > 113 126 Hg 0.55814656533086 0.37500000000000 0.93848172504214 200.590 > 113 127 Hg 0.05814656533086 0.87500000000000 0.93848172504214 200.590 > 113 128 Hg 0.55814656533086 0.87500000000000 0.93848172504214 200.590 > 113 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.5853924 0.0000000 0.0000000 0.0000000 5.6302986 0.0000000 0.0000000 0.0000000 6.0036546 -------------------------- Born effective charges -------------------------- 1 O -2.5684034 0.0000000 0.0259511 0.0000000 -1.6372820 0.0000000 -0.1384767 0.0000000 -1.6573096 2 O -2.5684034 0.0000000 -0.0259511 0.0000000 -1.6372820 0.0000000 0.1384767 0.0000000 -1.6573096 3 O -2.5684034 0.0000000 0.0259511 0.0000000 -1.6372820 0.0000000 -0.1384767 0.0000000 -1.6573096 4 O -2.5684034 0.0000000 -0.0259511 0.0000000 -1.6372820 0.0000000 0.1384767 0.0000000 -1.6573096 5 Hg 2.5684034 0.0000000 0.8939301 0.0000000 1.6372820 0.0000000 0.3555140 0.0000000 1.6573096 6 Hg 2.5684034 0.0000000 -0.8939301 0.0000000 1.6372820 0.0000000 -0.3555140 0.0000000 1.6573096 7 Hg 2.5684034 0.0000000 0.8939301 0.0000000 1.6372820 0.0000000 0.3555140 0.0000000 1.6573096 8 Hg 2.5684034 0.0000000 -0.8939301 0.0000000 1.6372820 0.0000000 -0.3555140 0.0000000 1.6573096 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (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 2026-01-07 18:45:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:45:54]------------------------- 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 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.666310270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.485569969999999 0.000000000000000 c 0.000000000000000 0.000000000000000 3.562832269999999 Atomic positions (fractional): 1 O 0.86426764808227 0.75000000000000 0.08739439775277 15.999 2 O 0.63573235191773 0.25000000000000 0.58739439775277 15.999 3 O 0.13573235191773 0.25000000000000 0.91260560224723 15.999 4 O 0.36426764808227 0.75000000000000 0.41260560224723 15.999 5 Hg 0.61629313066172 0.75000000000000 0.74607309983143 200.590 6 Hg 0.88370686933828 0.25000000000000 0.24607309983144 200.590 7 Hg 0.38370686933828 0.25000000000000 0.25392690016857 200.590 8 Hg 0.11629313066173 0.75000000000000 0.75392690016857 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.332620540000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.971139939999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.251329079999996 Atomic positions (fractional): 1 O 0.43213382404114 0.37500000000000 0.02184859943819 15.999 > 1 2 O 0.93213382404114 0.37500000000000 0.02184859943819 15.999 > 1 3 O 0.43213382404114 0.87500000000000 0.02184859943819 15.999 > 1 4 O 0.93213382404114 0.87500000000000 0.02184859943819 15.999 > 1 5 O 0.43213382404114 0.37500000000000 0.27184859943819 15.999 > 1 6 O 0.93213382404114 0.37500000000000 0.27184859943819 15.999 > 1 7 O 0.43213382404114 0.87500000000000 0.27184859943819 15.999 > 1 8 O 0.93213382404114 0.87500000000000 0.27184859943819 15.999 > 1 9 O 0.43213382404114 0.37500000000000 0.52184859943819 15.999 > 1 10 O 0.93213382404114 0.37500000000000 0.52184859943819 15.999 > 1 11 O 0.43213382404114 0.87500000000000 0.52184859943819 15.999 > 1 12 O 0.93213382404114 0.87500000000000 0.52184859943819 15.999 > 1 13 O 0.43213382404114 0.37500000000000 0.77184859943819 15.999 > 1 14 O 0.93213382404114 0.37500000000000 0.77184859943819 15.999 > 1 15 O 0.43213382404114 0.87500000000000 0.77184859943819 15.999 > 1 16 O 0.93213382404114 0.87500000000000 0.77184859943819 15.999 > 1 17 O 0.31786617595886 0.12500000000000 0.14684859943819 15.999 > 17 18 O 0.81786617595886 0.12500000000000 0.14684859943819 15.999 > 17 19 O 0.31786617595886 0.62500000000000 0.14684859943819 15.999 > 17 20 O 0.81786617595886 0.62500000000000 0.14684859943819 15.999 > 17 21 O 0.31786617595886 0.12500000000000 0.39684859943819 15.999 > 17 22 O 0.81786617595886 0.12500000000000 0.39684859943819 15.999 > 17 23 O 0.31786617595886 0.62500000000000 0.39684859943819 15.999 > 17 24 O 0.81786617595886 0.62500000000000 0.39684859943819 15.999 > 17 25 O 0.31786617595886 0.12500000000000 0.64684859943819 15.999 > 17 26 O 0.81786617595886 0.12500000000000 0.64684859943819 15.999 > 17 27 O 0.31786617595886 0.62500000000000 0.64684859943819 15.999 > 17 28 O 0.81786617595886 0.62500000000000 0.64684859943819 15.999 > 17 29 O 0.31786617595886 0.12500000000000 0.89684859943819 15.999 > 17 30 O 0.81786617595886 0.12500000000000 0.89684859943819 15.999 > 17 31 O 0.31786617595886 0.62500000000000 0.89684859943819 15.999 > 17 32 O 0.81786617595886 0.62500000000000 0.89684859943819 15.999 > 17 33 O 0.06786617595886 0.12500000000000 0.22815140056181 15.999 > 33 34 O 0.56786617595886 0.12500000000000 0.22815140056181 15.999 > 33 35 O 0.06786617595886 0.62500000000000 0.22815140056181 15.999 > 33 36 O 0.56786617595886 0.62500000000000 0.22815140056181 15.999 > 33 37 O 0.06786617595886 0.12500000000000 0.47815140056181 15.999 > 33 38 O 0.56786617595886 0.12500000000000 0.47815140056181 15.999 > 33 39 O 0.06786617595886 0.62500000000000 0.47815140056181 15.999 > 33 40 O 0.56786617595886 0.62500000000000 0.47815140056181 15.999 > 33 41 O 0.06786617595886 0.12500000000000 0.72815140056181 15.999 > 33 42 O 0.56786617595886 0.12500000000000 0.72815140056181 15.999 > 33 43 O 0.06786617595886 0.62500000000000 0.72815140056181 15.999 > 33 44 O 0.56786617595886 0.62500000000000 0.72815140056181 15.999 > 33 45 O 0.06786617595886 0.12500000000000 0.97815140056181 15.999 > 33 46 O 0.56786617595886 0.12500000000000 0.97815140056181 15.999 > 33 47 O 0.06786617595886 0.62500000000000 0.97815140056181 15.999 > 33 48 O 0.56786617595886 0.62500000000000 0.97815140056181 15.999 > 33 49 O 0.18213382404114 0.37500000000000 0.10315140056181 15.999 > 49 50 O 0.68213382404114 0.37500000000000 0.10315140056181 15.999 > 49 51 O 0.18213382404114 0.87500000000000 0.10315140056181 15.999 > 49 52 O 0.68213382404114 0.87500000000000 0.10315140056181 15.999 > 49 53 O 0.18213382404114 0.37500000000000 0.35315140056181 15.999 > 49 54 O 0.68213382404114 0.37500000000000 0.35315140056181 15.999 > 49 55 O 0.18213382404114 0.87500000000000 0.35315140056181 15.999 > 49 56 O 0.68213382404114 0.87500000000000 0.35315140056181 15.999 > 49 57 O 0.18213382404114 0.37500000000000 0.60315140056181 15.999 > 49 58 O 0.68213382404114 0.37500000000000 0.60315140056181 15.999 > 49 59 O 0.18213382404114 0.87500000000000 0.60315140056181 15.999 > 49 60 O 0.68213382404114 0.87500000000000 0.60315140056181 15.999 > 49 61 O 0.18213382404114 0.37500000000000 0.85315140056181 15.999 > 49 62 O 0.68213382404114 0.37500000000000 0.85315140056181 15.999 > 49 63 O 0.18213382404114 0.87500000000000 0.85315140056181 15.999 > 49 64 O 0.68213382404114 0.87500000000000 0.85315140056181 15.999 > 49 65 Hg 0.30814656533086 0.37500000000000 0.18651827495786 200.590 > 65 66 Hg 0.80814656533086 0.37500000000000 0.18651827495786 200.590 > 65 67 Hg 0.30814656533086 0.87500000000000 0.18651827495786 200.590 > 65 68 Hg 0.80814656533086 0.87500000000000 0.18651827495786 200.590 > 65 69 Hg 0.30814656533086 0.37500000000000 0.43651827495786 200.590 > 65 70 Hg 0.80814656533086 0.37500000000000 0.43651827495786 200.590 > 65 71 Hg 0.30814656533086 0.87500000000000 0.43651827495786 200.590 > 65 72 Hg 0.80814656533086 0.87500000000000 0.43651827495786 200.590 > 65 73 Hg 0.30814656533086 0.37500000000000 0.68651827495786 200.590 > 65 74 Hg 0.80814656533086 0.37500000000000 0.68651827495786 200.590 > 65 75 Hg 0.30814656533086 0.87500000000000 0.68651827495786 200.590 > 65 76 Hg 0.80814656533086 0.87500000000000 0.68651827495786 200.590 > 65 77 Hg 0.30814656533086 0.37500000000000 0.93651827495786 200.590 > 65 78 Hg 0.80814656533086 0.37500000000000 0.93651827495786 200.590 > 65 79 Hg 0.30814656533086 0.87500000000000 0.93651827495786 200.590 > 65 80 Hg 0.80814656533086 0.87500000000000 0.93651827495786 200.590 > 65 81 Hg 0.44185343466914 0.12500000000000 0.06151827495786 200.590 > 81 82 Hg 0.94185343466914 0.12500000000000 0.06151827495786 200.590 > 81 83 Hg 0.44185343466914 0.62500000000000 0.06151827495786 200.590 > 81 84 Hg 0.94185343466914 0.62500000000000 0.06151827495786 200.590 > 81 85 Hg 0.44185343466914 0.12500000000000 0.31151827495786 200.590 > 81 86 Hg 0.94185343466914 0.12500000000000 0.31151827495786 200.590 > 81 87 Hg 0.44185343466914 0.62500000000000 0.31151827495786 200.590 > 81 88 Hg 0.94185343466914 0.62500000000000 0.31151827495786 200.590 > 81 89 Hg 0.44185343466914 0.12500000000000 0.56151827495786 200.590 > 81 90 Hg 0.94185343466914 0.12500000000000 0.56151827495786 200.590 > 81 91 Hg 0.44185343466914 0.62500000000000 0.56151827495786 200.590 > 81 92 Hg 0.94185343466914 0.62500000000000 0.56151827495786 200.590 > 81 93 Hg 0.44185343466914 0.12500000000000 0.81151827495786 200.590 > 81 94 Hg 0.94185343466914 0.12500000000000 0.81151827495786 200.590 > 81 95 Hg 0.44185343466914 0.62500000000000 0.81151827495786 200.590 > 81 96 Hg 0.94185343466914 0.62500000000000 0.81151827495786 200.590 > 81 97 Hg 0.19185343466914 0.12500000000000 0.06348172504214 200.590 > 97 98 Hg 0.69185343466914 0.12500000000000 0.06348172504214 200.590 > 97 99 Hg 0.19185343466914 0.62500000000000 0.06348172504214 200.590 > 97 100 Hg 0.69185343466914 0.62500000000000 0.06348172504214 200.590 > 97 101 Hg 0.19185343466914 0.12500000000000 0.31348172504214 200.590 > 97 102 Hg 0.69185343466914 0.12500000000000 0.31348172504214 200.590 > 97 103 Hg 0.19185343466914 0.62500000000000 0.31348172504214 200.590 > 97 104 Hg 0.69185343466914 0.62500000000000 0.31348172504214 200.590 > 97 105 Hg 0.19185343466914 0.12500000000000 0.56348172504214 200.590 > 97 106 Hg 0.69185343466914 0.12500000000000 0.56348172504214 200.590 > 97 107 Hg 0.19185343466914 0.62500000000000 0.56348172504214 200.590 > 97 108 Hg 0.69185343466914 0.62500000000000 0.56348172504214 200.590 > 97 109 Hg 0.19185343466914 0.12500000000000 0.81348172504214 200.590 > 97 110 Hg 0.69185343466914 0.12500000000000 0.81348172504214 200.590 > 97 111 Hg 0.19185343466914 0.62500000000000 0.81348172504214 200.590 > 97 112 Hg 0.69185343466914 0.62500000000000 0.81348172504214 200.590 > 97 113 Hg 0.05814656533086 0.37500000000000 0.18848172504214 200.590 > 113 114 Hg 0.55814656533086 0.37500000000000 0.18848172504214 200.590 > 113 115 Hg 0.05814656533086 0.87500000000000 0.18848172504214 200.590 > 113 116 Hg 0.55814656533086 0.87500000000000 0.18848172504214 200.590 > 113 117 Hg 0.05814656533086 0.37500000000000 0.43848172504214 200.590 > 113 118 Hg 0.55814656533086 0.37500000000000 0.43848172504214 200.590 > 113 119 Hg 0.05814656533086 0.87500000000000 0.43848172504214 200.590 > 113 120 Hg 0.55814656533086 0.87500000000000 0.43848172504214 200.590 > 113 121 Hg 0.05814656533086 0.37500000000000 0.68848172504214 200.590 > 113 122 Hg 0.55814656533086 0.37500000000000 0.68848172504214 200.590 > 113 123 Hg 0.05814656533086 0.87500000000000 0.68848172504214 200.590 > 113 124 Hg 0.55814656533086 0.87500000000000 0.68848172504214 200.590 > 113 125 Hg 0.05814656533086 0.37500000000000 0.93848172504214 200.590 > 113 126 Hg 0.55814656533086 0.37500000000000 0.93848172504214 200.590 > 113 127 Hg 0.05814656533086 0.87500000000000 0.93848172504214 200.590 > 113 128 Hg 0.55814656533086 0.87500000000000 0.93848172504214 200.590 > 113 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.5853924 0.0000000 0.0000000 0.0000000 5.6302986 0.0000000 0.0000000 0.0000000 6.0036546 -------------------------- Born effective charges -------------------------- 1 O -2.5684034 0.0000000 0.0259511 0.0000000 -1.6372820 0.0000000 -0.1384767 0.0000000 -1.6573096 2 O -2.5684034 0.0000000 -0.0259511 0.0000000 -1.6372820 0.0000000 0.1384767 0.0000000 -1.6573096 3 O -2.5684034 0.0000000 0.0259511 0.0000000 -1.6372820 0.0000000 -0.1384767 0.0000000 -1.6573096 4 O -2.5684034 0.0000000 -0.0259511 0.0000000 -1.6372820 0.0000000 0.1384767 0.0000000 -1.6573096 5 Hg 2.5684034 0.0000000 0.8939301 0.0000000 1.6372820 0.0000000 0.3555140 0.0000000 1.6573096 6 Hg 2.5684034 0.0000000 -0.8939301 0.0000000 1.6372820 0.0000000 -0.3555140 0.0000000 1.6573096 7 Hg 2.5684034 0.0000000 0.8939301 0.0000000 1.6372820 0.0000000 0.3555140 0.0000000 1.6573096 8 Hg 2.5684034 0.0000000 -0.8939301 0.0000000 1.6372820 0.0000000 -0.3555140 0.0000000 1.6573096 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) Max drift of fc2: -0.00000000 (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 ... [ 8 9 14 ] 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: 0.82, Number of G-points: 295, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/200) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.060 ( 0.000 0.000 0.000) 0.000 1.237 ( 0.000 0.000 0.000) 0.000 1.651 ( 0.000 0.000 0.000) 0.000 1.761 ( 0.000 0.000 0.000) 0.000 1.766 ( 0.000 0.000 0.000) 0.000 1.931 ( 0.000 0.000 0.000) 0.000 2.209 ( 0.000 0.000 0.000) 0.000 3.256 ( 0.000 0.000 0.000) 0.000 3.500 ( 0.000 0.000 0.000) 0.000 4.069 ( 0.000 0.000 0.000) 0.000 4.185 ( 0.000 0.000 0.000) 0.000 4.233 ( 0.000 0.000 0.000) 0.000 7.268 ( 0.000 0.000 0.000) 0.000 10.199 ( 0.000 0.000 0.000) 0.000 11.407 ( 0.000 0.000 0.000) 0.000 14.029 ( 0.000 0.000 0.000) 0.000 14.104 ( 0.000 0.000 0.000) 0.000 16.082 ( 0.000 0.000 0.000) 0.000 16.432 ( 0.000 0.000 0.000) 0.000 16.847 ( 0.000 0.000 0.000) 0.000 17.157 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/200) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.195 ( 10.462 0.000 0.000) 10.462 0.202 ( 10.923 0.000 0.000) 10.923 0.605 ( 31.256 0.000 0.000) 31.256 1.240 ( 17.578 0.000 0.000) 17.578 1.244 ( 0.797 0.000 0.000) 0.797 1.660 ( -7.514 0.000 0.000) 7.514 1.732 ( -5.227 0.000 0.000) 5.227 1.804 ( -0.461 0.000 0.000) 0.461 1.924 ( -0.267 0.000 0.000) 0.267 2.199 ( -1.048 0.000 0.000) 1.048 2.884 ( -15.915 0.000 0.000) 15.915 3.952 ( -12.095 0.000 0.000) 12.095 4.067 ( 37.647 0.000 0.000) 37.647 4.092 ( -9.971 0.000 0.000) 9.971 4.169 ( -6.751 0.000 0.000) 6.751 7.191 ( -8.193 0.000 0.000) 8.193 10.341 ( 14.809 0.000 0.000) 14.809 11.524 ( 11.312 0.000 0.000) 11.312 13.749 ( -22.794 0.000 0.000) 22.794 14.071 ( -9.070 0.000 0.000) 9.070 16.154 ( 8.304 0.000 0.000) 8.304 16.622 ( 18.103 0.000 0.000) 18.103 17.151 ( -0.788 0.000 0.000) 0.788 18.994 ( -7.689 0.000 0.000) 7.689 ======================= Grid point 2 (3/200) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( 10.855 0.000 0.000) 10.855 0.412 ( 11.561 0.000 0.000) 11.561 1.087 ( 13.887 0.000 0.000) 13.887 1.270 ( 2.030 0.000 0.000) 2.030 1.522 ( -16.043 0.000 0.000) 16.043 1.551 ( 1.239 0.000 0.000) 1.239 1.616 ( 15.726 0.000 0.000) 15.726 1.845 ( 11.903 0.000 0.000) 11.903 1.945 ( 2.473 0.000 0.000) 2.473 2.170 ( -2.005 0.000 0.000) 2.005 2.792 ( 5.205 0.000 0.000) 5.205 3.633 ( -21.425 0.000 0.000) 21.425 3.815 ( -19.247 0.000 0.000) 19.247 3.984 ( -12.852 0.000 0.000) 12.852 4.785 ( 38.194 0.000 0.000) 38.194 6.963 ( -16.090 0.000 0.000) 16.090 10.734 ( 26.401 0.000 0.000) 26.401 11.827 ( 20.500 0.000 0.000) 20.500 13.240 ( -30.621 0.000 0.000) 30.621 13.775 ( -21.253 0.000 0.000) 21.253 16.377 ( 14.345 0.000 0.000) 14.345 17.038 ( 25.025 0.000 0.000) 25.025 17.120 ( -2.711 0.000 0.000) 2.711 18.782 ( -14.805 0.000 0.000) 14.805 ======================= Grid point 3 (4/200) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 11.610 0.000 0.000) 11.610 0.640 ( 12.817 0.000 0.000) 12.817 1.051 ( -10.448 0.000 0.000) 10.448 1.199 ( -17.173 0.000 0.000) 17.173 1.324 ( 3.804 0.000 0.000) 3.804 1.519 ( -5.174 0.000 0.000) 5.174 2.003 ( 3.417 0.000 0.000) 3.417 2.041 ( 29.545 0.000 0.000) 29.545 2.125 ( -2.793 0.000 0.000) 2.793 2.293 ( 29.325 0.000 0.000) 29.325 3.008 ( 16.146 0.000 0.000) 16.146 3.169 ( -27.577 0.000 0.000) 27.577 3.385 ( -26.144 0.000 0.000) 26.144 3.697 ( -17.416 0.000 0.000) 17.416 5.477 ( 35.111 0.000 0.000) 35.111 6.591 ( -23.431 0.000 0.000) 23.431 11.301 ( 33.343 0.000 0.000) 33.343 12.272 ( 26.308 0.000 0.000) 26.308 12.623 ( -34.732 0.000 0.000) 34.732 13.315 ( -26.940 0.000 0.000) 26.940 16.651 ( 14.051 0.000 0.000) 14.051 17.039 ( -6.160 0.000 0.000) 6.160 17.528 ( 26.580 0.000 0.000) 26.580 18.446 ( -20.746 0.000 0.000) 20.746 ======================= Grid point 4 (5/200) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -12.291 0.000 0.000) 12.291 0.829 ( 12.291 0.000 0.000) 12.291 0.898 ( -14.854 0.000 0.000) 14.854 0.898 ( 14.854 0.000 0.000) 14.854 1.413 ( -5.527 0.000 0.000) 5.527 1.413 ( 5.527 0.000 0.000) 5.527 2.067 ( -3.325 0.000 0.000) 3.325 2.067 ( 3.325 0.000 0.000) 3.325 2.617 ( -30.715 0.000 0.000) 30.715 2.617 ( 30.715 0.000 0.000) 30.715 2.855 ( -29.771 0.000 0.000) 29.771 2.855 ( 29.771 0.000 0.000) 29.771 3.348 ( -19.140 0.000 0.000) 19.140 3.348 ( 19.140 0.000 0.000) 19.140 6.089 ( -29.926 0.000 0.000) 29.926 6.089 ( 29.926 0.000 0.000) 29.926 11.956 ( -35.841 0.000 0.000) 35.841 11.956 ( 35.841 0.000 0.000) 35.841 12.791 ( -28.430 0.000 0.000) 28.430 12.791 ( 28.430 0.000 0.000) 28.430 16.884 ( -10.478 0.000 0.000) 10.478 16.884 ( 10.478 0.000 0.000) 10.478 18.015 ( -24.883 0.000 0.000) 24.883 18.015 ( 24.883 0.000 0.000) 24.883 ======================= Grid point 9 (6/200) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.168 ( 0.000 8.508 0.000) 8.508 0.212 ( 0.000 10.268 0.000) 10.268 0.425 ( 0.000 20.634 0.000) 20.634 1.050 ( 0.000 -0.984 0.000) 0.984 1.213 ( 0.000 -2.380 0.000) 2.380 1.651 ( 0.000 0.058 0.000) 0.058 1.755 ( 0.000 -0.516 0.000) 0.516 1.789 ( 0.000 2.086 0.000) 2.086 1.934 ( 0.000 0.271 0.000) 0.271 2.187 ( 0.000 -2.182 0.000) 2.182 3.290 ( 0.000 3.258 0.000) 3.258 3.523 ( 0.000 2.085 0.000) 2.085 4.082 ( 0.000 1.309 0.000) 1.309 4.190 ( 0.000 0.447 0.000) 0.447 7.291 ( 0.000 2.252 0.000) 2.252 7.829 ( 0.000 -1.525 0.000) 1.525 10.240 ( 0.000 3.939 0.000) 3.939 11.371 ( 0.000 -3.501 0.000) 3.501 14.031 ( 0.000 0.242 0.000) 0.242 14.102 ( 0.000 -0.202 0.000) 0.202 16.070 ( 0.000 -1.044 0.000) 1.044 16.399 ( 0.000 -3.139 0.000) 3.139 16.858 ( 0.000 1.082 0.000) 1.082 17.150 ( 0.000 -0.746 0.000) 0.746 ======================= Grid point 10 (7/200) ======================= q-point: ( 0.12 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.257 ( 7.952 5.551 0.000) 9.698 0.387 ( 7.237 12.196 0.000) 14.181 0.697 ( 26.541 9.139 0.000) 28.070 1.219 ( 0.701 -2.450 0.000) 2.549 1.226 ( 17.254 -1.173 0.000) 17.293 1.607 ( -4.696 -1.550 0.000) 4.945 1.747 ( -5.982 1.344 0.000) 6.131 1.765 ( 0.391 -1.454 0.000) 1.506 1.921 ( -0.745 -0.339 0.000) 0.819 2.179 ( -0.790 -1.977 0.000) 2.129 2.970 ( -12.023 8.234 0.000) 14.572 3.954 ( -8.104 0.217 0.000) 8.107 4.076 ( 21.849 0.734 0.000) 21.861 4.103 ( 1.214 1.065 0.000) 1.614 5.877 ( -98.205 84.960 0.000) 129.855 7.212 ( -8.407 2.024 0.000) 8.648 10.380 ( 14.633 3.771 0.000) 15.111 11.486 ( 11.575 -3.627 0.000) 12.130 13.757 ( -22.457 0.835 0.000) 22.473 14.061 ( -9.563 -0.994 0.000) 9.614 16.146 ( 8.608 -0.674 0.000) 8.635 16.586 ( 17.801 -3.438 0.000) 18.130 17.144 ( -0.627 -0.626 0.000) 0.886 18.086 ( 48.942 -51.667 0.000) 71.167 ======================= Grid point 11 (8/200) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 9.960 3.308 0.000) 10.495 0.530 ( 8.496 9.871 0.000) 13.023 1.134 ( 11.670 4.431 0.000) 12.483 1.239 ( 1.353 -2.864 0.000) 3.168 1.536 ( -14.879 1.261 0.000) 14.932 1.549 ( 1.839 -0.022 0.000) 1.839 1.587 ( 17.345 -1.804 0.000) 17.438 1.816 ( 11.486 -2.514 0.000) 11.758 1.933 ( 1.929 -1.265 0.000) 2.307 2.163 ( -0.495 -0.813 0.000) 0.952 2.948 ( 8.347 14.587 0.000) 16.806 3.646 ( -21.191 1.291 0.000) 21.230 3.819 ( -19.195 0.382 0.000) 19.199 4.694 ( -40.297 55.065 0.000) 68.235 4.786 ( 38.028 -0.093 0.000) 38.028 6.979 ( -16.411 1.463 0.000) 16.477 10.768 ( 26.136 3.363 0.000) 26.352 11.793 ( 20.681 -3.319 0.000) 20.946 13.255 ( -30.346 1.386 0.000) 30.377 13.757 ( -21.575 -1.735 0.000) 21.644 16.374 ( 14.556 -0.185 0.000) 14.557 16.994 ( 24.431 -4.221 0.000) 24.793 17.117 ( -2.513 -0.249 0.000) 2.525 18.454 ( 0.219 -27.239 0.000) 27.239 ======================= Grid point 12 (9/200) ======================= q-point: ( 0.38 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 10.985 2.110 0.000) 11.186 0.706 ( 10.185 6.024 0.000) 11.833 1.078 ( -10.085 2.506 0.000) 10.392 1.192 ( -11.643 -0.963 0.000) 11.683 1.336 ( -0.103 1.321 0.000) 1.325 1.513 ( -5.413 -0.671 0.000) 5.455 1.980 ( 2.876 -2.264 0.000) 3.660 2.035 ( 20.882 -1.719 0.000) 20.952 2.075 ( 11.026 -2.556 0.000) 11.319 2.327 ( 25.051 2.380 0.000) 25.164 3.156 ( -14.313 5.541 0.000) 15.348 3.244 ( 4.590 14.632 0.000) 15.335 3.394 ( -24.813 1.374 0.000) 24.851 4.094 ( -26.908 34.697 0.000) 43.908 5.478 ( 35.241 -0.095 0.000) 35.242 6.601 ( -23.746 0.818 0.000) 23.760 11.331 ( 33.062 2.865 0.000) 33.186 12.241 ( 26.501 -2.984 0.000) 26.669 12.642 ( -34.467 1.875 0.000) 34.518 13.293 ( -27.173 -2.225 0.000) 27.264 16.651 ( 14.158 0.103 0.000) 14.158 17.040 ( -6.039 0.080 0.000) 6.039 17.469 ( 25.437 -5.694 0.000) 26.067 18.289 ( -15.463 -14.294 0.000) 21.057 ======================= Grid point 13 (10/200) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -7.249 0.614 0.000) 7.274 0.824 ( 7.249 0.614 0.000) 7.274 0.962 ( -8.084 4.771 0.000) 9.387 0.962 ( 8.084 4.771 0.000) 9.387 1.405 ( -5.371 -0.701 0.000) 5.417 1.405 ( 5.371 -0.701 0.000) 5.417 2.034 ( -2.624 -3.253 0.000) 4.179 2.034 ( 2.624 -3.253 0.000) 4.179 2.629 ( -30.654 1.343 0.000) 30.684 2.629 ( 30.654 1.343 0.000) 30.684 2.863 ( -29.307 0.681 0.000) 29.315 2.863 ( 29.307 0.681 0.000) 29.315 3.628 ( -23.198 25.369 0.000) 34.377 3.628 ( 23.198 25.369 0.000) 34.377 6.094 ( -30.176 0.268 0.000) 30.177 6.094 ( 30.176 0.268 0.000) 30.177 11.981 ( -35.569 2.362 0.000) 35.647 11.981 ( 35.569 2.362 0.000) 35.647 12.764 ( -28.635 -2.620 0.000) 28.755 12.764 ( 28.635 -2.620 0.000) 28.755 16.885 ( -10.478 0.202 0.000) 10.480 16.885 ( 10.478 0.202 0.000) 10.480 17.924 ( -22.567 -8.522 0.000) 24.123 17.924 ( 22.567 -8.522 0.000) 24.123 ======================= Grid point 18 (11/200) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( 0.000 9.140 0.000) 9.140 0.413 ( 0.000 9.500 0.000) 9.500 0.827 ( 0.000 18.601 0.000) 18.601 1.022 ( 0.000 -1.465 0.000) 1.465 1.143 ( 0.000 -4.460 0.000) 4.460 1.653 ( 0.000 0.163 0.000) 0.163 1.741 ( 0.000 -0.884 0.000) 0.884 1.839 ( 0.000 2.599 0.000) 2.599 1.940 ( 0.000 0.255 0.000) 0.255 2.118 ( 0.000 -4.735 0.000) 4.735 3.379 ( 0.000 5.212 0.000) 5.212 3.574 ( 0.000 2.653 0.000) 2.653 4.118 ( 0.000 2.091 0.000) 2.091 4.202 ( 0.000 0.641 0.000) 0.641 7.355 ( 0.000 3.944 0.000) 3.944 7.785 ( 0.000 -2.764 0.000) 2.764 10.353 ( 0.000 7.124 0.000) 7.124 11.268 ( 0.000 -6.522 0.000) 6.522 14.038 ( 0.000 0.472 0.000) 0.472 14.096 ( 0.000 -0.363 0.000) 0.363 16.045 ( 0.000 -1.241 0.000) 1.241 16.312 ( 0.000 -5.146 0.000) 5.146 16.889 ( 0.000 1.976 0.000) 1.976 17.127 ( 0.000 -1.461 0.000) 1.461 ======================= Grid point 19 (12/200) ======================= q-point: ( 0.12 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 5.005 7.785 0.000) 9.255 0.605 ( 11.946 9.329 0.000) 15.157 0.955 ( 15.187 15.166 0.000) 21.463 1.148 ( 0.495 -4.555 0.000) 4.582 1.193 ( 16.777 -2.200 0.000) 16.921 1.597 ( -4.959 0.144 0.000) 4.961 1.734 ( -1.083 -1.663 0.000) 1.985 1.778 ( -7.483 1.524 0.000) 7.637 1.909 ( -2.150 -0.773 0.000) 2.285 2.116 ( -0.077 -4.364 0.000) 4.365 3.194 ( -2.626 13.110 0.000) 13.370 3.959 ( -0.333 0.156 0.000) 0.368 4.091 ( 3.073 0.740 0.000) 3.161 4.127 ( 10.304 1.061 0.000) 10.359 6.939 ( -69.288 28.536 0.000) 74.934 7.268 ( -9.287 3.257 0.000) 9.841 10.489 ( 14.181 6.867 0.000) 15.756 11.383 ( 11.827 -6.498 0.000) 13.495 13.783 ( -21.469 1.643 0.000) 21.532 14.032 ( -10.965 -1.866 0.000) 11.122 16.132 ( 9.490 -0.527 0.000) 9.505 16.491 ( 16.954 -5.718 0.000) 17.892 17.126 ( 0.068 -1.103 0.000) 1.105 17.400 ( 37.380 -19.261 0.000) 42.051 ======================= Grid point 20 (13/200) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 7.982 5.569 0.000) 9.732 0.755 ( 5.918 11.578 0.000) 13.003 1.161 ( 0.823 -4.733 0.000) 4.804 1.251 ( 4.469 6.468 0.000) 7.861 1.548 ( 7.892 -1.049 0.000) 7.962 1.567 ( 15.812 0.917 0.000) 15.839 1.569 ( -12.747 1.968 0.000) 12.898 1.751 ( 8.612 -3.775 0.000) 9.403 1.893 ( 0.303 -2.659 0.000) 2.676 2.132 ( 3.073 -2.400 0.000) 3.899 3.329 ( 14.895 21.439 0.000) 26.105 3.682 ( -20.390 2.172 0.000) 20.505 3.831 ( -18.731 0.855 0.000) 18.751 4.770 ( 37.418 -1.860 0.000) 37.465 5.740 ( -54.364 43.627 0.000) 69.705 7.013 ( -17.673 1.626 0.000) 17.747 10.867 ( 25.435 6.206 0.000) 26.181 11.696 ( 21.144 -6.101 0.000) 22.006 13.296 ( -29.558 2.687 0.000) 29.680 13.707 ( -22.478 -3.211 0.000) 22.706 16.375 ( 15.166 0.395 0.000) 15.171 16.877 ( 22.895 -7.046 0.000) 23.955 17.113 ( -1.775 -0.060 0.000) 1.776 17.895 ( 13.274 -24.795 0.000) 28.125 ======================= Grid point 21 (14/200) ======================= q-point: ( 0.38 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 9.676 3.957 0.000) 10.454 0.861 ( 5.259 8.784 0.000) 10.238 1.143 ( -9.411 3.566 0.000) 10.064 1.155 ( -2.886 -2.621 0.000) 3.899 1.380 ( -5.194 2.957 0.000) 5.977 1.493 ( -5.875 -1.192 0.000) 5.994 1.912 ( 1.486 -4.427 0.000) 4.670 1.927 ( 4.800 -7.101 0.000) 8.571 2.096 ( 29.851 2.925 0.000) 29.994 2.366 ( 23.499 1.169 0.000) 23.528 3.218 ( -26.897 2.799 0.000) 27.042 3.389 ( -24.565 0.556 0.000) 24.571 3.746 ( 23.378 28.006 0.000) 36.481 4.890 ( -38.097 39.827 0.000) 55.114 5.460 ( 35.549 -2.071 0.000) 35.609 6.612 ( -24.889 -0.114 0.000) 24.889 11.415 ( 32.293 5.356 0.000) 32.734 12.154 ( 27.045 -5.509 0.000) 27.601 12.698 ( -33.721 3.585 0.000) 33.911 13.228 ( -27.831 -4.105 0.000) 28.132 16.660 ( 14.470 0.952 0.000) 14.501 17.047 ( -5.591 0.799 0.000) 5.648 17.312 ( 22.705 -9.267 0.000) 24.523 17.939 ( -6.740 -18.558 0.000) 19.744 ======================= Grid point 22 (15/200) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -7.628 3.392 0.000) 8.348 0.866 ( 7.628 3.392 0.000) 8.348 1.061 ( -3.948 4.596 0.000) 6.059 1.061 ( 3.948 4.596 0.000) 6.059 1.389 ( -4.327 -0.576 0.000) 4.365 1.389 ( 4.327 -0.576 0.000) 4.365 1.939 ( -1.157 -5.901 0.000) 6.013 1.939 ( 1.157 -5.901 0.000) 6.013 2.673 ( -30.527 2.916 0.000) 30.666 2.673 ( 30.527 2.916 0.000) 30.666 2.877 ( -28.588 0.579 0.000) 28.594 2.877 ( 28.588 0.579 0.000) 28.594 4.257 ( -30.261 34.006 0.000) 45.521 4.257 ( 30.261 34.006 0.000) 45.521 6.087 ( -30.966 -1.410 0.000) 30.998 6.087 ( 30.966 -1.410 0.000) 30.998 12.050 ( -34.810 4.466 0.000) 35.095 12.050 ( 34.810 4.466 0.000) 35.095 12.687 ( -29.222 -4.836 0.000) 29.619 12.687 ( 29.222 -4.836 0.000) 29.619 16.897 ( -10.449 1.131 0.000) 10.510 16.897 ( 10.449 1.131 0.000) 10.510 17.699 ( -17.674 -12.930 0.000) 21.899 17.699 ( 17.674 -12.930 0.000) 21.899 ======================= Grid point 27 (16/200) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 0.000 9.363 0.000) 9.363 0.593 ( 0.000 8.291 0.000) 8.291 0.951 ( 0.000 -3.179 0.000) 3.179 1.034 ( 0.000 -6.269 0.000) 6.269 1.210 ( 0.000 16.709 0.000) 16.709 1.658 ( 0.000 0.282 0.000) 0.282 1.721 ( 0.000 -0.948 0.000) 0.948 1.886 ( 0.000 1.989 0.000) 1.989 1.942 ( 0.000 -0.064 0.000) 0.064 1.993 ( 0.000 -7.689 0.000) 7.689 3.487 ( 0.000 5.170 0.000) 5.170 3.617 ( 0.000 1.388 0.000) 1.388 4.161 ( 0.000 2.060 0.000) 2.060 4.213 ( 0.000 0.385 0.000) 0.385 7.445 ( 0.000 4.782 0.000) 4.782 7.720 ( 0.000 -3.684 0.000) 3.684 10.521 ( 0.000 9.183 0.000) 9.183 11.113 ( 0.000 -8.717 0.000) 8.717 14.050 ( 0.000 0.634 0.000) 0.634 14.087 ( 0.000 -0.489 0.000) 0.489 16.029 ( 0.000 -0.192 0.000) 0.192 16.202 ( 0.000 -5.402 0.000) 5.402 16.936 ( 0.000 2.543 0.000) 2.543 17.091 ( 0.000 -2.089 0.000) 2.089 ======================= Grid point 28 (17/200) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 2.974 8.488 0.000) 8.994 0.778 ( 14.673 7.927 0.000) 16.677 1.037 ( 0.402 -6.270 0.000) 6.283 1.132 ( 17.120 -3.446 0.000) 17.464 1.272 ( 7.683 15.099 0.000) 16.941 1.607 ( -4.486 0.838 0.000) 4.564 1.698 ( -2.651 -1.853 0.000) 3.234 1.807 ( -8.293 1.372 0.000) 8.405 1.889 ( -4.182 -1.186 0.000) 4.347 1.999 ( 0.998 -7.202 0.000) 7.271 3.470 ( 7.940 13.450 0.000) 15.619 3.950 ( 9.770 -1.507 0.000) 9.886 4.105 ( -4.009 0.659 0.000) 4.063 4.138 ( 4.031 -0.041 0.000) 4.032 7.287 ( -40.636 9.177 0.000) 41.659 7.335 ( -11.508 3.191 0.000) 11.942 10.651 ( 13.614 8.908 0.000) 16.269 11.228 ( 12.118 -8.569 0.000) 14.842 13.823 ( -19.892 2.332 0.000) 20.028 13.987 ( -13.045 -2.509 0.000) 13.284 16.133 ( 10.841 0.781 0.000) 10.869 16.367 ( 15.689 -6.214 0.000) 16.875 17.102 ( 2.141 -1.202 0.000) 2.456 17.166 ( 18.856 -6.095 0.000) 19.817 ======================= Grid point 29 (18/200) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 5.901 6.666 0.000) 8.903 0.982 ( 6.334 10.638 0.000) 12.381 1.052 ( 1.305 -5.923 0.000) 6.066 1.355 ( -2.618 2.493 0.000) 3.615 1.522 ( 10.862 -0.925 0.000) 10.901 1.606 ( 6.513 1.001 0.000) 6.589 1.616 ( -10.440 2.655 0.000) 10.772 1.691 ( 13.665 0.171 0.000) 13.666 1.828 ( -2.141 -3.609 0.000) 4.197 2.061 ( 7.569 -4.626 0.000) 8.871 3.708 ( -7.957 7.812 0.000) 11.151 3.743 ( -6.819 6.115 0.000) 9.159 3.895 ( -1.109 10.154 0.000) 10.215 4.695 ( 35.986 -5.897 0.000) 36.466 6.429 ( -46.529 25.207 0.000) 52.919 7.030 ( -20.643 -0.397 0.000) 20.647 11.014 ( 24.503 8.168 0.000) 25.828 11.551 ( 21.796 -8.053 0.000) 23.236 13.362 ( -28.366 3.771 0.000) 28.615 13.630 ( -23.798 -4.221 0.000) 24.169 16.398 ( 16.130 2.034 0.000) 16.258 16.723 ( 20.947 -7.783 0.000) 22.346 17.121 ( -0.135 0.994 0.000) 1.003 17.494 ( 12.397 -14.922 0.000) 19.399 ======================= Grid point 30 (19/200) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 8.400 5.141 0.000) 9.848 1.046 ( 0.400 9.055 0.000) 9.064 1.088 ( 2.356 -3.977 0.000) 4.622 1.213 ( -8.361 3.118 0.000) 8.924 1.455 ( -6.174 4.432 0.000) 7.600 1.470 ( -5.633 -0.868 0.000) 5.700 1.769 ( 4.246 -8.272 0.000) 9.299 1.806 ( -0.453 -5.877 0.000) 5.895 2.172 ( 29.916 4.257 0.000) 30.218 2.369 ( 24.426 -0.861 0.000) 24.441 3.277 ( -26.726 2.960 0.000) 26.890 3.390 ( -25.278 -0.361 0.000) 25.281 4.320 ( 29.923 27.313 0.000) 40.514 5.375 ( 35.745 -6.758 0.000) 36.378 5.616 ( -39.845 30.887 0.000) 50.415 6.577 ( -27.285 -3.864 0.000) 27.557 11.543 ( 31.219 7.163 0.000) 32.030 12.023 ( 27.865 -7.269 0.000) 28.798 12.785 ( -32.621 4.944 0.000) 32.994 13.130 ( -28.821 -5.383 0.000) 29.319 16.697 ( 15.007 2.879 0.000) 15.281 17.080 ( -4.652 2.643 0.000) 5.350 17.113 ( 19.730 -9.956 0.000) 22.100 17.587 ( -2.269 -15.443 0.000) 15.608 ======================= Grid point 31 (20/200) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -9.033 4.735 0.000) 10.198 0.951 ( 9.033 4.735 0.000) 10.198 1.129 ( -1.859 1.583 0.000) 2.442 1.129 ( 1.859 1.583 0.000) 2.442 1.401 ( -0.713 2.313 0.000) 2.421 1.401 ( 0.713 2.313 0.000) 2.421 1.801 ( -0.372 -7.555 0.000) 7.564 1.801 ( 0.372 -7.555 0.000) 7.564 2.740 ( -30.034 3.487 0.000) 30.236 2.740 ( 30.034 3.487 0.000) 30.236 2.880 ( -28.310 -0.426 0.000) 28.313 2.880 ( 28.310 -0.426 0.000) 28.313 4.924 ( -34.341 30.526 0.000) 45.947 4.924 ( 34.341 30.526 0.000) 45.947 6.016 ( -32.302 -6.045 0.000) 32.863 6.016 ( 32.302 -6.045 0.000) 32.863 12.158 ( -33.714 6.064 0.000) 34.255 12.158 ( 33.714 6.064 0.000) 34.255 12.572 ( -30.115 -6.363 0.000) 30.780 12.572 ( 30.115 -6.363 0.000) 30.780 16.939 ( -10.380 3.205 0.000) 10.864 16.939 ( 10.380 3.205 0.000) 10.864 17.432 ( -13.478 -12.775 0.000) 18.571 17.432 ( 13.478 -12.775 0.000) 18.571 ======================= Grid point 36 (21/200) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 0.000 8.889 0.000) 8.889 0.746 ( 0.000 6.765 0.000) 6.765 0.866 ( 0.000 -5.090 0.000) 5.090 0.891 ( 0.000 -7.793 0.000) 7.793 1.520 ( 0.000 13.348 0.000) 13.348 1.660 ( 0.000 -0.594 0.000) 0.594 1.708 ( 0.000 0.038 0.000) 0.038 1.810 ( 0.000 -9.844 0.000) 9.844 1.918 ( 0.000 1.194 0.000) 1.194 1.936 ( 0.000 -0.558 0.000) 0.558 3.577 ( 0.000 3.471 0.000) 3.471 3.623 ( 0.000 -0.979 0.000) 0.979 4.197 ( 0.000 1.332 0.000) 1.332 4.214 ( 0.000 -0.356 0.000) 0.356 7.544 ( 0.000 4.831 0.000) 4.831 7.638 ( 0.000 -4.384 0.000) 4.384 10.718 ( 0.000 10.088 0.000) 10.088 10.922 ( 0.000 -9.919 0.000) 9.919 14.063 ( 0.000 0.671 0.000) 0.671 14.076 ( 0.000 -0.600 0.000) 0.600 16.044 ( 0.000 1.841 0.000) 1.841 16.105 ( 0.000 -4.045 0.000) 4.045 16.990 ( 0.000 2.724 0.000) 2.724 17.044 ( 0.000 -2.545 0.000) 2.545 ======================= Grid point 37 (22/200) ======================= q-point: ( 0.12 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 1.541 8.337 0.000) 8.478 0.896 ( 0.691 -7.558 0.000) 7.589 0.926 ( 15.770 6.636 0.000) 17.110 1.045 ( 16.464 -5.108 0.000) 17.238 1.549 ( 2.706 10.793 0.000) 11.127 1.629 ( -2.387 0.737 0.000) 2.498 1.671 ( -3.404 0.809 0.000) 3.499 1.825 ( 2.211 -9.858 0.000) 10.103 1.834 ( -7.817 1.380 0.000) 7.938 1.863 ( -6.274 -1.391 0.000) 6.426 3.716 ( 16.192 10.410 0.000) 19.249 3.880 ( 17.918 -5.666 0.000) 18.792 4.118 ( -7.103 0.611 0.000) 7.129 4.130 ( -5.036 -0.569 0.000) 5.068 7.387 ( -16.410 1.638 0.000) 16.491 7.388 ( -24.447 1.827 0.000) 24.515 10.842 ( 13.047 9.830 0.000) 16.336 11.042 ( 12.535 -9.701 0.000) 15.850 13.875 ( -17.830 2.763 0.000) 18.043 13.933 ( -15.455 -2.828 0.000) 15.711 16.169 ( 12.468 2.913 0.000) 12.804 16.251 ( 14.146 -5.044 0.000) 15.019 17.085 ( 5.435 -0.274 0.000) 5.442 17.097 ( 8.246 -1.599 0.000) 8.399 ======================= Grid point 38 (23/200) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 4.062 6.949 0.000) 8.049 0.924 ( 2.494 -6.662 0.000) 7.114 1.180 ( 8.070 8.723 0.000) 11.883 1.324 ( 6.506 -5.036 0.000) 8.227 1.527 ( -0.837 1.366 0.000) 1.602 1.568 ( -4.704 -2.576 0.000) 5.364 1.677 ( -7.848 3.400 0.000) 8.553 1.752 ( -4.993 -3.836 0.000) 6.297 1.796 ( 18.731 7.476 0.000) 20.168 1.945 ( 12.838 -6.782 0.000) 14.519 3.765 ( -19.107 1.746 0.000) 19.186 3.788 ( -17.093 -0.381 0.000) 17.098 4.229 ( 27.247 16.983 0.000) 32.106 4.520 ( 33.064 -11.526 0.000) 35.015 6.804 ( -35.141 12.837 0.000) 37.412 6.979 ( -26.253 -5.044 0.000) 26.734 11.191 ( 23.523 9.117 0.000) 25.228 11.376 ( 22.601 -9.068 0.000) 24.352 13.446 ( -26.908 4.471 0.000) 27.277 13.540 ( -25.335 -4.647 0.000) 25.757 16.462 ( 17.425 4.386 0.000) 17.968 16.575 ( 19.048 -6.631 0.000) 20.169 17.162 ( 2.837 3.367 0.000) 4.403 17.270 ( 7.334 -7.695 0.000) 10.630 ======================= Grid point 39 (24/200) ======================= q-point: ( 0.38 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 7.092 5.432 0.000) 8.933 0.996 ( 5.277 -4.958 0.000) 7.240 1.202 ( -5.337 5.571 0.000) 7.715 1.254 ( -7.481 0.309 0.000) 7.488 1.482 ( -1.637 3.061 0.000) 3.471 1.558 ( -4.839 5.684 0.000) 7.465 1.602 ( 3.063 -7.857 0.000) 8.433 1.681 ( -2.689 -6.289 0.000) 6.840 2.259 ( 28.388 4.137 0.000) 28.688 2.331 ( 26.312 -2.835 0.000) 26.464 3.333 ( -26.151 2.433 0.000) 26.264 3.372 ( -25.627 -1.431 0.000) 25.667 4.817 ( 33.592 21.265 0.000) 39.757 5.171 ( 35.314 -13.651 0.000) 37.860 6.129 ( -36.055 19.955 0.000) 41.209 6.435 ( -31.176 -10.616 0.000) 32.934 11.699 ( 30.034 8.108 0.000) 31.109 11.865 ( 28.885 -8.143 0.000) 30.011 12.895 ( -31.337 5.772 0.000) 31.864 13.014 ( -30.027 -5.940 0.000) 30.609 16.782 ( 15.902 5.612 0.000) 16.863 16.925 ( 17.406 -8.349 0.000) 19.304 17.163 ( -3.235 5.854 0.000) 6.689 17.326 ( -1.913 -10.361 0.000) 10.536 ======================= Grid point 40 (25/200) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -9.172 4.329 0.000) 10.142 1.046 ( 9.172 4.329 0.000) 10.142 1.117 ( -7.244 -2.435 0.000) 7.643 1.117 ( 7.244 -2.435 0.000) 7.643 1.493 ( -2.204 6.422 0.000) 6.790 1.493 ( 2.204 6.422 0.000) 6.790 1.642 ( -1.741 -7.930 0.000) 8.119 1.642 ( 1.741 -7.930 0.000) 8.119 2.808 ( -29.293 3.019 0.000) 29.448 2.808 ( 29.293 3.019 0.000) 29.448 2.857 ( -28.613 -1.828 0.000) 28.672 2.857 ( 28.613 -1.828 0.000) 28.672 5.463 ( -35.042 22.289 0.000) 41.530 5.463 ( 35.042 22.289 0.000) 41.530 5.823 ( -33.914 -13.409 0.000) 36.468 5.823 ( 33.914 -13.409 0.000) 36.468 12.291 ( -32.466 6.966 0.000) 33.205 12.291 ( 32.466 6.966 0.000) 33.205 12.435 ( -31.227 -7.077 0.000) 32.019 12.435 ( 31.227 -7.077 0.000) 32.019 17.034 ( -10.459 6.350 0.000) 12.236 17.034 ( 10.459 6.350 0.000) 12.236 17.199 ( -11.222 -9.948 0.000) 14.997 17.199 ( 11.222 -9.948 0.000) 14.997 ======================= Grid point 81 (26/200) ======================= q-point: ( 0.00 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.163 ( 0.000 0.000 7.754) 7.754 0.186 ( 0.000 0.000 9.300) 9.300 0.431 ( 0.000 0.000 21.375) 21.375 1.065 ( 0.000 0.000 0.497) 0.497 1.295 ( 0.000 0.000 5.525) 5.525 1.713 ( 0.000 0.000 5.879) 5.879 1.763 ( 0.000 0.000 -0.258) 0.258 1.806 ( 0.000 0.000 4.314) 4.314 1.924 ( 0.000 0.000 -0.687) 0.687 2.188 ( 0.000 0.000 -2.033) 2.033 3.242 ( 0.000 0.000 -1.348) 1.348 3.408 ( 0.000 0.000 -7.809) 7.809 4.069 ( 0.000 0.000 0.002) 0.002 4.364 ( 0.000 0.000 11.654) 11.654 4.378 ( 0.000 0.000 -1.902) 1.902 7.248 ( 0.000 0.000 -1.953) 1.953 10.292 ( 0.000 0.000 9.014) 9.014 11.429 ( 0.000 0.000 2.325) 2.325 14.154 ( 0.000 0.000 4.783) 4.783 15.382 ( 0.000 0.000 -2.089) 2.089 16.010 ( 0.000 0.000 -6.885) 6.885 16.289 ( 0.000 0.000 -11.633) 11.633 16.950 ( 0.000 0.000 7.773) 7.773 17.194 ( 0.000 0.000 3.274) 3.274 ======================= Grid point 82 (27/200) ======================= q-point: ( 0.12 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( 7.848 0.000 6.126) 9.956 0.360 ( 7.873 0.000 10.362) 13.014 0.691 ( 25.272 0.000 9.266) 26.917 1.235 ( 15.780 0.000 0.121) 15.780 1.307 ( 2.140 0.000 5.303) 5.719 1.674 ( -5.420 0.000 3.044) 6.217 1.727 ( -5.487 0.000 -0.479) 5.508 1.813 ( -0.063 0.000 2.597) 2.598 1.915 ( -0.390 0.000 -0.841) 0.927 2.178 ( -1.071 0.000 -2.087) 2.346 2.872 ( -14.536 0.000 -1.092) 14.577 3.905 ( 24.262 0.000 -9.073) 25.903 3.954 ( -12.179 0.000 -0.067) 12.179 4.158 ( -16.177 0.000 2.662) 16.395 4.376 ( 6.013 0.000 13.436) 14.720 7.172 ( -8.145 0.000 -1.909) 8.366 10.430 ( 14.549 0.000 8.728) 16.966 11.540 ( 11.405 0.000 1.983) 11.577 13.961 ( -22.706 0.000 8.709) 24.319 14.385 ( -36.856 0.000 26.178) 45.207 16.079 ( 8.242 0.000 -7.066) 10.857 16.551 ( 18.600 0.000 -7.595) 20.091 17.182 ( -1.388 0.000 2.681) 3.019 18.151 ( 42.584 0.000 -48.497) 64.540 ======================= Grid point 83 (28/200) ======================= q-point: ( 0.25 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 10.319 0.000 3.274) 10.826 0.506 ( 8.459 0.000 9.375) 12.627 1.119 ( 13.158 0.000 3.683) 13.664 1.325 ( 2.006 0.000 5.348) 5.712 1.514 ( -16.006 0.000 -0.830) 16.027 1.589 ( 1.669 0.000 3.691) 4.051 1.618 ( 16.525 0.000 0.364) 16.529 1.840 ( 9.751 0.000 -0.186) 9.752 1.934 ( 2.351 0.000 -1.050) 2.574 2.150 ( -1.856 0.000 -1.919) 2.670 2.803 ( 6.126 0.000 1.136) 6.230 3.629 ( -21.749 0.000 -0.403) 21.753 3.818 ( -20.863 0.000 -0.107) 20.863 3.984 ( -9.540 0.000 -0.154) 9.541 4.820 ( 34.401 0.000 3.513) 34.580 6.945 ( -15.991 0.000 -1.774) 16.089 10.818 ( 26.212 0.000 8.246) 27.479 11.842 ( 20.375 0.000 1.809) 20.456 13.399 ( -33.368 0.000 12.979) 35.804 13.877 ( -24.991 0.000 9.737) 26.821 16.306 ( 14.781 0.000 -6.771) 16.258 16.963 ( 23.905 0.000 -7.262) 24.984 17.137 ( -3.261 0.000 1.058) 3.428 18.449 ( -1.588 0.000 -27.807) 27.852 ======================= Grid point 84 (29/200) ======================= q-point: ( 0.38 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 12.084 0.000 1.620) 12.192 0.681 ( 10.251 0.000 7.093) 12.465 1.096 ( -9.664 0.000 4.416) 10.625 1.195 ( -16.786 0.000 -0.363) 16.790 1.366 ( 3.199 0.000 4.276) 5.340 1.554 ( -5.311 0.000 3.421) 6.318 1.990 ( 3.295 0.000 -1.283) 3.536 2.042 ( 28.993 0.000 0.045) 28.993 2.108 ( -2.674 0.000 -1.675) 3.155 2.272 ( 29.143 0.000 -2.031) 29.214 3.032 ( 16.594 0.000 2.331) 16.757 3.161 ( -27.692 0.000 -0.784) 27.703 3.370 ( -26.670 0.000 -1.528) 26.713 3.723 ( -16.947 0.000 2.534) 17.136 5.477 ( 34.229 0.000 0.033) 34.229 6.576 ( -23.253 0.000 -1.522) 23.303 11.384 ( 33.271 0.000 7.951) 34.207 12.272 ( 23.151 0.000 0.981) 23.171 12.762 ( -32.551 0.000 12.126) 34.736 13.377 ( -28.074 0.000 5.908) 28.689 16.593 ( 14.981 0.000 -5.577) 15.985 17.027 ( -7.420 0.000 -1.324) 7.538 17.441 ( 25.240 0.000 -8.507) 26.635 18.265 ( -15.971 0.000 -16.613) 23.044 ======================= Grid point 85 (30/200) ======================= q-point: (-0.50 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -11.498 0.000 5.556) 12.770 0.887 ( 11.498 0.000 5.556) 12.770 0.903 ( -14.328 0.000 0.490) 14.336 0.903 ( 14.328 0.000 0.490) 14.336 1.448 ( -5.349 0.000 3.521) 6.404 1.448 ( 5.349 0.000 3.521) 6.404 2.052 ( -3.220 0.000 -1.484) 3.546 2.052 ( 3.220 0.000 -1.484) 3.546 2.610 ( -30.495 0.000 -0.700) 30.503 2.610 ( 30.495 0.000 -0.700) 30.503 2.834 ( -29.904 0.000 -2.051) 29.975 2.834 ( 29.904 0.000 -2.051) 29.975 3.377 ( -19.247 0.000 2.829) 19.453 3.377 ( 19.247 0.000 2.829) 19.453 6.079 ( -29.572 0.000 -1.044) 29.590 6.079 ( 29.572 0.000 -1.044) 29.590 12.035 ( -35.102 0.000 7.508) 35.896 12.035 ( 35.102 0.000 7.508) 35.896 12.844 ( -27.827 0.000 5.166) 28.303 12.844 ( 27.827 0.000 5.166) 28.303 16.847 ( -11.753 0.000 -3.627) 12.300 16.847 ( 11.753 0.000 -3.627) 12.300 17.896 ( -22.613 0.000 -11.356) 25.304 17.896 ( 22.613 0.000 -11.356) 25.304 ======================= Grid point 90 (31/200) ======================= q-point: ( 0.00 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.264 ( 0.000 7.900 4.436) 9.061 0.303 ( 0.000 7.170 7.862) 10.640 0.579 ( 0.000 13.753 14.563) 20.030 1.054 ( 0.000 -1.046 0.422) 1.128 1.271 ( 0.000 -2.370 5.504) 5.992 1.713 ( 0.000 0.022 5.834) 5.834 1.787 ( 0.000 2.131 -0.189) 2.139 1.800 ( 0.000 -0.491 4.313) 4.341 1.932 ( 0.000 0.463 -0.282) 0.542 2.170 ( 0.000 -1.855 -1.670) 2.496 3.280 ( 0.000 3.621 -1.006) 3.758 3.580 ( 0.000 4.587 2.603) 5.274 4.081 ( 0.000 1.161 -0.139) 1.170 4.183 ( 0.000 -0.628 0.284) 0.689 6.130 ( 0.000 79.274 -81.243) 113.511 7.270 ( 0.000 2.055 -2.123) 2.955 10.329 ( 0.000 3.670 8.784) 9.520 11.395 ( 0.000 -3.308 2.513) 4.154 14.153 ( 0.000 -0.109 4.870) 4.871 14.811 ( 0.000 -32.216 31.106) 44.783 15.996 ( 0.000 -1.151 -7.000) 7.094 16.263 ( 0.000 -2.552 -11.329) 11.613 16.955 ( 0.000 0.490 7.463) 7.479 17.187 ( 0.000 -0.716 3.298) 3.374 ======================= Grid point 91 (32/200) ======================= q-point: ( 0.12 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( 5.636 5.393 6.921) 10.428 0.447 ( 8.778 8.191 5.598) 13.247 0.777 ( 21.428 8.608 8.219) 24.511 1.223 ( 15.482 -1.187 0.192) 15.528 1.279 ( 1.958 -2.570 5.111) 6.046 1.654 ( -5.411 -0.747 4.729) 7.225 1.744 ( -5.975 1.490 -0.241) 6.163 1.797 ( -0.983 -1.112 3.185) 3.514 1.918 ( -0.724 0.061 -0.242) 0.766 2.163 ( -0.747 -1.611 -1.632) 2.412 2.999 ( -11.484 9.405 1.895) 14.965 3.960 ( -10.907 0.608 0.261) 10.927 4.052 ( 15.773 4.250 -4.877) 17.048 4.112 ( 7.389 -1.189 2.986) 8.058 5.416 ( -50.201 71.594 -29.882) 92.406 7.191 ( -8.342 1.847 -2.063) 8.790 10.466 ( 14.396 3.556 8.508) 17.096 11.506 ( 11.488 -3.275 2.248) 12.155 13.950 ( -22.735 -0.920 9.338) 24.595 14.309 ( -27.333 -6.179 22.709) 36.069 16.069 ( 8.619 -0.881 -7.268) 11.309 16.507 ( 18.962 -4.103 -8.146) 21.041 17.176 ( -1.254 -0.581 2.723) 3.054 17.768 ( 45.246 -26.253 -21.913) 56.715 ======================= Grid point 92 (33/200) ======================= q-point: ( 0.25 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 8.732 3.199 4.993) 10.556 0.586 ( 7.448 8.196 6.034) 12.612 1.165 ( 11.000 4.244 3.442) 12.283 1.292 ( 1.198 -2.846 4.910) 5.800 1.534 ( -12.951 1.585 -0.108) 13.048 1.587 ( 1.693 -0.152 3.595) 3.977 1.597 ( 16.580 -1.320 0.959) 16.660 1.811 ( 8.397 -2.605 -0.387) 8.800 1.931 ( 2.047 -0.611 -0.198) 2.146 2.148 ( -0.414 -0.471 -1.490) 1.616 2.977 ( 8.205 15.379 2.532) 17.614 3.642 ( -21.478 1.233 -0.477) 21.519 3.808 ( -19.447 0.075 -1.065) 19.476 4.541 ( -14.479 38.497 -10.751) 42.512 4.865 ( 19.356 9.649 4.916) 22.180 6.960 ( -16.286 1.335 -1.887) 16.449 10.851 ( 25.962 3.177 8.062) 27.370 11.811 ( 20.567 -3.029 2.062) 20.891 13.403 ( -32.636 0.443 12.352) 34.898 13.854 ( -24.733 -2.203 9.248) 26.498 16.302 ( 15.031 -0.317 -6.895) 16.540 16.918 ( 23.749 -4.301 -7.414) 25.249 17.134 ( -3.324 -0.307 1.083) 3.510 18.213 ( 6.020 -20.045 -20.554) 29.334 ======================= Grid point 93 (34/200) ======================= q-point: ( 0.38 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 10.523 1.646 3.919) 11.349 0.742 ( 9.157 5.814 4.259) 11.653 1.121 ( -9.721 2.359 4.163) 10.834 1.196 ( -12.602 -0.234 0.425) 12.611 1.373 ( 0.597 0.913 3.884) 4.034 1.546 ( -5.555 -0.720 3.338) 6.521 1.968 ( 3.481 -2.059 -1.156) 4.206 2.028 ( 14.961 -2.991 -0.849) 15.281 2.070 ( 15.898 -1.033 -0.357) 15.935 2.308 ( 24.672 2.510 -1.894) 24.872 3.160 ( -21.177 3.286 0.006) 21.430 3.258 ( 10.814 16.728 1.616) 19.985 3.377 ( -24.811 1.394 -1.678) 24.907 4.086 ( -24.435 32.137 -0.571) 40.376 5.478 ( 34.256 -0.052 0.063) 34.256 6.585 ( -23.545 0.744 -1.589) 23.610 11.411 ( 33.003 2.704 7.795) 34.019 12.248 ( 24.185 -2.385 1.393) 24.343 12.772 ( -33.021 1.047 11.519) 34.988 13.354 ( -28.229 -2.291 5.843) 28.918 16.592 ( 15.107 0.016 -5.660) 16.132 17.027 ( -7.293 0.036 -1.364) 7.420 17.384 ( 24.294 -5.488 -8.298) 26.253 18.133 ( -12.223 -12.112 -14.421) 22.452 ======================= Grid point 94 (35/200) ======================= q-point: (-0.50 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -5.463 0.133 3.769) 6.638 0.867 ( 5.463 0.133 3.769) 6.638 0.979 ( -5.397 5.055 2.131) 7.696 0.979 ( 5.397 5.055 2.131) 7.696 1.439 ( -5.185 -0.744 3.464) 6.279 1.439 ( 5.185 -0.744 3.464) 6.279 2.022 ( -2.525 -2.970 -1.169) 4.070 2.022 ( 2.525 -2.970 -1.169) 4.070 2.622 ( -30.464 1.323 -0.695) 30.501 2.622 ( 30.464 1.323 -0.695) 30.501 2.842 ( -29.419 0.715 -2.023) 29.498 2.842 ( 29.419 0.715 -2.023) 29.498 3.646 ( -22.576 24.426 1.734) 33.306 3.646 ( 22.576 24.426 1.734) 33.306 6.083 ( -29.805 0.235 -1.076) 29.825 6.083 ( 29.805 0.235 -1.076) 29.825 12.058 ( -34.807 2.218 7.371) 35.648 12.058 ( 34.807 2.218 7.371) 35.648 12.817 ( -28.008 -2.629 5.157) 28.600 12.817 ( 28.008 -2.629 5.157) 28.600 16.848 ( -11.768 0.142 -3.685) 12.332 16.848 ( 11.768 0.142 -3.685) 12.332 17.813 ( -20.779 -7.769 -10.599) 24.586 17.813 ( 20.779 -7.769 -10.599) 24.586 ======================= Grid point 99 (36/200) ======================= q-point: ( 0.00 0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 0.000 8.668 2.131) 8.926 0.452 ( 0.000 7.769 7.932) 11.102 0.903 ( 0.000 16.351 7.781) 18.108 1.025 ( 0.000 -1.439 0.251) 1.460 1.201 ( 0.000 -4.416 5.477) 7.036 1.714 ( 0.000 0.109 5.760) 5.761 1.787 ( 0.000 -0.799 4.398) 4.470 1.838 ( 0.000 2.627 -0.115) 2.630 1.941 ( 0.000 0.350 0.074) 0.358 2.109 ( 0.000 -4.284 -0.833) 4.364 3.380 ( 0.000 5.902 0.019) 5.902 3.646 ( 0.000 2.527 6.094) 6.597 4.113 ( 0.000 1.863 -0.498) 1.928 4.186 ( 0.000 0.503 -1.228) 1.327 7.089 ( 0.000 24.771 -53.529) 58.983 7.326 ( 0.000 3.327 -2.850) 4.381 10.436 ( 0.000 6.698 8.126) 10.531 11.298 ( 0.000 -6.153 3.060) 6.872 14.150 ( 0.000 -0.136 5.162) 5.163 14.382 ( 0.000 -12.291 24.629) 27.526 15.969 ( 0.000 -1.350 -7.191) 7.317 16.191 ( 0.000 -4.360 -10.532) 11.399 16.972 ( 0.000 1.191 6.658) 6.763 17.166 ( 0.000 -1.347 3.420) 3.676 ======================= Grid point 100 (37/200) ======================= q-point: ( 0.12 0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( 3.562 6.986 7.078) 10.563 0.621 ( 12.358 8.385 1.686) 15.029 1.017 ( 13.193 14.029 6.109) 20.204 1.185 ( 11.397 -2.805 1.230) 11.802 1.209 ( 5.306 -4.022 3.824) 7.678 1.649 ( -5.733 0.121 4.979) 7.594 1.768 ( -2.590 -1.134 2.819) 3.992 1.781 ( -6.879 1.319 0.653) 7.035 1.915 ( -1.701 -0.451 0.576) 1.852 2.108 ( -0.037 -3.924 -0.789) 4.003 3.232 ( -2.163 13.184 3.156) 13.728 3.975 ( -6.178 0.720 1.082) 6.314 4.092 ( -9.924 0.332 -1.003) 9.980 4.114 ( 27.401 0.996 0.112) 27.419 6.523 ( -49.331 37.116 -33.875) 70.418 7.240 ( -9.133 2.712 -2.709) 9.905 10.569 ( 13.998 6.484 7.906) 17.334 11.410 ( 11.703 -6.050 2.907) 13.491 13.933 ( -21.945 -0.545 9.746) 24.018 14.185 ( -17.072 -5.474 15.373) 23.616 16.051 ( 9.482 -0.693 -7.594) 12.168 16.400 ( 18.407 -6.108 -8.784) 21.291 17.159 ( -0.676 -0.999 2.858) 3.103 17.362 ( 30.189 -13.273 -2.959) 33.111 ======================= Grid point 101 (38/200) ======================= q-point: ( 0.25 0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 6.691 5.111 5.167) 9.879 0.784 ( 6.136 10.434 2.958) 12.460 1.200 ( 0.219 -4.011 3.868) 5.576 1.295 ( 4.520 5.802 4.098) 8.419 1.553 ( 10.804 -0.761 0.042) 10.831 1.585 ( 2.591 1.363 1.191) 3.161 1.596 ( -1.673 1.094 3.599) 4.117 1.746 ( 5.258 -3.571 -0.258) 6.361 1.904 ( 0.548 -2.081 1.022) 2.383 2.124 ( 2.989 -2.038 -0.775) 3.700 3.364 ( 14.535 21.420 3.165) 26.079 3.676 ( -20.785 2.106 -0.593) 20.900 3.815 ( -18.999 0.653 -1.473) 19.067 4.762 ( 35.850 -0.770 -1.075) 35.875 5.602 ( -44.333 41.986 -11.619) 62.155 6.989 ( -17.425 1.252 -2.340) 17.626 10.944 ( 25.297 5.864 7.545) 27.041 11.722 ( 21.071 -5.634 2.743) 21.983 13.421 ( -30.954 1.410 10.790) 32.811 13.792 ( -24.497 -3.755 8.199) 26.104 16.299 ( 15.698 0.222 -7.168) 17.258 16.798 ( 22.889 -7.228 -7.723) 25.215 17.128 ( -2.899 -0.107 1.089) 3.098 17.786 ( 12.322 -19.671 -9.642) 25.135 ======================= Grid point 102 (39/200) ======================= q-point: ( 0.38 0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 9.010 3.417 3.652) 10.305 0.888 ( 5.050 8.159 2.839) 10.006 1.172 ( -6.327 -1.307 1.853) 6.721 1.184 ( -7.327 2.589 3.667) 8.592 1.410 ( -4.216 2.722 3.152) 5.926 1.526 ( -6.012 -1.234 3.188) 6.916 1.903 ( 2.982 -4.843 -0.777) 5.741 1.922 ( 4.117 -5.806 -0.439) 7.131 2.097 ( 28.752 2.750 0.070) 28.884 2.349 ( 22.991 1.329 -1.610) 23.086 3.211 ( -27.195 2.666 -0.731) 27.335 3.374 ( -25.305 0.429 -1.457) 25.351 3.761 ( 23.297 27.796 1.461) 36.298 4.839 ( -33.315 38.299 -4.567) 50.966 5.463 ( 33.729 -1.735 0.292) 33.774 6.594 ( -24.584 -0.310 -1.837) 24.655 11.491 ( 32.275 5.058 7.350) 33.486 12.176 ( 26.168 -4.744 2.438) 26.706 12.807 ( -33.475 2.501 10.008) 35.029 13.287 ( -28.702 -4.155 5.727) 29.561 16.599 ( 15.454 0.809 -5.876) 16.554 17.032 ( -6.702 0.642 -1.541) 6.907 17.233 ( 21.916 -8.938 -7.763) 24.910 17.832 ( -6.049 -16.083 -9.921) 19.842 ======================= Grid point 103 (40/200) ======================= q-point: (-0.50 0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -7.149 2.717 2.850) 8.161 0.897 ( 7.149 2.717 2.850) 8.161 1.083 ( -3.316 4.739 2.362) 6.247 1.083 ( 3.316 4.739 2.362) 6.247 1.423 ( -4.168 -0.597 3.373) 5.395 1.423 ( 4.168 -0.597 3.373) 5.395 1.935 ( -1.074 -5.459 -0.403) 5.578 1.935 ( 1.074 -5.459 -0.403) 5.578 2.665 ( -30.370 2.835 -0.804) 30.512 2.665 ( 30.370 2.835 -0.804) 30.512 2.858 ( -28.637 0.659 -1.923) 28.709 2.858 ( 28.637 0.659 -1.923) 28.709 4.256 ( -28.802 33.223 -0.056) 43.970 4.256 ( 28.802 33.223 -0.056) 43.970 6.075 ( -30.525 -1.481 -1.178) 30.584 6.075 ( 30.525 -1.481 -1.178) 30.584 12.123 ( -33.992 4.218 6.999) 34.960 12.123 ( 33.992 4.218 6.999) 34.960 12.741 ( -28.526 -4.819 5.166) 29.388 12.741 ( 28.526 -4.819 5.166) 29.388 16.857 ( -11.767 1.010 -3.857) 12.424 16.857 ( 11.767 1.010 -3.857) 12.424 17.607 ( -16.931 -11.906 -8.838) 22.506 17.607 ( 16.931 -11.906 -8.838) 22.506 ======================= Grid point 108 (41/200) ======================= q-point: ( 0.00 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 0.000 7.884 1.046) 7.953 0.618 ( 0.000 8.485 6.893) 10.932 0.959 ( 0.000 -3.429 0.646) 3.489 1.094 ( 0.000 -6.135 5.541) 8.267 1.250 ( 0.000 15.900 4.250) 16.458 1.717 ( 0.000 0.186 5.634) 5.637 1.770 ( 0.000 -0.839 4.598) 4.674 1.886 ( 0.000 2.001 -0.063) 2.003 1.945 ( 0.000 -0.043 0.234) 0.238 1.993 ( 0.000 -7.189 0.131) 7.190 3.504 ( 0.000 6.013 1.522) 6.203 3.681 ( 0.000 0.792 5.800) 5.854 4.152 ( 0.000 1.844 -0.922) 2.062 4.196 ( 0.000 0.391 -1.495) 1.545 7.385 ( 0.000 7.529 -29.215) 30.170 7.396 ( 0.000 3.333 -4.725) 5.782 10.593 ( 0.000 8.660 7.197) 11.260 11.151 ( 0.000 -8.212 3.916) 9.098 14.149 ( 0.000 -0.004 5.790) 5.790 14.226 ( 0.000 -4.418 14.945) 15.584 15.949 ( 0.000 -0.397 -7.463) 7.473 16.096 ( 0.000 -4.709 -9.541) 10.639 17.003 ( 0.000 1.866 5.681) 5.980 17.133 ( 0.000 -1.880 3.698) 4.148 ======================= Grid point 109 (42/200) ======================= q-point: ( 0.12 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 2.064 7.941 6.336) 10.367 0.783 ( 14.342 7.587 0.532) 16.234 1.091 ( 0.572 -6.027 4.911) 7.796 1.133 ( 15.975 -3.739 0.145) 16.408 1.311 ( 7.398 14.311 3.911) 16.578 1.656 ( -5.509 0.591 4.670) 7.246 1.737 ( -3.680 -1.599 3.589) 5.383 1.812 ( -7.715 1.533 0.624) 7.891 1.900 ( -3.429 -1.035 1.082) 3.742 2.001 ( 1.023 -6.693 0.163) 6.773 3.508 ( 8.000 13.416 3.323) 15.969 3.978 ( 4.210 -0.873 2.445) 4.946 4.096 ( -6.234 0.179 -0.875) 6.298 4.122 ( 10.355 -0.291 -1.319) 10.443 7.032 ( -33.633 15.910 -22.490) 43.475 7.290 ( -11.079 1.944 -4.340) 12.057 10.722 ( 13.482 8.411 7.038) 17.379 11.266 ( 12.032 -8.041 3.818) 14.967 13.935 ( -20.157 0.816 8.876) 22.040 14.090 ( -14.808 -4.015 10.296) 18.477 16.049 ( 10.787 0.668 -7.811) 13.335 16.273 ( 16.520 -6.120 -8.725) 19.659 17.138 ( 0.982 -1.048 3.087) 3.404 17.189 ( 15.621 -4.858 1.935) 16.473 ======================= Grid point 110 (43/200) ======================= q-point: ( 0.25 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 4.704 6.388 4.706) 9.224 0.990 ( 6.484 9.395 1.005) 11.460 1.098 ( 0.767 -5.277 4.290) 6.844 1.387 ( -1.032 1.239 2.774) 3.209 1.532 ( 12.611 -0.198 0.646) 12.629 1.625 ( -4.928 0.538 2.467) 5.538 1.640 ( -1.632 3.416 2.044) 4.302 1.690 ( 10.456 0.018 0.224) 10.458 1.851 ( -1.244 -2.987 2.104) 3.860 2.061 ( 7.200 -4.255 -0.036) 8.363 3.715 ( -18.484 3.408 -0.013) 18.796 3.752 ( -2.393 7.709 1.283) 8.173 3.884 ( 3.806 12.561 -0.851) 13.153 4.697 ( 35.339 -5.646 0.172) 35.788 6.300 ( -40.833 26.879 -11.546) 50.231 6.994 ( -20.052 -1.192 -3.414) 20.376 11.083 ( 24.409 7.712 6.768) 26.478 11.588 ( 21.767 -7.506 3.688) 23.318 13.462 ( -29.099 2.705 9.023) 30.585 13.707 ( -24.907 -4.499 7.332) 26.350 16.319 ( 16.657 1.896 -7.431) 18.338 16.641 ( 21.322 -7.881 -7.901) 24.066 17.135 ( -1.488 0.895 1.008) 2.008 17.459 ( 10.088 -12.508 -3.241) 16.393 ======================= Grid point 111 (44/200) ======================= q-point: ( 0.38 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 7.579 4.845 3.043) 9.496 1.057 ( 0.842 7.896 1.294) 8.045 1.115 ( 0.798 -3.328 2.548) 4.267 1.246 ( -8.335 2.688 3.120) 9.297 1.480 ( -5.718 3.784 2.636) 7.346 1.504 ( -5.579 -0.331 3.250) 6.465 1.767 ( 4.752 -7.567 -0.032) 8.935 1.816 ( -0.428 -5.426 0.932) 5.522 2.168 ( 29.170 4.089 -0.286) 29.456 2.356 ( 23.860 -0.691 -1.279) 23.904 3.268 ( -26.892 2.854 -0.942) 27.060 3.376 ( -25.598 -0.316 -1.469) 25.642 4.328 ( 29.201 26.939 0.759) 39.737 5.357 ( 31.566 -3.982 -2.028) 31.881 5.577 ( -33.202 28.240 -3.252) 43.709 6.553 ( -26.714 -4.232 -2.363) 27.150 11.612 ( 31.264 6.759 6.670) 32.674 12.059 ( 27.796 -6.596 3.670) 28.802 12.874 ( -32.978 4.032 8.306) 34.246 13.190 ( -29.499 -5.301 5.746) 30.517 16.633 ( 15.990 2.710 -6.166) 17.351 17.028 ( 15.312 -7.338 -6.677) 18.245 17.073 ( -1.586 0.053 -2.364) 2.847 17.524 ( -3.135 -13.689 -5.980) 15.264 ======================= Grid point 112 (45/200) ======================= q-point: (-0.50 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -8.467 4.320 1.865) 9.686 0.971 ( 8.467 4.320 1.865) 9.686 1.150 ( -2.861 1.385 2.152) 3.839 1.150 ( 2.861 1.385 2.152) 3.839 1.434 ( -1.011 2.246 3.331) 4.143 1.434 ( 1.011 2.246 3.331) 4.143 1.807 ( -0.753 -7.002 0.625) 7.070 1.807 ( 0.753 -7.002 0.625) 7.070 2.730 ( -29.906 3.378 -0.996) 30.113 2.730 ( 29.906 3.378 -0.996) 30.113 2.862 ( -28.292 -0.309 -1.735) 28.347 2.862 ( 28.292 -0.309 -1.735) 28.347 4.911 ( -32.774 30.186 -1.168) 44.572 4.911 ( 32.774 30.186 -1.168) 44.572 6.003 ( -31.698 -6.144 -1.343) 32.316 6.003 ( 31.698 -6.144 -1.343) 32.316 12.225 ( -32.842 5.775 6.488) 33.971 12.225 ( 32.842 5.775 6.488) 33.971 12.627 ( -29.332 -6.274 5.270) 30.454 12.627 ( 29.332 -6.274 5.270) 30.454 16.896 ( -11.697 3.000 -4.164) 12.773 16.896 ( 11.697 3.000 -4.164) 12.773 17.360 ( -13.724 -11.901 -6.991) 19.464 17.360 ( 13.724 -11.901 -6.991) 19.464 ======================= Grid point 117 (46/200) ======================= q-point: ( 0.00 0.44 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 0.000 6.475 0.449) 6.490 0.788 ( 0.000 7.786 5.487) 9.526 0.875 ( 0.000 -4.453 1.110) 4.589 0.955 ( 0.000 -7.418 5.841) 9.442 1.548 ( 0.000 13.128 2.776) 13.418 1.715 ( 0.000 -1.333 5.111) 5.282 1.756 ( 0.000 -0.268 4.676) 4.684 1.822 ( 0.000 -8.673 1.358) 8.779 1.920 ( 0.000 1.217 0.144) 1.226 1.938 ( 0.000 -0.601 0.228) 0.643 3.611 ( 0.000 4.302 3.138) 5.325 3.673 ( 0.000 -1.733 4.626) 4.940 4.183 ( 0.000 1.184 -1.265) 1.733 4.198 ( 0.000 -0.279 -1.463) 1.489 7.452 ( 0.000 1.931 -8.644) 8.857 7.463 ( 0.000 1.130 -15.956) 15.996 10.779 ( 0.000 9.511 6.115) 11.307 10.972 ( 0.000 -9.343 4.980) 10.587 14.152 ( 0.000 0.429 7.079) 7.092 14.170 ( 0.000 -1.552 9.701) 9.824 15.959 ( 0.000 1.492 -7.929) 8.068 16.011 ( 0.000 -3.525 -8.630) 9.322 17.045 ( 0.000 2.230 4.813) 5.305 17.091 ( 0.000 -2.211 4.153) 4.705 ======================= Grid point 118 (47/200) ======================= q-point: ( 0.12 0.44 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 0.958 7.985 5.728) 9.873 0.926 ( 15.407 6.465 0.031) 16.709 0.954 ( 0.191 -7.303 5.339) 9.049 1.044 ( 15.930 -5.104 -0.107) 16.728 1.578 ( 3.168 11.099 2.617) 11.835 1.670 ( -4.275 0.305 3.908) 5.800 1.713 ( -4.185 0.089 3.971) 5.770 1.826 ( -1.583 -5.620 0.634) 5.873 1.853 ( -3.512 -1.897 1.557) 4.284 1.876 ( -5.129 -1.507 1.335) 5.510 3.753 ( 15.949 10.425 3.404) 19.355 3.917 ( 16.675 -5.533 3.443) 17.903 4.101 ( -7.317 0.396 -1.591) 7.498 4.111 ( -4.877 -0.569 -1.810) 5.233 7.242 ( -22.083 5.982 -13.414) 26.522 7.306 ( -15.023 -0.771 -7.639) 16.871 10.903 ( 12.952 9.268 6.000) 17.019 11.091 ( 12.458 -9.126 4.888) 16.198 13.965 ( -18.040 2.131 8.005) 19.852 14.019 ( -15.985 -3.102 8.214) 18.238 16.083 ( 12.513 2.757 -8.026) 15.119 16.161 ( 14.462 -4.829 -8.354) 17.386 17.123 ( 3.859 -0.281 3.240) 5.047 17.132 ( 6.898 -1.345 2.993) 7.638 ======================= Grid point 119 (48/200) ======================= q-point: ( 0.25 0.44 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 2.994 6.769 4.379) 8.600 0.967 ( 1.559 -6.423 4.082) 7.768 1.183 ( 8.495 8.365 0.364) 11.928 1.330 ( 8.207 -5.752 0.382) 10.029 1.552 ( -2.064 1.658 2.224) 3.457 1.592 ( -5.805 -2.229 2.230) 6.606 1.700 ( -7.035 3.093 2.406) 8.053 1.754 ( 0.855 -0.351 0.672) 1.143 1.823 ( 11.804 4.177 2.458) 12.760 1.952 ( 11.937 -6.353 0.755) 13.544 3.759 ( -19.650 1.701 -0.643) 19.734 3.784 ( -18.232 -0.599 -0.556) 18.251 4.238 ( 27.538 16.968 0.941) 32.360 4.527 ( 32.670 -11.343 0.626) 34.588 6.714 ( -32.229 14.703 -8.354) 36.396 6.922 ( -24.886 -6.401 -5.401) 26.258 11.250 ( 23.473 8.586 5.810) 25.660 11.424 ( 22.579 -8.504 4.750) 24.590 13.529 ( -27.398 3.846 7.693) 28.716 13.615 ( -25.951 -4.500 7.111) 27.282 16.381 ( 17.911 4.287 -7.641) 19.939 16.492 ( 19.509 -6.591 -7.825) 22.029 17.172 ( 1.199 3.036 0.659) 3.330 17.268 ( 5.292 -6.733 -0.417) 8.574 ======================= Grid point 120 (49/200) ======================= q-point: ( 0.38 0.44 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 6.239 5.321 2.728) 8.642 1.023 ( 4.526 -4.867 2.591) 7.133 1.209 ( -5.101 5.710 0.664) 7.686 1.274 ( -7.647 -0.587 1.773) 7.872 1.511 ( -1.621 2.662 2.743) 4.152 1.580 ( -3.346 4.243 2.159) 5.819 1.618 ( 2.100 -5.764 1.951) 6.438 1.700 ( -2.706 -5.833 1.956) 6.721 2.252 ( 27.751 3.980 -0.613) 28.042 2.321 ( 25.711 -2.669 -0.939) 25.866 3.321 ( -26.323 2.329 -1.147) 26.450 3.359 ( -25.846 -1.343 -1.336) 25.915 4.818 ( 32.875 20.983 0.103) 39.000 5.167 ( 34.682 -13.399 -0.410) 37.183 6.086 ( -34.075 20.385 -4.095) 39.917 6.402 ( -30.075 -11.134 -3.195) 32.229 11.759 ( 30.154 7.622 5.812) 31.640 11.914 ( 29.029 -7.577 4.810) 30.385 12.968 ( -31.837 5.161 6.948) 32.992 13.078 ( -30.582 -5.625 6.106) 31.689 16.714 ( 16.792 5.416 -6.515) 18.809 16.852 ( 18.029 -8.096 -6.947) 20.949 17.142 ( -4.799 5.340 -2.199) 7.509 17.290 ( -3.379 -9.371 -3.500) 10.559 ======================= Grid point 121 (50/200) ======================= q-point: (-0.50 0.44 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -8.608 4.316 1.493) 9.744 1.061 ( 8.608 4.316 1.493) 9.744 1.134 ( -7.012 -2.624 1.693) 7.676 1.134 ( 7.012 -2.624 1.693) 7.676 1.521 ( -2.153 5.984 2.840) 6.965 1.521 ( 2.153 5.984 2.840) 6.965 1.659 ( -1.904 -7.337 1.790) 7.788 1.659 ( 1.904 -7.337 1.790) 7.788 2.795 ( -29.191 2.891 -1.232) 29.360 2.795 ( 29.191 2.891 -1.232) 29.360 2.842 ( -28.545 -1.695 -1.490) 28.634 2.842 ( 28.545 -1.695 -1.490) 28.634 5.446 ( -33.778 22.245 -1.547) 40.474 5.446 ( 33.778 22.245 -1.547) 40.474 5.807 ( -33.024 -13.490 -1.515) 35.706 5.807 ( 33.024 -13.490 -1.515) 35.706 12.353 ( -31.576 6.704 5.961) 32.825 12.353 ( 31.576 6.704 5.961) 32.825 12.492 ( -30.370 -6.894 5.533) 31.630 12.492 ( 30.370 -6.894 5.533) 31.630 16.986 ( -11.672 5.996 -4.689) 13.935 16.986 ( 11.672 5.996 -4.689) 13.935 17.142 ( -12.118 -9.356 -5.585) 16.297 17.142 ( 12.118 -9.356 -5.585) 16.297 ======================= Grid point 162 (51/200) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.304 ( 0.000 0.000 6.179) 6.179 0.373 ( 0.000 0.000 9.314) 9.314 0.848 ( 0.000 0.000 19.505) 19.505 1.079 ( 0.000 0.000 1.264) 1.264 1.444 ( 0.000 0.000 8.867) 8.867 1.756 ( 0.000 0.000 -0.482) 0.482 1.866 ( 0.000 0.000 8.848) 8.848 1.904 ( 0.000 0.000 -1.206) 1.206 1.922 ( 0.000 0.000 6.899) 6.899 2.128 ( 0.000 0.000 -3.920) 3.920 3.202 ( 0.000 0.000 -2.644) 2.644 3.235 ( 0.000 0.000 -8.767) 8.767 4.067 ( 0.000 0.000 -0.227) 0.227 4.324 ( 0.000 0.000 -3.336) 3.336 4.649 ( 0.000 0.000 15.993) 15.993 7.190 ( 0.000 0.000 -3.897) 3.897 10.544 ( 0.000 0.000 15.610) 15.610 11.507 ( 0.000 0.000 5.541) 5.541 14.279 ( 0.000 0.000 7.141) 7.141 15.323 ( 0.000 0.000 -3.736) 3.736 15.831 ( 0.000 0.000 -10.479) 10.479 16.027 ( 0.000 0.000 -13.848) 13.848 17.098 ( 0.000 0.000 6.316) 6.316 17.265 ( 0.000 0.000 3.305) 3.305 ======================= Grid point 163 (52/200) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 4.624 0.000 8.002) 9.242 0.523 ( 13.829 0.000 6.172) 15.144 0.958 ( 12.708 0.000 15.829) 20.299 1.238 ( 15.933 0.000 0.132) 15.934 1.447 ( 0.568 0.000 8.326) 8.345 1.712 ( -6.315 0.000 -1.012) 6.396 1.796 ( -6.331 0.000 8.404) 10.522 1.891 ( -0.762 0.000 -1.543) 1.721 1.903 ( -2.477 0.000 5.917) 6.415 2.118 ( -0.924 0.000 -3.817) 3.927 2.845 ( -10.743 0.000 -1.450) 10.840 3.735 ( 24.613 0.000 -7.958) 25.868 3.948 ( -12.493 0.000 -0.476) 12.502 4.162 ( -15.481 0.000 -1.744) 15.579 4.667 ( 3.941 0.000 15.409) 15.905 7.114 ( -8.006 0.000 -3.811) 8.867 10.675 ( 13.869 0.000 15.241) 20.607 11.613 ( 11.109 0.000 5.374) 12.341 14.121 ( -16.975 0.000 8.031) 18.779 14.786 ( -38.381 0.000 12.821) 40.466 15.890 ( 7.903 0.000 -11.264) 13.760 16.312 ( 21.455 0.000 -15.341) 26.375 17.237 ( -2.965 0.000 2.295) 3.749 17.533 ( 29.738 0.000 -16.044) 33.790 ======================= Grid point 164 (53/200) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 7.707 0.000 5.462) 9.446 0.710 ( 7.713 0.000 10.179) 12.771 1.245 ( 10.352 0.000 8.568) 13.438 1.470 ( 3.986 0.000 8.458) 9.350 1.490 ( -15.789 0.000 -1.572) 15.867 1.627 ( 20.683 0.000 0.236) 20.685 1.696 ( -0.648 0.000 6.785) 6.816 1.855 ( 1.341 0.000 2.169) 2.550 1.904 ( 1.994 0.000 -1.949) 2.789 2.097 ( -1.470 0.000 -3.357) 3.665 2.838 ( 8.591 0.000 2.316) 8.897 3.615 ( -22.344 0.000 -1.013) 22.367 3.799 ( -22.602 0.000 -1.828) 22.675 3.970 ( -1.167 0.000 -1.440) 1.853 4.928 ( 24.759 0.000 7.191) 25.782 6.892 ( -15.693 0.000 -3.542) 16.087 11.050 ( 25.471 0.000 14.325) 29.223 11.910 ( 20.115 0.000 5.081) 20.747 13.660 ( -30.771 0.000 12.136) 33.078 14.120 ( -32.554 0.000 12.883) 35.010 16.123 ( 15.760 0.000 -11.001) 19.220 16.746 ( 24.148 0.000 -14.202) 28.015 17.148 ( -6.561 0.000 -0.195) 6.564 17.894 ( 7.745 0.000 -24.186) 25.396 ======================= Grid point 165 (54/200) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 10.145 0.000 3.056) 10.595 0.859 ( 8.653 0.000 10.031) 13.248 1.186 ( -15.639 0.000 -0.573) 15.649 1.223 ( -8.360 0.000 8.031) 11.592 1.499 ( 1.299 0.000 8.886) 8.980 1.654 ( -5.513 0.000 6.450) 8.485 1.953 ( 2.962 0.000 -2.377) 3.798 2.044 ( 27.330 0.000 0.148) 27.330 2.060 ( -2.394 0.000 -3.015) 3.850 2.217 ( 28.716 0.000 -3.371) 28.913 3.100 ( 17.781 0.000 4.350) 18.306 3.138 ( -27.933 0.000 -1.494) 27.973 3.325 ( -27.660 0.000 -2.853) 27.806 3.791 ( -15.188 0.000 3.988) 15.703 5.481 ( 31.355 0.000 0.427) 31.358 6.530 ( -22.700 0.000 -3.017) 22.900 11.603 ( 32.753 0.000 13.425) 35.398 12.331 ( 22.226 0.000 4.858) 22.751 13.043 ( -31.831 0.000 14.747) 35.081 13.533 ( -30.584 0.000 9.087) 31.905 16.440 ( 17.133 0.000 -9.369) 19.528 16.982 ( -10.545 0.000 -3.180) 11.014 17.199 ( 22.937 0.000 -15.241) 27.539 17.866 ( -9.212 0.000 -21.131) 23.052 ======================= Grid point 166 (55/200) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -12.821 0.000 1.054) 12.864 0.918 ( 12.821 0.000 1.054) 12.864 1.038 ( -10.241 0.000 9.061) 13.674 1.038 ( 10.241 0.000 9.061) 13.674 1.555 ( -4.467 0.000 7.116) 8.402 1.555 ( 4.467 0.000 7.116) 8.402 2.009 ( -2.950 0.000 -2.723) 4.015 2.009 ( 2.950 0.000 -2.723) 4.015 2.590 ( -29.792 0.000 -1.299) 29.821 2.590 ( 29.792 0.000 -1.299) 29.821 2.778 ( -30.126 0.000 -3.401) 30.318 2.778 ( 30.126 0.000 -3.401) 30.318 3.458 ( -19.380 0.000 5.043) 20.026 3.458 ( 19.380 0.000 5.043) 20.026 6.048 ( -28.438 0.000 -1.981) 28.507 6.048 ( 28.438 0.000 -1.981) 28.507 12.236 ( -32.265 0.000 11.905) 34.391 12.236 ( 32.265 0.000 11.905) 34.391 12.986 ( -25.755 0.000 8.591) 27.150 12.986 ( 25.755 0.000 8.591) 27.150 16.742 ( -14.758 0.000 -6.628) 16.178 16.742 ( 14.758 0.000 -6.628) 16.178 17.596 ( -18.585 0.000 -17.514) 25.537 17.596 ( 18.585 0.000 -17.514) 25.537 ======================= Grid point 171 (56/200) ======================= q-point: ( 0.00 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( 0.000 5.029 4.679) 6.869 0.455 ( 0.000 6.507 7.714) 10.092 0.919 ( 0.000 7.215 17.151) 18.607 1.067 ( 0.000 -1.139 1.358) 1.772 1.416 ( 0.000 -2.645 8.495) 8.898 1.780 ( 0.000 2.196 -0.356) 2.225 1.867 ( 0.000 0.036 8.820) 8.821 1.908 ( 0.000 -0.325 2.979) 2.997 1.928 ( 0.000 0.905 2.935) 3.072 2.122 ( 0.000 -0.770 -3.049) 3.145 3.249 ( 0.000 4.510 -2.124) 4.985 3.526 ( 0.000 16.757 -7.556) 18.382 4.076 ( 0.000 0.858 -0.385) 0.940 4.227 ( 0.000 -4.092 2.834) 4.977 5.231 ( 0.000 46.271 -17.217) 49.370 7.207 ( 0.000 1.562 -4.166) 4.450 10.576 ( 0.000 3.108 15.282) 15.595 11.478 ( 0.000 -2.821 5.831) 6.477 14.280 ( 0.000 0.113 7.262) 7.263 15.121 ( 0.000 -16.788 5.414) 17.639 15.813 ( 0.000 -1.426 -10.637) 10.733 16.004 ( 0.000 -2.218 -13.780) 13.958 17.099 ( 0.000 0.138 6.234) 6.236 17.259 ( 0.000 -0.623 3.377) 3.434 ======================= Grid point 172 (57/200) ======================= q-point: ( 0.12 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 3.929 5.944 6.974) 9.970 0.564 ( 13.911 3.890 5.179) 15.345 1.014 ( 11.167 5.985 14.313) 19.115 1.225 ( 15.902 -1.261 0.008) 15.952 1.414 ( -0.071 -2.962 7.949) 8.484 1.731 ( -6.539 1.382 -0.366) 6.694 1.797 ( -6.129 0.329 8.326) 10.344 1.870 ( -3.302 -1.298 2.160) 4.154 1.925 ( -0.684 1.227 2.640) 2.991 2.117 ( -0.536 -0.467 -2.872) 2.959 3.018 ( -8.672 12.723 -0.054) 15.397 3.912 ( 19.147 10.242 -8.459) 23.303 3.958 ( -11.455 1.029 -0.501) 11.512 4.156 ( -2.870 -0.330 0.208) 2.896 5.056 ( -14.220 36.821 -5.016) 39.789 7.130 ( -8.157 1.405 -4.053) 9.216 10.706 ( 13.753 3.009 14.920) 20.513 11.584 ( 11.197 -2.743 5.664) 12.845 14.118 ( -17.234 -0.275 8.229) 19.099 14.700 ( -33.019 -7.769 13.926) 36.668 15.877 ( 8.355 -1.174 -11.381) 14.167 16.268 ( 21.175 -4.055 -14.804) 26.153 17.232 ( -2.875 -0.473 2.356) 3.747 17.447 ( 25.763 -6.951 -9.657) 28.378 ======================= Grid point 173 (58/200) ======================= q-point: ( 0.25 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 6.820 4.613 5.257) 9.769 0.752 ( 7.283 4.330 9.248) 12.543 1.278 ( 8.919 3.318 7.585) 12.169 1.407 ( -2.364 -3.516 5.226) 6.727 1.542 ( -4.899 2.326 1.604) 5.655 1.612 ( 17.815 -1.149 0.428) 17.858 1.694 ( -0.699 0.095 6.938) 6.974 1.814 ( -0.051 -2.865 1.002) 3.035 1.927 ( 1.602 1.087 0.085) 1.938 2.106 ( -0.266 0.484 -2.615) 2.673 3.033 ( 9.338 16.853 2.863) 19.479 3.626 ( -22.118 1.116 -1.063) 22.172 3.779 ( -20.229 -0.482 -1.812) 20.316 4.328 ( -1.332 27.993 -9.801) 29.690 4.981 ( 15.298 7.110 6.948) 18.244 6.903 ( -15.922 1.015 -3.719) 16.382 11.078 ( 25.264 2.707 14.045) 29.032 11.885 ( 20.321 -2.489 5.367) 21.165 13.658 ( -30.471 -0.198 12.046) 32.767 14.088 ( -31.459 -3.074 12.585) 34.022 16.117 ( 16.050 -0.530 -11.086) 19.513 16.700 ( 24.017 -4.441 -14.112) 28.208 17.145 ( -6.459 -0.247 -0.161) 6.466 17.787 ( 8.534 -9.434 -19.322) 23.134 ======================= Grid point 174 (59/200) ======================= q-point: ( 0.38 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 9.215 3.289 3.383) 10.353 0.887 ( 7.620 3.038 9.225) 12.345 1.200 ( -13.690 1.147 0.613) 13.751 1.244 ( -8.114 1.779 7.067) 10.906 1.498 ( 0.215 0.131 8.514) 8.517 1.642 ( -5.686 -1.084 6.052) 8.374 1.937 ( 4.025 -1.403 -1.837) 4.642 1.998 ( 7.347 -4.016 -2.021) 8.613 2.067 ( 21.501 0.964 0.080) 21.522 2.254 ( 23.853 2.770 -3.334) 24.244 3.147 ( -27.018 1.519 -1.266) 27.091 3.309 ( 4.848 13.187 2.405) 14.254 3.333 ( -14.076 6.090 -1.644) 15.424 4.082 ( -18.945 26.489 0.287) 32.568 5.482 ( 31.157 0.023 0.448) 31.160 6.538 ( -22.936 0.555 -3.127) 23.155 11.627 ( 32.530 2.310 13.194) 35.179 12.313 ( 23.253 -1.736 5.121) 23.873 13.043 ( -32.280 0.106 14.400) 35.346 13.509 ( -30.571 -2.399 9.045) 31.971 16.437 ( 17.281 -0.159 -9.453) 19.698 16.981 ( -10.361 -0.066 -3.217) 10.849 17.147 ( 22.377 -4.948 -14.890) 27.330 17.782 ( -7.937 -7.770 -18.805) 21.840 ======================= Grid point 175 (60/200) ======================= q-point: (-0.50 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -9.798 1.180 2.541) 10.191 0.935 ( 9.798 1.180 2.541) 10.191 1.074 ( -7.725 3.586 7.395) 11.279 1.074 ( 7.725 3.586 7.395) 11.279 1.544 ( -4.234 -0.956 6.895) 8.148 1.544 ( 4.234 -0.956 6.895) 8.148 1.989 ( -2.289 -2.020 -1.976) 3.637 1.989 ( 2.289 -2.020 -1.976) 3.637 2.601 ( -29.775 1.247 -1.329) 29.831 2.601 ( 29.775 1.247 -1.329) 29.831 2.786 ( -29.599 0.753 -3.411) 29.804 2.786 ( 29.599 0.753 -3.411) 29.804 3.698 ( -21.237 22.082 3.428) 30.828 3.698 ( 21.237 22.082 3.428) 30.828 6.051 ( -28.633 0.139 -2.045) 28.706 6.051 ( 28.633 0.139 -2.045) 28.706 12.255 ( -31.948 1.905 11.736) 34.088 12.255 ( 31.948 1.905 11.736) 34.088 12.959 ( -25.874 -2.620 8.608) 27.394 12.959 ( 25.874 -2.620 8.608) 27.394 16.742 ( -14.799 0.002 -6.702) 16.246 16.742 ( 14.799 0.002 -6.702) 16.246 17.532 ( -17.745 -6.048 -16.511) 24.982 17.532 ( 17.745 -6.048 -16.511) 24.982 ======================= Grid point 180 (61/200) ======================= q-point: ( 0.00 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 0.000 6.941 2.502) 7.378 0.600 ( 0.000 7.497 6.596) 9.986 1.027 ( 0.000 -1.993 -0.122) 1.997 1.129 ( 0.000 11.873 13.834) 18.230 1.341 ( 0.000 -4.726 7.742) 9.071 1.831 ( 0.000 2.401 0.269) 2.416 1.869 ( 0.000 0.341 8.308) 8.315 1.897 ( 0.000 -0.551 5.141) 5.170 1.946 ( 0.000 0.727 1.528) 1.692 2.088 ( 0.000 -2.819 -1.131) 3.037 3.375 ( 0.000 7.612 -0.553) 7.632 3.746 ( 0.000 6.060 2.088) 6.410 4.100 ( 0.000 1.387 -0.790) 1.596 4.178 ( 0.000 -1.133 1.045) 1.541 6.144 ( 0.000 38.673 -35.743) 52.661 7.244 ( 0.000 1.848 -5.240) 5.556 10.666 ( 0.000 5.682 14.366) 15.449 11.395 ( 0.000 -5.217 6.679) 8.475 14.284 ( 0.000 0.373 7.648) 7.657 14.777 ( 0.000 -15.164 13.550) 20.336 15.781 ( 0.000 -1.623 -10.977) 11.097 15.942 ( 0.000 -3.722 -13.525) 14.027 17.105 ( 0.000 0.548 5.957) 5.982 17.241 ( 0.000 -1.119 3.567) 3.738 ======================= Grid point 181 (62/200) ======================= q-point: ( 0.12 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 2.543 6.896 6.547) 9.843 0.669 ( 14.311 6.085 2.835) 15.807 1.180 ( 13.028 2.255 2.277) 13.417 1.201 ( 10.774 6.239 8.399) 15.018 1.334 ( -0.659 -4.867 7.305) 8.803 1.753 ( -8.022 0.699 2.234) 8.356 1.815 ( -5.029 1.361 6.093) 8.017 1.845 ( -5.107 -1.140 3.276) 6.174 1.943 ( -0.672 0.404 2.870) 2.975 2.088 ( 0.063 -2.524 -1.037) 2.729 3.293 ( -0.276 14.237 2.488) 14.456 3.982 ( -12.157 1.447 -0.611) 12.258 4.036 ( 1.784 2.713 -3.648) 4.883 4.152 ( 16.957 -0.289 2.236) 17.106 5.887 ( -24.142 38.914 -25.117) 52.230 7.162 ( -8.736 1.410 -5.005) 10.166 10.794 ( 13.443 5.513 14.027) 20.195 11.504 ( 11.439 -5.079 6.511) 14.108 14.113 ( -17.721 -0.077 8.718) 19.749 14.516 ( -23.838 -9.373 14.500) 29.434 15.853 ( 9.265 -0.935 -11.577) 14.857 16.165 ( 19.474 -5.671 -13.762) 24.511 17.218 ( -2.501 -0.789 2.529) 3.643 17.312 ( 17.040 -5.628 -1.798) 18.035 ======================= Grid point 182 (63/200) ======================= q-point: ( 0.25 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 4.954 5.175 5.734) 9.176 0.876 ( 7.313 7.333 6.027) 11.982 1.306 ( -2.004 -3.788 6.087) 7.444 1.395 ( 4.022 4.723 5.373) 8.207 1.551 ( 15.969 -1.554 -0.253) 16.047 1.614 ( 2.170 1.897 1.717) 3.355 1.704 ( -2.814 0.783 6.929) 7.520 1.756 ( -2.085 -2.625 1.652) 3.737 1.933 ( 0.267 -0.571 1.951) 2.050 2.103 ( 2.565 -0.945 -1.202) 2.986 3.437 ( 14.552 21.715 3.684) 26.398 3.658 ( -21.657 1.897 -1.266) 21.777 3.777 ( -19.942 0.119 -2.236) 20.067 4.704 ( 29.108 5.537 -5.386) 30.115 5.392 ( -23.995 32.337 -6.886) 40.851 6.921 ( -16.765 0.363 -4.385) 17.333 11.157 ( 24.707 5.004 13.253) 28.480 11.812 ( 20.863 -4.648 6.197) 22.254 13.657 ( -29.654 0.269 11.702) 31.881 14.004 ( -29.239 -4.914 11.789) 31.907 16.109 ( 16.737 -0.034 -11.259) 20.171 16.579 ( 23.317 -7.150 -13.674) 27.960 17.141 ( -5.994 -0.107 -0.124) 5.996 17.569 ( 7.911 -10.872 -10.780) 17.233 ======================= Grid point 183 (64/200) ======================= q-point: ( 0.38 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 7.574 3.374 4.348) 9.362 0.981 ( 4.368 5.806 6.401) 9.683 1.216 ( -7.957 -0.175 2.364) 8.303 1.285 ( -7.425 2.146 5.954) 9.756 1.515 ( -2.807 1.740 7.401) 8.104 1.614 ( -5.891 -1.574 5.316) 8.089 1.888 ( 5.165 -4.353 -0.385) 6.766 1.911 ( 4.116 -3.459 -0.554) 5.405 2.100 ( 25.557 2.368 0.308) 25.668 2.303 ( 21.646 1.766 -2.919) 21.913 3.187 ( -27.665 2.387 -1.640) 27.816 3.331 ( -26.572 0.287 -2.831) 26.724 3.802 ( 22.628 26.951 2.615) 35.288 4.733 ( -23.240 34.455 -5.407) 41.911 5.472 ( 29.283 -1.182 0.674) 29.315 6.540 ( -23.733 -0.778 -3.501) 24.003 11.695 ( 31.924 4.321 12.531) 34.566 12.260 ( 25.552 -3.570 5.943) 26.476 13.052 ( -33.044 0.923 13.386) 35.664 13.440 ( -30.621 -4.217 8.988) 32.190 16.439 ( 17.641 0.521 -9.673) 20.125 16.979 ( -3.807 -1.148 -4.637) 6.109 17.015 ( 15.049 -6.537 -12.663) 20.726 17.583 ( -6.038 -10.955 -13.833) 18.649 ======================= Grid point 184 (65/200) ======================= q-point: (-0.50 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -7.437 1.984 3.543) 8.473 0.964 ( 7.437 1.984 3.543) 8.473 1.161 ( -4.662 4.172 5.432) 8.285 1.161 ( 4.662 4.172 5.432) 8.285 1.524 ( -3.201 -0.734 6.527) 7.307 1.524 ( 3.201 -0.734 6.527) 7.307 1.927 ( -0.854 -3.999 -0.165) 4.093 1.927 ( 0.854 -3.999 -0.165) 4.093 2.641 ( -29.716 2.597 -1.561) 29.870 2.641 ( 29.716 2.597 -1.561) 29.870 2.804 ( -28.653 0.811 -3.366) 28.862 2.804 ( 28.653 0.811 -3.366) 28.862 4.260 ( -25.509 31.120 0.566) 40.243 4.260 ( 25.509 31.120 0.566) 40.243 6.040 ( -29.197 -1.663 -2.223) 29.329 6.040 ( 29.197 -1.663 -2.223) 29.329 12.312 ( -31.089 3.670 11.268) 33.271 12.312 ( 31.089 3.670 11.268) 33.271 12.883 ( -26.225 -4.733 8.689) 28.029 12.883 ( 26.225 -4.733 8.689) 28.029 16.747 ( -14.848 0.722 -6.930) 16.401 16.747 ( 14.848 0.722 -6.930) 16.401 17.369 ( -16.061 -9.506 -14.120) 23.403 17.369 ( 16.061 -9.506 -14.120) 23.403 ======================= Grid point 189 (66/200) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 0.000 6.922 1.061) 7.003 0.755 ( 0.000 7.675 5.975) 9.727 0.971 ( 0.000 -3.220 0.403) 3.245 1.228 ( 0.000 -6.271 7.081) 9.458 1.387 ( 0.000 12.869 9.237) 15.841 1.858 ( 0.000 0.281 5.807) 5.813 1.887 ( 0.000 -0.461 6.021) 6.038 1.892 ( 0.000 1.753 2.747) 3.259 1.955 ( 0.000 0.081 1.450) 1.453 2.003 ( 0.000 -5.591 0.996) 5.679 3.539 ( 0.000 8.078 1.715) 8.258 3.810 ( 0.000 0.697 5.771) 5.813 4.129 ( 0.000 1.387 -1.267) 1.879 4.167 ( 0.000 -0.166 -0.846) 0.862 6.752 ( 0.000 22.147 -29.943) 37.243 7.267 ( 0.000 0.040 -7.797) 7.797 10.800 ( 0.000 7.352 13.019) 14.951 11.271 ( 0.000 -6.924 8.007) 10.586 14.297 ( 0.000 0.978 8.385) 8.442 14.533 ( 0.000 -9.073 13.722) 16.450 15.755 ( 0.000 -0.790 -11.339) 11.367 15.862 ( 0.000 -3.921 -13.042) 13.618 17.122 ( 0.000 1.113 5.483) 5.595 17.214 ( 0.000 -1.489 3.893) 4.168 ======================= Grid point 190 (67/200) ======================= q-point: ( 0.12 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 1.379 7.536 6.205) 9.858 0.799 ( 14.604 6.551 1.212) 16.051 1.125 ( 15.412 -3.636 -0.620) 15.847 1.220 ( -0.736 -6.272 6.813) 9.289 1.429 ( 5.108 11.695 7.734) 14.922 1.762 ( -8.607 0.197 3.930) 9.464 1.820 ( -5.684 -0.838 3.950) 6.972 1.852 ( -5.182 1.691 4.699) 7.197 1.940 ( -1.642 -0.654 3.352) 3.789 2.011 ( 1.036 -5.034 1.094) 5.255 3.582 ( 8.660 13.810 3.592) 16.691 4.011 ( -10.638 1.269 -0.138) 10.714 4.063 ( -8.087 0.463 -2.412) 8.452 4.126 ( 23.053 -2.637 2.454) 23.333 6.534 ( -21.453 24.914 -24.055) 40.738 7.171 ( -10.075 -0.886 -7.226) 12.430 10.924 ( 13.030 7.155 12.718) 19.563 11.383 ( 11.780 -6.751 7.827) 15.672 14.120 ( -17.864 0.884 9.296) 20.158 14.345 ( -18.614 -7.206 13.021) 23.831 15.847 ( 10.626 0.486 -11.733) 15.838 16.049 ( 17.032 -5.581 -12.913) 22.091 17.202 ( -1.534 -0.797 2.768) 3.263 17.228 ( 9.197 -2.776 1.597) 9.738 ======================= Grid point 191 (68/200) ======================= q-point: ( 0.25 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 2.967 6.157 5.744) 8.928 1.031 ( 7.862 7.597 3.194) 11.390 1.206 ( -0.749 -5.436 5.789) 7.976 1.435 ( 7.755 -2.870 1.276) 8.367 1.552 ( 4.067 2.639 1.916) 5.213 1.667 ( 3.562 1.366 0.717) 3.882 1.709 ( -1.619 1.565 4.967) 5.454 1.742 ( -2.384 1.542 5.786) 6.445 1.908 ( -0.605 -1.668 3.590) 4.004 2.062 ( 5.874 -3.121 0.320) 6.659 3.699 ( -21.199 2.032 -1.472) 21.346 3.768 ( -17.778 0.763 -0.835) 17.814 3.886 ( 19.308 19.957 1.687) 27.819 4.697 ( 33.241 -4.412 -0.413) 33.535 6.037 ( -29.419 28.394 -12.993) 42.902 6.900 ( -18.591 -2.988 -5.839) 19.714 11.275 ( 23.951 6.567 12.064) 27.610 11.700 ( 21.576 -6.233 7.474) 23.670 13.674 ( -28.581 1.509 11.100) 30.698 13.899 ( -27.604 -5.264 10.897) 30.141 16.124 ( 17.600 1.671 -11.435) 21.055 16.426 ( 21.857 -7.526 -12.909) 26.476 17.145 ( -4.830 0.695 -0.222) 4.885 17.375 ( 4.628 -8.040 -4.905) 10.494 ======================= Grid point 192 (69/200) ======================= q-point: ( 0.38 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 5.882 4.505 4.408) 8.621 1.106 ( 0.539 6.121 3.685) 7.165 1.182 ( -1.516 -2.904 3.866) 5.067 1.324 ( -7.929 1.279 4.177) 9.052 1.560 ( -4.109 1.542 5.023) 6.670 1.596 ( -4.865 1.081 6.027) 7.820 1.780 ( 5.637 -5.621 1.597) 8.119 1.844 ( -0.145 -3.683 2.053) 4.219 2.162 ( 26.703 3.576 -0.289) 26.943 2.320 ( 22.205 -0.194 -2.297) 22.324 3.239 ( -27.234 2.576 -1.976) 27.426 3.332 ( -26.319 -0.212 -2.815) 26.470 4.349 ( 27.410 25.912 1.307) 37.742 5.282 ( 16.773 6.924 -5.512) 18.965 5.522 ( -13.381 17.100 -1.556) 21.769 6.486 ( -25.249 -5.050 -4.207) 26.091 11.798 ( 31.093 5.756 11.510) 33.651 12.170 ( 27.703 -5.218 7.246) 29.107 13.086 ( -33.148 2.405 11.953) 35.319 13.344 ( -30.919 -5.086 9.098) 32.629 16.466 ( 18.086 2.333 -10.002) 20.798 16.830 ( 20.382 -8.776 -12.355) 25.399 17.010 ( -9.651 1.899 -4.053) 10.638 17.366 ( -5.750 -10.005 -9.295) 14.818 ======================= Grid point 193 (70/200) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -7.327 3.601 3.086) 8.728 1.022 ( 7.327 3.601 3.086) 8.728 1.213 ( -4.145 0.478 3.954) 5.748 1.213 ( 4.145 0.478 3.954) 5.748 1.533 ( -1.316 2.054 6.397) 6.847 1.533 ( 1.316 2.054 6.397) 6.847 1.831 ( -1.128 -5.341 2.020) 5.820 1.831 ( 1.128 -5.341 2.020) 5.820 2.701 ( -29.336 3.067 -1.930) 29.559 2.701 ( 29.336 3.067 -1.930) 29.559 2.813 ( -28.110 -0.033 -3.149) 28.286 2.813 ( 28.110 -0.033 -3.149) 28.286 4.883 ( -29.047 29.128 -1.467) 41.162 4.883 ( 29.047 29.128 -1.467) 41.162 5.964 ( -29.999 -6.359 -2.455) 30.764 5.964 ( 29.999 -6.359 -2.455) 30.764 12.402 ( -29.916 5.126 10.612) 32.154 12.402 ( 29.916 5.126 10.612) 32.154 12.773 ( -26.807 -6.027 8.907) 28.883 12.773 ( 26.807 -6.027 8.907) 28.883 16.778 ( -14.766 2.497 -7.359) 16.686 16.778 ( 14.766 2.497 -7.359) 16.686 17.169 ( -14.830 -9.793 -11.518) 21.178 17.169 ( 14.830 -9.793 -11.518) 21.178 ======================= Grid point 198 (71/200) ======================= q-point: ( 0.00 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 0.000 5.934 0.230) 5.938 0.855 ( 0.000 -1.914 0.716) 2.043 0.949 ( 0.000 5.055 5.707) 7.624 1.090 ( 0.000 -7.256 6.703) 9.878 1.634 ( 0.000 11.308 5.864) 12.738 1.828 ( 0.000 -6.277 4.424) 7.679 1.879 ( 0.000 -0.240 6.670) 6.674 1.886 ( 0.000 -2.099 5.864) 6.228 1.929 ( 0.000 1.130 1.349) 1.760 1.949 ( 0.000 -0.673 1.392) 1.547 3.687 ( 0.000 6.238 4.012) 7.416 3.783 ( 0.000 -3.152 5.704) 6.516 4.152 ( 0.000 0.902 -1.611) 1.846 4.164 ( 0.000 -0.290 -1.600) 1.626 7.080 ( 0.000 11.126 -20.260) 23.113 7.230 ( 0.000 -4.167 -12.633) 13.302 10.957 ( 0.000 8.044 11.395) 13.948 11.120 ( 0.000 -7.870 9.654) 12.455 14.328 ( 0.000 2.255 9.645) 9.905 14.397 ( 0.000 -4.729 11.569) 12.498 15.755 ( 0.000 0.905 -11.817) 11.852 15.793 ( 0.000 -2.775 -12.420) 12.727 17.149 ( 0.000 1.536 4.909) 5.144 17.182 ( 0.000 -1.657 4.353) 4.658 ======================= Grid point 199 (72/200) ======================= q-point: ( 0.12 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 8.774 6.549 1.485) 11.049 0.931 ( 7.368 6.892 4.609) 11.091 1.039 ( 14.312 -4.766 -0.354) 15.089 1.083 ( -0.475 -7.141 6.676) 9.787 1.649 ( 1.444 9.421 4.477) 10.530 1.757 ( -7.517 -1.168 3.578) 8.406 1.810 ( -5.561 0.320 4.994) 7.481 1.870 ( -1.610 -3.399 4.304) 5.716 1.900 ( -1.748 -1.057 3.521) 4.071 1.924 ( -2.259 -1.634 3.964) 4.846 3.835 ( 15.864 10.841 4.262) 19.682 4.003 ( 10.830 -4.538 4.518) 12.581 4.062 ( -3.289 -1.091 -2.005) 4.003 4.064 ( -6.784 -0.471 -2.606) 7.283 6.917 ( -16.535 13.575 -17.361) 27.552 7.108 ( -12.586 -5.804 -11.298) 17.881 11.077 ( 12.594 7.845 11.139) 18.554 11.236 ( 12.173 -7.680 9.443) 17.215 14.154 ( -17.496 2.534 9.996) 20.309 14.226 ( -17.243 -4.664 11.190) 21.078 15.876 ( 12.513 2.478 -11.943) 17.474 15.947 ( 14.689 -4.385 -12.320) 19.667 17.189 ( 0.488 -0.318 2.919) 2.976 17.193 ( 3.694 -0.802 2.653) 4.618 ======================= Grid point 200 (73/200) ======================= q-point: ( 0.25 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 1.319 6.611 5.667) 8.807 1.070 ( 0.082 -5.841 5.553) 8.060 1.199 ( 9.755 6.821 1.383) 11.983 1.335 ( 11.157 -6.157 0.251) 12.745 1.602 ( -4.602 2.033 2.415) 5.580 1.641 ( -4.509 -1.918 2.108) 5.334 1.781 ( -5.607 2.192 5.723) 8.306 1.796 ( 2.346 2.619 3.861) 5.222 1.889 ( 5.632 1.527 4.096) 7.129 1.978 ( 9.149 -5.070 1.919) 10.634 3.736 ( -20.592 1.588 -1.701) 20.723 3.761 ( -20.070 -0.842 -1.775) 20.166 4.266 ( 27.141 16.558 1.824) 31.845 4.544 ( 31.239 -10.683 0.980) 33.030 6.507 ( -25.889 18.087 -11.279) 33.536 6.780 ( -21.703 -9.250 -8.264) 24.997 11.417 ( 23.140 7.261 10.605) 26.470 11.564 ( 22.346 -7.123 9.014) 25.126 13.721 ( -27.620 3.105 10.538) 29.725 13.798 ( -27.154 -4.511 10.411) 29.430 16.181 ( 18.699 4.009 -11.698) 22.418 16.285 ( 20.153 -6.207 -12.182) 24.353 17.174 ( -2.647 2.327 -0.686) 3.590 17.245 ( 0.649 -4.832 -1.963) 5.256 ======================= Grid point 201 (74/200) ======================= q-point: ( 0.38 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 4.404 5.187 4.274) 8.035 1.095 ( 2.842 -4.739 4.278) 6.988 1.232 ( -4.801 5.368 1.832) 7.431 1.315 ( -7.360 -2.408 2.214) 8.054 1.584 ( -0.258 2.274 4.399) 4.959 1.643 ( 1.796 -0.601 4.126) 4.540 1.691 ( -2.152 -0.018 5.305) 5.725 1.762 ( -2.734 -4.287 4.313) 6.667 2.236 ( 25.705 3.497 -0.961) 25.960 2.295 ( 23.856 -2.173 -1.624) 24.010 3.287 ( -26.713 2.057 -2.324) 26.893 3.319 ( -26.360 -1.124 -2.626) 26.514 4.821 ( 31.042 20.173 0.132) 37.021 5.154 ( 32.977 -12.520 -0.938) 35.286 5.982 ( -29.516 20.825 -5.772) 36.582 6.316 ( -27.430 -12.162 -5.160) 30.446 11.923 ( 30.179 6.423 10.221) 32.504 12.053 ( 29.150 -6.240 8.755) 31.070 13.150 ( -32.470 3.930 10.567) 34.372 13.241 ( -31.576 -4.937 9.585) 33.366 16.539 ( 18.627 4.891 -10.512) 21.941 16.664 ( 19.401 -7.386 -11.319) 23.645 17.072 ( -8.485 4.333 -4.731) 10.637 17.190 ( -6.914 -7.284 -6.338) 11.876 ======================= Grid point 202 (75/200) ======================= q-point: (-0.50 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -7.144 4.245 2.684) 8.733 1.103 ( 7.144 4.245 2.684) 8.733 1.182 ( -6.160 -3.136 2.921) 7.504 1.182 ( 6.160 -3.136 2.921) 7.504 1.607 ( -2.296 4.907 5.696) 7.861 1.607 ( 2.296 4.907 5.696) 7.861 1.717 ( -2.148 -5.754 4.105) 7.387 1.717 ( 2.148 -5.754 4.105) 7.387 2.759 ( -28.719 2.544 -2.355) 28.927 2.759 ( 28.719 2.544 -2.355) 28.927 2.799 ( -28.196 -1.353 -2.785) 28.366 2.799 ( 28.196 -1.353 -2.785) 28.366 5.406 ( -30.623 21.964 -2.395) 37.761 5.406 ( 30.623 21.964 -2.395) 37.761 5.765 ( -30.682 -13.592 -2.598) 33.658 5.765 ( 30.682 -13.592 -2.598) 33.658 12.517 ( -28.698 6.100 9.916) 30.969 12.517 ( 28.698 6.100 9.916) 30.969 12.645 ( -27.632 -6.447 9.319) 29.866 12.645 ( 27.632 -6.447 9.319) 29.866 16.854 ( -14.549 5.117 -8.132) 17.436 16.854 ( 14.549 5.117 -8.132) 17.436 16.987 ( -14.432 -7.898 -9.466) 18.981 16.987 ( 14.432 -7.898 -9.466) 18.981 ======================= Grid point 243 (76/200) ======================= q-point: ( 0.00 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 0.000 0.000 4.277) 4.277 0.560 ( 0.000 0.000 9.373) 9.373 1.041 ( 0.000 0.000 -0.052) 0.052 1.273 ( 0.000 0.000 17.460) 17.460 1.633 ( 0.000 0.000 9.644) 9.644 1.744 ( 0.000 0.000 -0.732) 0.732 1.877 ( 0.000 0.000 -1.434) 1.434 2.034 ( 0.000 0.000 -5.449) 5.449 2.047 ( 0.000 0.000 8.822) 8.822 2.068 ( 0.000 0.000 7.352) 7.352 3.071 ( 0.000 0.000 -7.403) 7.403 3.138 ( 0.000 0.000 -3.734) 3.734 4.058 ( 0.000 0.000 -0.673) 0.673 4.249 ( 0.000 0.000 -3.986) 3.986 4.986 ( 0.000 0.000 17.322) 17.322 7.092 ( 0.000 0.000 -5.871) 5.871 10.894 ( 0.000 0.000 18.712) 18.712 11.651 ( 0.000 0.000 8.680) 8.680 14.422 ( 0.000 0.000 6.758) 6.758 15.237 ( 0.000 0.000 -4.695) 4.695 15.607 ( 0.000 0.000 -11.462) 11.462 15.749 ( 0.000 0.000 -13.680) 13.680 17.194 ( 0.000 0.000 3.215) 3.215 17.313 ( 0.000 0.000 1.217) 1.217 ======================= Grid point 244 (77/200) ======================= q-point: ( 0.12 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 2.673 0.000 8.584) 8.991 0.621 ( 16.791 0.000 3.808) 17.218 1.191 ( 14.625 0.000 1.065) 14.664 1.324 ( 6.433 0.000 13.949) 15.360 1.627 ( -0.483 0.000 9.316) 9.328 1.685 ( -7.782 0.000 -1.729) 7.971 1.855 ( -1.324 0.000 -1.998) 2.397 1.981 ( -6.161 0.000 9.427) 11.262 2.030 ( -0.215 0.000 -4.806) 4.811 2.035 ( -3.798 0.000 6.895) 7.872 2.820 ( -5.385 0.000 -0.868) 5.454 3.581 ( 24.970 0.000 -7.512) 26.076 3.934 ( -12.988 0.000 -0.916) 13.020 4.107 ( -14.345 0.000 -3.380) 14.738 4.987 ( 1.116 0.000 16.380) 16.418 7.019 ( -7.774 0.000 -5.742) 9.665 11.017 ( 12.988 0.000 18.248) 22.398 11.753 ( 10.753 0.000 8.460) 13.682 14.278 ( -15.108 0.000 7.348) 16.800 14.938 ( -27.395 0.000 3.471) 27.614 15.647 ( 7.264 0.000 -12.588) 14.533 15.991 ( 20.489 0.000 -15.778) 25.860 17.261 ( -4.265 0.000 -0.037) 4.265 17.351 ( 11.490 0.000 -4.753) 12.434 ======================= Grid point 245 (78/200) ======================= q-point: ( 0.25 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 5.064 0.000 6.606) 8.323 0.894 ( 11.167 0.000 7.806) 13.624 1.439 ( 7.037 0.000 9.741) 12.017 1.452 ( -15.132 0.000 -2.156) 15.285 1.607 ( 22.175 0.000 0.014) 22.175 1.649 ( 6.434 0.000 7.457) 9.849 1.858 ( 1.433 0.000 -2.525) 2.904 1.859 ( -4.455 0.000 9.178) 10.202 1.939 ( -5.492 0.000 6.033) 8.158 2.020 ( -1.041 0.000 -4.187) 4.315 2.897 ( 11.946 0.000 3.610) 12.479 3.590 ( -22.982 0.000 -1.439) 23.027 3.748 ( -23.206 0.000 -3.135) 23.417 3.921 ( 8.147 0.000 -3.514) 8.873 5.105 ( 13.724 0.000 10.314) 17.168 6.803 ( -15.177 0.000 -5.325) 16.084 11.370 ( 24.152 0.000 17.007) 29.539 12.043 ( 19.678 0.000 7.931) 21.216 13.879 ( -26.665 0.000 9.654) 28.359 14.343 ( -33.768 0.000 8.830) 34.904 15.884 ( 16.777 0.000 -12.320) 20.815 16.420 ( 24.026 0.000 -17.371) 29.648 17.126 ( -9.750 0.000 -1.987) 9.950 17.516 ( 3.814 0.000 -14.184) 14.688 ======================= Grid point 246 (79/200) ======================= q-point: ( 0.38 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 7.572 0.000 4.138) 8.629 1.067 ( 8.514 0.000 10.439) 13.470 1.174 ( -13.785 0.000 -0.559) 13.796 1.402 ( -7.538 0.000 9.374) 12.029 1.707 ( -0.511 0.000 11.239) 11.250 1.806 ( -5.317 0.000 8.519) 10.043 1.897 ( 2.469 0.000 -3.109) 3.970 1.990 ( -2.079 0.000 -3.897) 4.416 2.049 ( 24.752 0.000 0.349) 24.755 2.145 ( 27.942 0.000 -3.479) 28.157 3.103 ( -28.147 0.000 -1.853) 28.208 3.203 ( 19.271 0.000 5.920) 20.160 3.259 ( -28.375 0.000 -3.585) 28.600 3.871 ( -11.320 0.000 3.699) 11.909 5.499 ( 25.958 0.000 1.510) 26.002 6.455 ( -21.697 0.000 -4.468) 22.152 11.898 ( 31.361 0.000 15.402) 34.939 12.458 ( 22.430 0.000 7.454) 23.636 13.324 ( -29.951 0.000 12.861) 32.596 13.719 ( -32.218 0.000 8.942) 33.436 16.232 ( 19.420 0.000 -10.925) 22.282 16.845 ( 13.380 0.000 -17.403) 21.952 16.912 ( -5.593 0.000 -5.475) 7.827 17.474 ( -8.015 0.000 -17.367) 19.127 ======================= Grid point 247 (80/200) ======================= q-point: (-0.50 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -10.551 0.000 1.669) 10.682 0.945 ( 10.551 0.000 1.669) 10.682 1.235 ( -9.347 0.000 10.247) 13.870 1.235 ( 9.347 0.000 10.247) 13.870 1.726 ( -2.810 0.000 9.630) 10.032 1.726 ( 2.810 0.000 9.630) 10.032 1.945 ( -2.579 0.000 -3.564) 4.399 1.945 ( 2.579 0.000 -3.564) 4.399 2.560 ( -28.301 0.000 -1.622) 28.347 2.560 ( 28.301 0.000 -1.622) 28.347 2.705 ( -29.782 0.000 -3.742) 30.016 2.705 ( 29.782 0.000 -3.742) 30.016 3.573 ( -19.014 0.000 6.264) 20.020 3.573 ( 19.014 0.000 6.264) 20.020 6.001 ( -26.291 0.000 -2.684) 26.427 6.001 ( 26.291 0.000 -2.684) 26.427 12.487 ( -27.133 0.000 12.616) 29.922 12.487 ( 27.133 0.000 12.616) 29.922 13.173 ( -22.252 0.000 9.718) 24.282 13.173 ( 22.252 0.000 9.718) 24.282 16.588 ( -17.987 0.000 -8.651) 19.959 16.588 ( 17.987 0.000 -8.651) 19.959 17.235 ( -16.825 0.000 -17.579) 24.333 17.235 ( 16.825 0.000 -17.579) 24.333 ======================= Grid point 252 (81/200) ======================= q-point: ( 0.00 0.11 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 0.000 3.097 3.320) 4.540 0.615 ( 0.000 4.594 8.187) 9.388 1.038 ( 0.000 -0.492 -0.843) 0.976 1.301 ( 0.000 3.479 17.007) 17.360 1.587 ( 0.000 -4.093 7.768) 8.781 1.773 ( 0.000 2.479 -0.204) 2.487 1.893 ( 0.000 1.256 -1.219) 1.750 2.044 ( 0.000 0.237 5.065) 5.071 2.058 ( 0.000 1.344 0.327) 1.383 2.065 ( 0.000 -0.147 7.331) 7.332 3.196 ( 0.000 5.685 -3.064) 6.458 3.349 ( 0.000 21.456 -8.756) 23.174 4.064 ( 0.000 0.599 -0.787) 0.989 4.235 ( 0.000 -1.238 -2.075) 2.416 5.177 ( 0.000 18.689 7.386) 20.096 7.103 ( 0.000 0.949 -6.178) 6.251 10.919 ( 0.000 2.456 18.381) 18.545 11.628 ( 0.000 -2.231 8.979) 9.252 14.425 ( 0.000 0.328 6.839) 6.847 15.148 ( 0.000 -8.168 -1.362) 8.281 15.587 ( 0.000 -1.739 -11.594) 11.724 15.726 ( 0.000 -2.164 -13.688) 13.858 17.194 ( 0.000 0.056 3.208) 3.209 17.308 ( 0.000 -0.475 1.300) 1.384 ======================= Grid point 253 (82/200) ======================= q-point: ( 0.12 0.11 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 2.814 4.644 7.536) 9.288 0.647 ( 16.567 2.478 3.308) 17.075 1.189 ( 14.917 -0.549 -0.779) 14.947 1.340 ( 4.952 2.570 14.514) 15.549 1.572 ( -1.829 -4.239 6.792) 8.213 1.722 ( -6.227 2.354 0.078) 6.657 1.864 ( -1.984 0.662 -1.115) 2.371 1.982 ( -6.050 0.155 9.361) 11.147 2.028 ( -2.988 0.209 4.329) 5.264 2.059 ( -0.597 1.567 -0.948) 1.926 3.007 ( -4.206 14.940 -0.687) 15.536 3.738 ( 23.407 12.942 -8.507) 28.067 3.943 ( -12.631 0.838 -1.032) 12.701 4.117 ( -11.291 1.121 -3.406) 11.847 5.131 ( -3.557 14.753 9.824) 18.078 7.029 ( -7.866 0.854 -6.019) 9.942 11.041 ( 12.900 2.376 17.929) 22.215 11.731 ( 10.829 -2.164 8.750) 14.090 14.277 ( -15.369 -0.025 7.421) 17.067 14.877 ( -25.490 -5.683 4.687) 26.533 15.633 ( 7.795 -1.224 -12.531) 14.809 15.958 ( 19.901 -3.018 -15.281) 25.272 17.257 ( -4.128 -0.363 0.012) 4.144 17.329 ( 9.830 -1.957 -3.428) 10.593 ======================= Grid point 254 (83/200) ======================= q-point: ( 0.25 0.11 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 4.794 4.280 6.154) 8.898 0.922 ( 11.047 2.778 7.275) 13.516 1.443 ( -1.278 1.273 4.894) 5.216 1.450 ( -3.863 -0.990 2.343) 4.626 1.593 ( 20.717 -1.285 0.895) 20.777 1.645 ( 4.852 -0.102 5.349) 7.222 1.837 ( -1.837 -1.586 0.615) 2.504 1.861 ( -4.695 0.160 9.237) 10.363 1.960 ( -2.620 1.705 3.818) 4.934 2.049 ( -0.399 2.106 -2.781) 3.511 3.093 ( 12.044 17.230 3.223) 21.268 3.600 ( -22.778 0.933 -1.560) 22.851 3.734 ( -21.367 -0.520 -2.651) 21.537 4.152 ( 8.572 19.910 -7.986) 23.101 5.148 ( 9.077 4.791 9.589) 14.047 6.811 ( -15.325 0.615 -5.530) 16.304 11.392 ( 23.997 2.149 16.728) 29.331 12.023 ( 19.867 -1.938 8.202) 21.581 13.875 ( -26.683 -0.264 9.643) 28.373 14.310 ( -32.859 -3.216 8.951) 34.208 15.878 ( 17.041 -0.561 -12.270) 21.006 16.380 ( 23.782 -3.772 -16.864) 29.397 17.123 ( -9.688 -0.214 -1.976) 9.890 17.473 ( 3.250 -3.936 -12.360) 13.373 ======================= Grid point 255 (84/200) ======================= q-point: ( 0.38 0.11 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 7.156 3.721 4.169) 9.079 1.080 ( 6.328 1.376 9.410) 11.423 1.209 ( -11.351 2.967 0.779) 11.758 1.403 ( -7.093 0.148 8.187) 10.834 1.697 ( -1.100 -0.698 10.579) 10.659 1.773 ( -4.464 -2.612 5.920) 7.862 1.908 ( 3.027 0.734 -0.032) 3.114 1.957 ( 5.128 -2.502 -1.693) 5.951 2.073 ( 20.671 1.690 0.447) 20.745 2.178 ( 23.352 2.775 -4.059) 23.864 3.113 ( -28.019 1.139 -1.932) 28.109 3.260 ( -28.015 0.112 -3.609) 28.247 3.403 ( 19.356 18.146 4.988) 26.997 4.096 ( -12.400 20.944 0.891) 24.356 5.501 ( 25.533 0.058 1.498) 25.577 6.460 ( -21.869 0.307 -4.602) 22.350 11.917 ( 31.204 1.855 15.179) 34.750 12.445 ( 23.250 -1.262 7.671) 24.515 13.319 ( -30.369 -0.378 12.695) 32.918 13.694 ( -32.102 -2.397 8.980) 33.420 16.229 ( 19.547 -0.244 -10.919) 22.391 16.809 ( 18.525 -3.686 -17.764) 25.930 16.904 ( -10.841 -0.521 -4.598) 11.788 17.427 ( -8.002 -4.415 -16.037) 18.458 ======================= Grid point 256 (85/200) ======================= q-point: (-0.50 0.11 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -9.694 2.738 2.233) 10.318 0.981 ( 9.694 2.738 2.233) 10.318 1.248 ( -8.428 1.511 9.378) 12.699 1.248 ( 8.428 1.511 9.378) 12.699 1.706 ( -2.231 -1.728 8.652) 9.101 1.706 ( 2.231 -1.728 8.652) 9.101 1.949 ( -1.896 0.128 -1.634) 2.506 1.949 ( 1.896 0.128 -1.634) 2.506 2.570 ( -28.156 1.066 -1.736) 28.230 2.570 ( 28.156 1.066 -1.736) 28.230 2.711 ( -29.225 0.646 -3.873) 29.487 2.711 ( 29.225 0.646 -3.873) 29.487 3.780 ( -19.690 19.263 4.659) 27.937 3.780 ( 19.690 19.263 4.659) 27.937 6.002 ( -26.449 -0.011 -2.776) 26.594 6.002 ( 26.449 -0.011 -2.776) 26.594 12.504 ( -26.839 1.608 12.485) 29.645 12.504 ( 26.839 1.608 12.485) 29.645 13.147 ( -22.299 -2.547 9.769) 24.478 13.147 ( 22.299 -2.547 9.769) 24.478 16.586 ( -18.028 -0.105 -8.669) 20.004 16.586 ( 18.028 -0.105 -8.669) 20.004 17.190 ( -16.699 -4.309 -16.769) 24.054 17.190 ( 16.699 -4.309 -16.769) 24.054 ======================= Grid point 261 (86/200) ======================= q-point: ( 0.00 0.22 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 0.000 5.194 1.539) 5.417 0.724 ( 0.000 6.000 6.008) 8.491 1.014 ( 0.000 -1.885 -1.249) 2.262 1.421 ( 0.000 7.906 14.524) 16.537 1.482 ( 0.000 -6.022 5.637) 8.249 1.828 ( 0.000 2.702 -0.072) 2.703 1.919 ( 0.000 1.142 -0.349) 1.194 2.046 ( 0.000 0.057 7.572) 7.572 2.064 ( 0.000 0.008 7.360) 7.360 2.076 ( 0.000 -0.075 1.234) 1.237 3.357 ( 0.000 9.798 -1.133) 9.863 3.720 ( 0.000 13.106 -3.552) 13.579 4.081 ( 0.000 0.996 -1.066) 1.459 4.205 ( 0.000 -1.624 0.374) 1.666 5.691 ( 0.000 29.456 -10.598) 31.304 7.119 ( 0.000 0.213 -7.247) 7.250 10.991 ( 0.000 4.513 17.462) 18.036 11.563 ( 0.000 -4.088 9.847) 10.662 14.436 ( 0.000 0.824 7.084) 7.132 14.946 ( 0.000 -10.684 4.288) 11.512 15.547 ( 0.000 -1.993 -11.962) 12.127 15.667 ( 0.000 -3.511 -13.651) 14.095 17.197 ( 0.000 0.318 3.141) 3.157 17.294 ( 0.000 -0.855 1.520) 1.744 ======================= Grid point 262 (87/200) ======================= q-point: ( 0.12 0.22 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 15.232 4.136 2.120) 15.925 0.752 ( 3.416 6.134 5.773) 9.089 1.160 ( 14.707 -2.268 -1.920) 15.004 1.441 ( 2.490 5.832 11.824) 13.417 1.472 ( -0.855 -4.422 6.315) 7.757 1.766 ( -6.968 1.902 0.334) 7.231 1.875 ( -3.487 0.393 0.823) 3.604 1.988 ( -5.630 0.418 9.083) 10.695 2.035 ( -2.443 0.286 5.005) 5.577 2.079 ( -0.165 0.080 1.034) 1.050 3.328 ( 2.523 16.043 1.203) 16.284 3.940 ( 0.179 4.293 -3.691) 5.664 3.975 ( -4.607 2.882 -1.935) 5.768 4.160 ( 5.199 2.754 -1.969) 6.204 5.578 ( -10.969 27.516 -6.137) 30.251 7.041 ( -8.199 -0.028 -6.968) 10.759 11.111 ( 12.658 4.375 17.039) 21.672 11.668 ( 11.037 -3.971 9.596) 15.154 14.280 ( -15.969 0.335 7.620) 17.697 14.729 ( -21.528 -8.323 6.941) 24.102 15.608 ( 8.954 -1.002 -12.460) 15.376 15.878 ( 18.394 -4.667 -14.364) 23.800 17.247 ( -3.575 -0.606 0.139) 3.628 17.285 ( 5.860 -2.169 -1.116) 6.347 ======================= Grid point 263 (88/200) ======================= q-point: ( 0.25 0.22 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 3.924 4.864 5.441) 8.286 1.001 ( 11.159 4.774 5.680) 13.400 1.394 ( -2.916 -4.111 1.351) 5.218 1.490 ( 3.810 1.270 2.912) 4.960 1.568 ( 13.898 0.011 3.691) 14.380 1.656 ( 4.015 1.181 2.355) 4.802 1.809 ( -3.685 -0.802 3.814) 5.364 1.870 ( -5.003 0.767 8.969) 10.299 1.989 ( -1.391 0.914 3.861) 4.205 2.083 ( 1.294 0.949 -0.519) 1.686 3.504 ( 15.304 21.742 3.023) 26.759 3.626 ( -22.394 1.599 -1.893) 22.531 3.729 ( -21.060 -0.047 -2.482) 21.206 4.551 ( 21.483 14.493 -9.005) 27.435 5.358 ( -8.579 17.789 2.861) 19.956 6.815 ( -15.832 -0.617 -6.199) 17.014 11.455 ( 23.572 3.979 15.935) 28.730 11.966 ( 20.362 -3.592 8.994) 22.548 13.872 ( -26.691 0.052 9.581) 28.359 14.221 ( -30.728 -5.277 9.149) 32.493 15.869 ( 17.635 -0.077 -12.170) 21.427 16.278 ( 22.972 -6.036 -15.633) 28.434 17.119 ( -9.388 -0.129 -1.976) 9.595 17.374 ( 1.411 -5.383 -8.665) 10.298 ======================= Grid point 264 (89/200) ======================= q-point: ( 0.38 0.22 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 6.180 3.708 4.370) 8.428 1.125 ( 1.939 2.993 7.114) 7.958 1.266 ( -6.166 1.893 2.950) 7.093 1.405 ( -6.164 -0.079 5.520) 8.275 1.685 ( -1.881 -0.825 7.811) 8.076 1.727 ( -4.269 -0.971 6.369) 7.728 1.899 ( 7.853 -3.127 1.234) 8.542 1.919 ( 2.836 0.225 2.695) 3.919 2.111 ( 20.718 2.106 0.770) 20.839 2.235 ( 19.643 2.417 -3.776) 20.148 3.146 ( -27.956 2.007 -2.336) 28.125 3.264 ( -27.498 0.199 -3.723) 27.750 3.863 ( 21.662 25.496 3.384) 33.626 4.635 ( -12.810 29.638 -4.390) 32.585 5.494 ( 22.716 -0.773 1.618) 22.787 6.454 ( -22.406 -1.302 -4.994) 22.992 11.972 ( 30.783 3.467 14.537) 34.219 12.406 ( 25.225 -2.579 8.353) 26.697 13.313 ( -31.279 -0.021 12.183) 33.567 13.626 ( -31.848 -4.138 9.099) 33.380 16.228 ( 19.825 0.349 -10.931) 22.641 16.702 ( 21.138 -6.576 -16.240) 27.455 16.899 ( -13.639 0.128 -4.835) 14.471 17.309 ( -8.341 -6.756 -13.031) 16.883 ======================= Grid point 265 (90/200) ======================= q-point: (-0.50 0.22 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -7.854 2.476 3.387) 8.904 1.034 ( 7.854 2.476 3.387) 8.904 1.290 ( -5.538 1.929 6.878) 9.039 1.290 ( 5.538 1.929 6.878) 9.039 1.673 ( -1.201 -1.000 7.841) 7.995 1.673 ( 1.201 -1.000 7.841) 7.995 1.940 ( -0.313 -1.258 1.798) 2.217 1.940 ( 0.313 -1.258 1.798) 2.217 2.604 ( -27.936 2.194 -2.131) 28.103 2.604 ( 27.936 2.194 -2.131) 28.103 2.728 ( -28.070 0.829 -4.077) 28.376 2.728 ( 28.070 0.829 -4.077) 28.376 4.281 ( -21.980 28.262 1.525) 35.835 4.281 ( 21.980 28.262 1.525) 35.835 5.987 ( -26.858 -1.900 -3.002) 27.092 5.987 ( 26.858 -1.900 -3.002) 27.092 12.552 ( -26.053 3.146 12.124) 28.908 12.552 ( 26.053 3.146 12.124) 28.908 13.073 ( -22.444 -4.554 9.926) 24.960 13.073 ( 22.444 -4.554 9.926) 24.960 16.588 ( -18.054 0.475 -8.750) 20.068 16.588 ( 18.054 0.475 -8.750) 20.068 17.072 ( -16.526 -6.995 -14.792) 23.256 17.072 ( 16.526 -6.995 -14.792) 23.256 ======================= Grid point 270 (91/200) ======================= q-point: ( 0.00 0.33 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 0.000 5.805 0.115) 5.806 0.847 ( 0.000 5.200 3.170) 6.090 0.973 ( 0.000 -1.240 -0.063) 1.241 1.348 ( 0.000 -7.099 4.348) 8.324 1.598 ( 0.000 9.004 10.940) 14.169 1.874 ( 0.000 1.637 -0.217) 1.651 1.938 ( 0.000 0.701 0.810) 1.071 2.038 ( 0.000 -1.993 3.930) 4.406 2.056 ( 0.000 -0.707 7.980) 8.012 2.064 ( 0.000 -0.053 7.540) 7.541 3.569 ( 0.000 10.514 1.397) 10.607 3.882 ( 0.000 3.530 1.579) 3.867 4.103 ( 0.000 1.065 -1.346) 1.717 4.171 ( 0.000 -1.677 0.776) 1.848 6.268 ( 0.000 25.826 -17.764) 31.346 7.094 ( 0.000 -3.169 -9.379) 9.900 11.097 ( 0.000 5.839 16.121) 17.146 11.466 ( 0.000 -5.385 11.185) 12.414 14.461 ( 0.000 1.714 7.489) 7.682 14.746 ( 0.000 -8.714 7.472) 11.479 15.514 ( 0.000 -1.181 -12.344) 12.401 15.593 ( 0.000 -3.520 -13.467) 13.920 17.208 ( 0.000 0.730 2.945) 3.034 17.274 ( 0.000 -1.114 1.841) 2.152 ======================= Grid point 271 (92/200) ======================= q-point: ( 0.12 0.33 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 14.147 5.052 0.498) 15.030 0.887 ( 3.485 7.064 4.521) 9.082 1.101 ( 13.867 -3.421 -1.798) 14.395 1.340 ( -0.571 -6.786 4.613) 8.226 1.605 ( 1.019 7.963 9.041) 12.091 1.795 ( -8.004 0.950 0.609) 8.083 1.883 ( -4.398 0.503 2.853) 5.266 1.999 ( -4.808 0.678 8.392) 9.696 2.030 ( -1.451 -1.149 4.584) 4.944 2.062 ( -0.322 -1.369 4.791) 4.994 3.643 ( 9.682 14.721 2.609) 17.811 3.982 ( -10.938 1.364 -2.190) 11.238 4.017 ( -6.485 0.870 -2.026) 6.850 4.183 ( 16.876 -1.296 2.175) 17.065 6.142 ( -12.775 26.120 -14.439) 32.465 7.009 ( -8.903 -3.635 -8.814) 13.045 11.214 ( 12.327 5.678 15.732) 20.777 11.574 ( 11.323 -5.243 10.903) 16.571 14.296 ( -16.518 1.386 7.903) 18.363 14.563 ( -18.501 -7.663 8.268) 21.665 15.600 ( 10.561 0.366 -12.480) 16.353 15.779 ( 16.545 -4.877 -13.589) 21.959 17.234 ( -2.332 -0.593 0.334) 2.430 17.248 ( 1.330 -1.350 0.408) 1.938 ======================= Grid point 272 (93/200) ======================= q-point: ( 0.25 0.33 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 2.604 5.629 4.360) 7.582 1.109 ( 11.253 5.716 3.999) 13.240 1.293 ( -0.171 -5.633 1.892) 5.945 1.449 ( 12.949 -4.018 1.025) 13.597 1.609 ( -3.225 2.358 3.269) 5.162 1.680 ( 2.597 0.574 0.784) 2.773 1.826 ( 0.246 2.943 6.740) 7.358 1.891 ( -5.271 1.298 8.380) 9.985 1.995 ( -1.129 -0.307 5.058) 5.192 2.080 ( 3.167 -1.232 1.702) 3.800 3.660 ( -21.812 1.707 -2.312) 22.000 3.723 ( -20.801 -0.194 -3.050) 21.024 3.941 ( 20.330 20.210 3.185) 28.843 4.673 ( 29.774 -0.936 -2.071) 29.860 5.827 ( -19.565 25.284 -7.357) 32.805 6.766 ( -16.821 -4.704 -7.392) 18.966 11.549 ( 22.977 5.208 14.745) 27.793 11.881 ( 21.003 -4.801 10.225) 23.848 13.883 ( -26.661 1.190 9.443) 28.309 14.107 ( -28.606 -5.658 9.221) 30.584 15.882 ( 18.348 1.520 -12.175) 22.072 16.148 ( 21.713 -6.443 -14.269) 26.768 17.122 ( -8.564 0.460 -2.096) 8.828 17.269 ( -1.430 -4.695 -5.504) 7.374 ======================= Grid point 273 (94/200) ======================= q-point: ( 0.38 0.33 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 4.815 4.264 4.126) 7.641 1.198 ( -2.020 4.104 4.973) 6.757 1.259 ( -0.815 -2.697 3.634) 4.598 1.401 ( -6.787 -0.583 3.397) 7.612 1.663 ( 0.172 -0.442 4.951) 4.973 1.747 ( -3.503 1.977 8.796) 9.672 1.834 ( 6.209 -3.051 3.667) 7.830 1.912 ( 0.094 -1.084 5.000) 5.117 2.160 ( 21.973 2.786 0.232) 22.150 2.267 ( 19.238 0.647 -2.815) 19.454 3.190 ( -27.551 2.161 -2.825) 27.780 3.265 ( -27.082 -0.132 -3.779) 27.345 4.379 ( 25.321 24.465 1.726) 35.252 5.154 ( 9.061 14.784 -6.794) 18.623 5.516 ( -1.713 7.916 0.755) 8.135 6.387 ( -23.301 -5.793 -5.560) 24.646 12.054 ( 30.213 4.587 13.545) 33.427 12.341 ( 27.283 -3.839 9.483) 29.138 13.324 ( -31.945 1.240 11.376) 33.933 13.534 ( -31.680 -4.788 9.339) 33.373 16.250 ( 20.099 1.984 -11.086) 23.039 16.558 ( 21.147 -7.273 -14.246) 26.515 16.913 ( -13.593 1.384 -5.440) 14.706 17.169 ( -9.424 -6.758 -9.994) 15.309 ======================= Grid point 274 (95/200) ======================= q-point: (-0.50 0.33 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -6.789 3.221 3.626) 8.343 1.090 ( 6.789 3.221 3.626) 8.343 1.299 ( -4.015 -1.275 4.302) 6.021 1.299 ( 4.015 -1.275 4.302) 6.021 1.682 ( -2.347 2.010 8.172) 8.736 1.682 ( 2.347 2.010 8.171) 8.736 1.897 ( -1.395 -2.905 4.696) 5.695 1.897 ( 1.395 -2.905 4.696) 5.695 2.654 ( -27.614 2.584 -2.676) 27.864 2.654 ( 27.614 2.584 -2.676) 27.864 2.740 ( -27.180 0.227 -4.046) 27.480 2.740 ( 27.180 0.227 -4.046) 27.480 4.857 ( -24.734 27.389 -1.058) 36.920 4.857 ( 24.734 27.389 -1.058) 36.920 5.907 ( -27.294 -6.536 -3.209) 28.248 5.907 ( 27.294 -6.536 -3.209) 28.248 12.630 ( -25.017 4.494 11.619) 27.947 12.630 ( 25.017 4.494 11.619) 27.947 12.968 ( -22.729 -5.698 10.195) 25.554 12.968 ( 22.729 -5.698 10.195) 25.554 16.612 ( -17.893 1.993 -8.995) 20.126 16.612 ( 17.893 1.993 -8.995) 20.126 16.921 ( -16.606 -7.501 -12.560) 22.131 16.921 ( 16.606 -7.501 -12.560) 22.131 ======================= Grid point 279 (96/200) ======================= q-point: ( 0.00 0.44 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 0.000 5.327 -0.780) 5.383 0.850 ( 0.000 -3.710 -1.065) 3.859 1.045 ( 0.000 7.072 3.576) 7.925 1.198 ( 0.000 -7.655 3.741) 8.520 1.770 ( 0.000 7.606 6.733) 10.158 1.879 ( 0.000 -2.160 0.814) 2.308 1.948 ( 0.000 0.424 2.172) 2.213 1.973 ( 0.000 -2.846 4.979) 5.735 2.056 ( 0.000 0.216 8.555) 8.558 2.061 ( 0.000 -0.212 7.977) 7.980 3.762 ( 0.000 8.085 3.496) 8.808 3.881 ( 0.000 -3.306 3.925) 5.132 4.123 ( 0.000 0.919 -1.359) 1.641 4.142 ( 0.000 -1.121 -0.590) 1.267 6.706 ( 0.000 17.295 -16.369) 23.814 6.972 ( 0.000 -9.223 -12.665) 15.667 11.222 ( 0.000 6.331 14.524) 15.843 11.349 ( 0.000 -6.131 12.817) 14.208 14.510 ( 0.000 3.278 7.980) 8.627 14.600 ( 0.000 -5.711 8.251) 10.034 15.505 ( 0.000 0.436 -12.732) 12.739 15.533 ( 0.000 -2.276 -13.132) 13.328 17.226 ( 0.000 1.074 2.620) 2.832 17.250 ( 0.000 -1.206 2.227) 2.533 ======================= Grid point 280 (97/200) ======================= q-point: ( 0.12 0.44 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 14.081 5.075 -0.824) 14.990 1.001 ( 13.000 -1.254 -0.375) 13.065 1.055 ( 2.878 4.318 2.964) 5.977 1.196 ( 0.306 -7.360 4.204) 8.481 1.744 ( -3.200 5.112 4.253) 7.380 1.800 ( -7.728 -0.791 1.152) 7.854 1.905 ( -2.549 2.098 5.263) 6.213 1.971 ( -0.071 -3.721 5.503) 6.644 2.021 ( -3.341 0.920 7.790) 8.526 2.040 ( -2.278 -0.935 7.002) 7.423 3.908 ( 14.853 10.976 2.763) 18.674 4.003 ( -9.424 0.580 -2.583) 9.789 4.023 ( -8.960 0.125 -1.209) 9.042 4.103 ( 15.519 -6.345 4.094) 17.259 6.593 ( -11.647 18.134 -14.328) 25.880 6.876 ( -10.089 -9.948 -11.544) 18.276 11.335 ( 11.978 6.173 14.169) 19.553 11.459 ( 11.642 -5.980 12.499) 18.098 14.341 ( -16.819 3.195 8.226) 18.994 14.429 ( -17.199 -5.501 8.480) 19.950 15.626 ( 12.535 2.211 -12.651) 17.946 15.688 ( 14.586 -3.912 -13.018) 19.938 17.226 ( -1.520 -0.150 0.671) 1.668 17.230 ( -1.374 -0.526 0.852) 1.700 ======================= Grid point 281 (98/200) ======================= q-point: ( 0.25 0.44 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 1.388 6.327 3.298) 7.268 1.159 ( 0.719 -5.581 2.774) 6.274 1.239 ( 12.008 5.163 2.275) 13.268 1.352 ( 13.046 -5.388 1.562) 14.201 1.647 ( -4.873 1.507 2.108) 5.519 1.673 ( -2.592 -1.011 1.315) 3.077 1.903 ( 1.308 3.209 6.445) 7.317 1.919 ( -5.159 1.106 7.514) 9.181 1.988 ( 1.304 0.411 5.796) 5.955 2.035 ( 4.543 -3.059 3.894) 6.720 3.691 ( -21.395 1.351 -2.672) 21.603 3.713 ( -21.104 -0.769 -2.900) 21.316 4.308 ( 25.404 15.662 2.294) 29.932 4.563 ( 28.819 -9.327 0.973) 30.306 6.292 ( -19.875 19.580 -9.802) 29.572 6.606 ( -18.307 -11.474 -8.905) 23.369 11.661 ( 22.323 5.701 13.294) 26.600 11.775 ( 21.667 -5.523 11.728) 25.249 13.924 ( -26.743 2.913 9.290) 28.460 14.001 ( -27.275 -4.643 9.219) 29.162 15.934 ( 19.235 3.591 -12.472) 23.204 16.026 ( 20.379 -5.435 -13.170) 24.865 17.142 ( -6.938 1.603 -2.523) 7.554 17.189 ( -4.453 -3.154 -3.538) 6.503 ======================= Grid point 282 (99/200) ======================= q-point: ( 0.38 0.44 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 3.402 5.053 3.633) 7.093 1.177 ( 1.901 -4.898 3.468) 6.295 1.285 ( -5.055 4.325 3.379) 7.462 1.364 ( -6.661 -3.110 2.712) 7.836 1.684 ( 3.747 2.332 5.424) 6.993 1.742 ( 6.125 -2.880 5.551) 8.754 1.824 ( -4.261 2.324 7.711) 9.111 1.876 ( -2.743 -2.357 6.903) 7.793 2.218 ( 21.690 2.673 -0.723) 21.866 2.260 ( 20.324 -1.326 -1.747) 20.442 3.230 ( -27.142 1.681 -3.290) 27.392 3.256 ( -26.948 -0.866 -3.634) 27.205 4.824 ( 28.708 18.933 0.230) 34.390 5.129 ( 30.543 -10.666 -1.492) 32.386 5.869 ( -24.703 19.748 -5.270) 32.062 6.203 ( -24.388 -12.748 -5.990) 28.164 12.153 ( 29.567 5.032 12.291) 32.413 12.253 ( 28.705 -4.747 10.879) 31.062 13.366 ( -32.005 2.912 10.495) 33.807 13.440 ( -31.770 -4.282 9.786) 33.518 16.312 ( 20.371 4.195 -11.589) 23.810 16.419 ( 20.736 -6.224 -12.627) 25.063 16.959 ( -12.565 3.237 -6.306) 14.427 17.046 ( -11.015 -5.270 -7.739) 14.456 ======================= Grid point 283 (100/200) ======================= q-point: (-0.50 0.44 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -6.091 4.031 3.280) 8.007 1.164 ( 6.091 4.031 3.280) 8.007 1.245 ( -5.128 -3.674 3.219) 7.082 1.245 ( 5.128 -3.674 3.219) 7.082 1.745 ( -3.135 3.866 7.920) 9.354 1.745 ( 3.135 3.866 7.920) 9.354 1.826 ( -2.634 -3.920 6.718) 8.212 1.826 ( 2.634 -3.920 6.718) 8.212 2.702 ( -27.193 2.054 -3.233) 27.462 2.702 ( 27.193 2.054 -3.233) 27.462 2.733 ( -26.936 -0.926 -3.726) 27.208 2.733 ( 26.936 -0.926 -3.726) 27.208 5.355 ( -26.618 21.224 -2.550) 34.139 5.355 ( 26.618 21.224 -2.550) 34.139 5.707 ( -27.367 -13.473 -3.158) 30.667 5.707 ( 27.367 -13.473 -3.158) 30.667 12.732 ( -24.011 5.489 11.075) 27.006 12.732 ( 24.011 5.489 11.075) 27.006 12.849 ( -23.232 -5.955 10.584) 26.214 12.849 ( 23.232 -5.955 10.584) 26.214 16.673 ( -17.491 4.153 -9.593) 20.377 16.673 ( 17.491 4.153 -9.593) 20.377 16.780 ( -16.985 -6.274 -10.751) 21.058 16.780 ( 16.985 -6.274 -10.752) 21.058 ======================= Grid point 324 (101/200) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 0.000 0.000 2.860) 2.860 0.749 ( 0.000 0.000 9.501) 9.501 1.006 ( 0.000 0.000 -2.992) 2.992 1.604 ( 0.000 0.000 14.872) 14.872 1.723 ( 0.000 0.000 -1.596) 1.596 1.818 ( 0.000 0.000 8.522) 8.522 1.849 ( 0.000 0.000 -1.359) 1.359 1.916 ( 0.000 0.000 -5.933) 5.933 2.206 ( 0.000 0.000 6.297) 6.297 2.208 ( 0.000 0.000 7.056) 7.056 2.942 ( 0.000 0.000 -5.356) 5.356 3.055 ( 0.000 0.000 -4.373) 4.373 4.041 ( 0.000 0.000 -0.984) 0.984 4.170 ( 0.000 0.000 -3.803) 3.803 5.335 ( 0.000 0.000 17.341) 17.341 6.954 ( 0.000 0.000 -7.919) 7.919 11.273 ( 0.000 0.000 18.615) 18.615 11.840 ( 0.000 0.000 9.710) 9.710 14.541 ( 0.000 0.000 5.142) 5.142 15.139 ( 0.000 0.000 -4.876) 4.876 15.381 ( 0.000 0.000 -10.937) 10.937 15.487 ( 0.000 0.000 -12.265) 12.265 17.229 ( 0.000 0.000 0.497) 0.497 17.313 ( 0.000 0.000 -1.069) 1.069 ======================= Grid point 325 (102/200) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 17.578 0.000 2.391) 17.740 0.760 ( 1.199 0.000 8.799) 8.880 1.156 ( 14.990 0.000 -3.214) 15.331 1.621 ( 2.077 0.000 13.930) 14.084 1.639 ( -9.541 0.000 -3.005) 10.003 1.808 ( -0.890 0.000 8.476) 8.523 1.813 ( -1.758 0.000 -2.085) 2.727 1.933 ( 0.802 0.000 -4.634) 4.702 2.156 ( -5.226 0.000 7.654) 9.268 2.171 ( -3.649 0.000 6.570) 7.516 2.816 ( 0.652 0.000 0.477) 0.807 3.431 ( 24.440 0.000 -7.479) 25.559 3.913 ( -13.359 0.000 -1.114) 13.405 4.036 ( -13.790 0.000 -3.568) 14.244 5.318 ( -1.270 0.000 16.498) 16.547 6.884 ( -7.439 0.000 -7.740) 10.736 11.386 ( 11.933 0.000 18.082) 21.665 11.937 ( 10.205 0.000 9.405) 13.878 14.408 ( -13.866 0.000 5.581) 14.947 14.959 ( -19.573 0.000 -0.890) 19.593 15.402 ( 7.237 0.000 -11.406) 13.508 15.696 ( 17.748 0.000 -13.503) 22.301 17.236 ( -4.054 0.000 -2.111) 4.570 17.284 ( 0.580 0.000 -2.709) 2.771 ======================= Grid point 326 (103/200) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 2.708 0.000 7.030) 7.533 1.018 ( 16.404 0.000 4.734) 17.074 1.404 ( -13.752 0.000 -2.600) 13.995 1.511 ( 19.564 0.000 -2.829) 19.767 1.694 ( 6.136 0.000 9.569) 11.367 1.806 ( 0.714 0.000 -2.606) 2.702 1.813 ( 4.174 0.000 8.083) 9.097 1.932 ( -0.803 0.000 -4.439) 4.511 2.038 ( -6.192 0.000 8.145) 10.231 2.082 ( -5.467 0.000 7.746) 9.481 2.983 ( 15.500 0.000 5.008) 16.289 3.561 ( -23.448 0.000 -1.395) 23.490 3.680 ( -23.359 0.000 -3.429) 23.609 3.829 ( 15.254 0.000 -5.522) 16.223 5.333 ( 4.683 0.000 12.230) 13.096 6.678 ( -14.396 0.000 -7.138) 16.069 11.711 ( 22.352 0.000 16.603) 27.844 12.213 ( 18.827 0.000 8.605) 20.700 14.048 ( -23.758 0.000 7.302) 24.854 14.470 ( -30.456 0.000 3.889) 30.703 15.649 ( 17.615 0.000 -10.655) 20.587 16.082 ( 22.323 0.000 -15.831) 27.367 17.073 ( -11.886 0.000 -3.052) 12.271 17.290 ( -2.302 0.000 -9.016) 9.305 ======================= Grid point 327 (104/200) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 4.882 0.000 4.718) 6.789 1.164 ( -11.352 0.000 -0.402) 11.359 1.266 ( 10.424 0.000 9.123) 13.852 1.583 ( -5.937 0.000 8.235) 10.152 1.831 ( 1.835 0.000 -3.320) 3.794 1.907 ( -1.778 0.000 -4.268) 4.624 1.923 ( -0.950 0.000 9.586) 9.633 1.982 ( -4.474 0.000 8.396) 9.513 2.050 ( 24.698 0.000 -0.424) 24.702 2.102 ( 22.075 0.000 0.190) 22.076 3.068 ( -28.218 0.000 -1.581) 28.263 3.187 ( -28.640 0.000 -3.548) 28.859 3.334 ( 20.459 0.000 7.001) 21.624 3.928 ( -4.884 0.000 1.670) 5.161 5.546 ( 17.843 0.000 3.351) 18.155 6.352 ( -20.087 0.000 -5.832) 20.917 12.201 ( 29.018 0.000 14.419) 32.403 12.613 ( 21.962 0.000 7.601) 23.240 13.554 ( -26.980 0.000 10.109) 28.811 13.877 ( -31.421 0.000 6.617) 32.110 16.019 ( 20.920 0.000 -9.906) 23.147 16.485 ( 17.888 0.000 -17.306) 24.890 16.818 ( -13.127 0.000 -4.356) 13.831 17.173 ( -10.239 0.000 -12.794) 16.387 ======================= Grid point 328 (105/200) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -7.860 0.000 2.168) 8.153 0.984 ( 7.860 0.000 2.168) 8.153 1.439 ( -8.565 0.000 9.967) 13.142 1.439 ( 8.565 0.000 9.967) 13.142 1.870 ( -2.120 0.000 -3.890) 4.430 1.870 ( 2.120 0.000 -3.890) 4.430 1.921 ( -1.627 0.000 9.327) 9.468 1.921 ( 1.627 0.000 9.327) 9.468 2.527 ( -24.223 0.000 -1.588) 24.275 2.527 ( 24.223 0.000 -1.588) 24.275 2.636 ( -26.589 0.000 -2.913) 26.748 2.636 ( 26.589 0.000 -2.913) 26.748 3.701 ( -17.398 0.000 6.335) 18.515 3.701 ( 17.398 0.000 6.335) 18.515 5.943 ( -22.711 0.000 -2.981) 22.906 5.943 ( 22.711 0.000 -2.981) 22.906 12.724 ( -20.790 0.000 10.681) 23.373 12.724 ( 20.790 0.000 10.681) 23.373 13.363 ( -17.887 0.000 9.010) 20.029 13.363 ( 17.887 0.000 9.010) 20.029 16.403 ( -18.987 0.000 -9.523) 21.241 16.403 ( 18.987 0.000 -9.523) 21.241 16.918 ( -16.017 0.000 -13.572) 20.994 16.918 ( 16.017 0.000 -13.572) 20.994 ======================= Grid point 333 (106/200) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 0.000 1.593 2.070) 2.612 0.781 ( 0.000 2.545 8.130) 8.519 1.000 ( 0.000 -0.645 -2.713) 2.789 1.614 ( 0.000 1.671 13.601) 13.703 1.676 ( 0.000 -5.488 -0.002) 5.488 1.790 ( 0.000 0.983 1.998) 2.226 1.874 ( 0.000 2.115 -0.470) 2.166 2.006 ( 0.000 5.474 -0.403) 5.489 2.203 ( 0.000 -0.124 6.291) 6.292 2.210 ( 0.000 0.153 7.074) 7.076 3.130 ( 0.000 7.268 -3.392) 8.021 3.197 ( 0.000 21.552 -6.342) 22.466 4.045 ( 0.000 0.408 -1.080) 1.154 4.171 ( 0.000 0.100 -3.708) 3.709 5.407 ( 0.000 7.366 13.951) 15.776 6.959 ( 0.000 0.306 -8.248) 8.254 11.292 ( 0.000 1.851 18.325) 18.418 11.823 ( 0.000 -1.664 9.993) 10.131 14.545 ( 0.000 0.386 5.106) 5.121 15.095 ( 0.000 -4.241 -3.471) 5.480 15.359 ( 0.000 -1.948 -10.961) 11.133 15.464 ( 0.000 -2.179 -12.272) 12.464 17.230 ( 0.000 0.056 0.508) 0.511 17.310 ( 0.000 -0.318 -0.990) 1.040 ======================= Grid point 334 (107/200) ======================= q-point: ( 0.12 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 17.571 1.514 1.814) 17.729 0.799 ( 1.756 3.116 7.995) 8.759 1.143 ( 14.423 -1.254 -3.341) 14.858 1.605 ( -3.295 -0.716 5.596) 6.534 1.637 ( -2.253 -1.145 4.800) 5.424 1.769 ( -2.131 -1.152 3.591) 4.332 1.848 ( -1.375 2.668 0.106) 3.003 2.006 ( -0.173 4.878 -0.521) 4.909 2.157 ( -5.154 0.146 7.643) 9.220 2.167 ( -3.656 -0.124 6.311) 7.294 3.002 ( 0.988 15.724 0.366) 15.759 3.575 ( 23.943 13.366 -7.766) 28.500 3.919 ( -13.170 0.574 -1.259) 13.243 4.041 ( -13.251 0.621 -3.858) 13.816 5.378 ( -2.537 6.207 13.905) 15.438 6.888 ( -7.469 0.277 -8.037) 10.976 11.404 ( 11.873 1.795 17.804) 21.475 11.921 ( 10.266 -1.610 9.683) 14.204 14.408 ( -14.150 -0.006 5.521) 15.189 14.917 ( -19.083 -3.940 -0.183) 19.487 15.390 ( 7.847 -1.035 -11.246) 13.752 15.670 ( 17.481 -2.431 -13.287) 22.091 17.234 ( -3.929 -0.243 -2.028) 4.428 17.276 ( -0.211 -0.733 -2.387) 2.506 ======================= Grid point 335 (108/200) ======================= q-point: ( 0.25 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 2.944 3.595 6.598) 8.070 1.037 ( 16.357 1.783 4.291) 17.004 1.409 ( -5.866 -0.379 -2.862) 6.538 1.502 ( 11.018 -0.095 -1.586) 11.132 1.677 ( 6.740 -0.752 6.207) 9.193 1.751 ( 1.880 -3.754 3.501) 5.467 1.855 ( 2.516 2.808 2.519) 4.535 1.992 ( -1.392 3.839 -0.271) 4.093 2.046 ( -5.295 0.902 7.728) 9.411 2.083 ( -4.853 0.432 6.797) 8.363 3.168 ( 15.093 16.538 4.340) 22.807 3.567 ( -23.262 0.641 -1.566) 23.323 3.675 ( -22.386 -0.233 -3.150) 22.608 3.999 ( 15.411 15.482 -7.474) 23.088 5.360 ( 2.677 2.876 11.450) 12.105 6.681 ( -14.459 0.189 -7.361) 16.226 11.728 ( 22.248 1.640 16.361) 27.665 12.199 ( 18.992 -1.420 8.865) 21.007 14.044 ( -23.879 -0.347 7.219) 24.949 14.440 ( -29.910 -2.880 4.097) 30.326 15.644 ( 17.824 -0.394 -10.538) 20.710 16.053 ( 22.179 -2.850 -15.387) 27.144 17.071 ( -11.916 -0.204 -3.049) 12.302 17.269 ( -2.852 -1.924 -8.382) 9.060 ======================= Grid point 336 (109/200) ======================= q-point: ( 0.38 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 4.930 3.796 4.712) 7.805 1.191 ( -8.172 1.942 1.125) 8.475 1.292 ( 6.944 2.596 7.631) 10.639 1.547 ( -4.596 -2.935 5.475) 7.728 1.805 ( 2.068 -2.324 -1.116) 3.305 1.875 ( -2.169 -0.587 4.371) 4.915 1.971 ( 2.098 1.294 5.787) 6.290 2.000 ( -3.027 1.411 7.395) 8.114 2.069 ( 21.101 2.415 -2.352) 21.369 2.115 ( 20.536 1.407 -0.397) 20.588 3.075 ( -28.173 0.770 -1.783) 28.240 3.186 ( -28.446 -0.014 -3.628) 28.676 3.513 ( 20.093 16.545 5.984) 26.707 4.106 ( -4.770 16.847 -0.150) 17.510 5.548 ( 17.302 0.018 3.297) 17.613 6.354 ( -20.197 0.032 -5.980) 21.064 12.216 ( 28.937 1.456 14.233) 32.281 12.605 ( 22.632 -0.833 7.817) 23.958 13.546 ( -27.411 -0.664 9.967) 29.175 13.854 ( -31.312 -2.276 6.692) 32.100 16.017 ( 21.025 -0.144 -9.810) 23.202 16.457 ( 18.749 -2.647 -16.741) 25.274 16.812 ( -14.009 -0.567 -4.419) 14.700 17.144 ( -10.549 -2.704 -12.189) 16.346 ======================= Grid point 337 (110/200) ======================= q-point: (-0.50 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -7.559 3.632 2.538) 8.762 1.029 ( 7.559 3.632 2.538) 8.762 1.431 ( -7.056 -0.628 8.448) 11.024 1.431 ( 7.056 -0.628 8.448) 11.024 1.833 ( -1.535 -1.952 2.202) 3.319 1.833 ( 1.535 -1.952 2.202) 3.319 1.969 ( -0.308 2.994 5.237) 6.040 1.969 ( 0.308 2.994 5.237) 6.040 2.534 ( -23.698 0.719 -1.811) 23.778 2.534 ( 23.698 0.719 -1.811) 23.778 2.638 ( -25.947 0.284 -3.183) 26.143 2.638 ( 25.947 0.284 -3.183) 26.143 3.878 ( -17.454 16.627 4.989) 24.616 3.878 ( 17.454 16.627 4.989) 24.616 5.943 ( -22.837 -0.202 -3.090) 23.046 5.943 ( 22.837 -0.202 -3.090) 23.046 12.738 ( -20.553 1.401 10.595) 23.166 12.738 ( 20.553 1.401 10.595) 23.166 13.338 ( -17.882 -2.442 9.059) 20.194 13.338 ( 17.882 -2.442 9.059) 20.194 16.402 ( -18.967 -0.030 -9.416) 21.175 16.402 ( 18.967 -0.030 -9.416) 21.175 16.886 ( -16.085 -3.102 -13.100) 20.975 16.886 ( 16.085 -3.102 -13.100) 20.975 ======================= Grid point 342 (111/200) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 0.000 3.560 0.453) 3.588 0.837 ( 0.000 2.807 4.603) 5.391 0.981 ( 0.000 -1.052 -1.449) 1.791 1.543 ( 0.000 -7.159 0.194) 7.161 1.681 ( 0.000 4.591 10.413) 11.380 1.831 ( 0.000 2.238 0.224) 2.249 1.924 ( 0.000 2.766 1.696) 3.244 2.094 ( 0.000 2.887 2.502) 3.820 2.204 ( 0.000 0.182 6.414) 6.417 2.214 ( 0.000 0.264 7.127) 7.132 3.336 ( 0.000 12.430 -0.844) 12.459 3.640 ( 0.000 18.811 -4.014) 19.234 4.057 ( 0.000 0.722 -1.316) 1.501 4.174 ( 0.000 0.161 -3.130) 3.134 5.645 ( 0.000 16.094 4.038) 16.593 6.954 ( 0.000 -1.160 -9.196) 9.269 11.346 ( 0.000 3.428 17.512) 17.844 11.775 ( 0.000 -3.024 10.801) 11.216 14.558 ( 0.000 0.949 5.016) 5.105 14.980 ( 0.000 -6.715 -0.370) 6.725 15.313 ( 0.000 -2.342 -11.164) 11.407 15.405 ( 0.000 -3.452 -12.255) 12.732 17.232 ( 0.000 0.244 0.499) 0.555 17.301 ( 0.000 -0.585 -0.777) 0.972 ======================= Grid point 343 (112/200) ======================= q-point: ( 0.12 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 17.580 3.011 0.736) 17.852 0.870 ( 2.315 3.940 5.939) 7.494 1.107 ( 13.439 -2.222 -3.252) 14.004 1.527 ( -1.622 -5.984 0.311) 6.207 1.670 ( -0.931 3.661 8.428) 9.236 1.777 ( -5.680 1.270 0.644) 5.856 1.907 ( -0.971 3.029 3.373) 4.636 2.086 ( -0.839 2.714 2.477) 3.769 2.161 ( -4.675 0.252 7.687) 9.001 2.172 ( -3.477 0.538 5.894) 6.864 3.353 ( 5.581 17.700 1.500) 18.619 3.860 ( 11.177 10.059 -4.103) 15.586 3.939 ( -10.631 1.739 -1.752) 10.914 4.082 ( -4.355 4.688 -5.089) 8.176 5.587 ( -5.759 14.633 5.428) 16.636 6.883 ( -7.577 -1.236 -8.881) 11.739 11.457 ( 11.701 3.326 17.025) 20.924 11.874 ( 10.433 -2.931 10.473) 15.071 14.410 ( -14.833 0.363 5.351) 15.773 14.809 ( -17.913 -6.365 1.454) 19.066 15.369 ( 9.273 -0.885 -10.998) 14.412 15.604 ( 16.789 -3.968 -12.774) 21.466 17.227 ( -3.675 -0.359 -1.782) 4.100 17.258 ( -2.082 -0.979 -1.753) 2.893 ======================= Grid point 344 (113/200) ======================= q-point: ( 0.25 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 3.034 3.761 5.715) 7.484 1.089 ( 16.431 3.321 3.120) 17.051 1.367 ( 4.951 -3.383 -2.998) 6.705 1.513 ( 3.128 0.074 0.019) 3.129 1.668 ( 3.509 -0.865 4.169) 5.518 1.695 ( 1.420 -0.633 1.287) 2.018 1.909 ( 1.477 2.771 6.327) 7.063 2.038 ( -4.846 0.962 6.314) 8.018 2.082 ( -2.059 1.953 5.343) 6.050 2.108 ( -2.514 1.900 4.020) 5.108 3.563 ( 13.217 19.336 2.839) 23.593 3.586 ( -22.648 1.187 -1.935) 22.761 3.679 ( -19.104 2.026 -2.309) 19.349 4.369 ( 19.928 17.987 -8.853) 28.267 5.470 ( -4.556 8.859 7.609) 12.535 6.673 ( -14.660 -1.441 -7.960) 16.744 11.776 ( 21.955 3.043 15.677) 27.148 12.158 ( 19.422 -2.613 9.609) 21.826 14.038 ( -24.178 -0.123 6.978) 25.165 14.359 ( -28.537 -4.859 4.607) 29.311 15.639 ( 18.314 0.055 -10.344) 21.033 15.974 ( 21.752 -4.686 -14.281) 26.440 17.067 ( -11.881 -0.171 -3.068) 12.272 17.218 ( -4.389 -2.914 -6.917) 8.695 ======================= Grid point 345 (114/200) ======================= q-point: ( 0.38 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 4.924 3.598 4.699) 7.699 1.231 ( -4.486 2.145 3.187) 5.907 1.347 ( 2.727 1.563 4.761) 5.705 1.488 ( -3.892 -2.343 2.693) 5.281 1.759 ( 3.672 -1.717 1.240) 4.239 1.887 ( -4.025 1.697 7.448) 8.634 1.962 ( 11.299 -1.668 5.567) 12.706 2.026 ( -0.130 1.006 6.939) 7.013 2.130 ( 14.058 2.700 0.670) 14.331 2.161 ( 15.882 3.008 -2.658) 16.381 3.098 ( -28.093 1.443 -2.360) 28.229 3.186 ( -28.144 0.009 -3.868) 28.409 3.938 ( 20.908 23.709 4.109) 31.877 4.552 ( -3.271 25.145 -4.111) 25.688 5.542 ( 14.297 -0.635 3.227) 14.671 6.340 ( -20.512 -1.753 -6.343) 21.542 12.259 ( 28.729 2.717 13.704) 31.946 12.579 ( 24.313 -1.710 8.464) 25.801 13.532 ( -28.481 -0.594 9.543) 30.043 13.790 ( -31.036 -3.917 6.896) 32.033 16.018 ( 21.259 0.401 -9.636) 23.345 16.382 ( 20.361 -4.605 -15.175) 25.808 16.801 ( -15.596 -0.377 -4.739) 16.305 17.070 ( -11.484 -4.378 -10.703) 16.297 ======================= Grid point 346 (115/200) ======================= q-point: (-0.50 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -6.913 3.299 3.433) 8.394 1.102 ( 6.913 3.299 3.433) 8.394 1.415 ( -3.777 -1.236 5.092) 6.459 1.415 ( 3.777 -1.236 5.092) 6.459 1.815 ( -3.058 0.347 6.101) 6.833 1.815 ( 3.058 0.347 6.101) 6.833 2.016 ( -0.458 1.362 5.778) 5.954 2.016 ( 0.458 1.362 5.778) 5.954 2.558 ( -22.532 1.579 -2.456) 22.720 2.558 ( 22.532 1.579 -2.456) 22.720 2.647 ( -24.242 0.514 -3.742) 24.534 2.647 ( 24.242 0.514 -3.742) 24.534 4.319 ( -18.383 25.233 2.125) 31.292 4.319 ( 18.383 25.233 2.125) 31.292 5.923 ( -23.125 -2.146 -3.331) 23.462 5.923 ( 23.125 -2.146 -3.331) 23.462 12.781 ( -19.935 2.792 10.370) 22.643 12.781 ( 19.935 2.792 10.370) 22.643 13.268 ( -17.872 -4.360 9.187) 20.563 13.268 ( 17.872 -4.360 9.187) 20.563 16.406 ( -18.837 0.530 -9.163) 20.954 16.406 ( 18.837 0.530 -9.163) 20.954 16.799 ( -16.310 -5.202 -11.930) 20.866 16.799 ( 16.310 -5.202 -11.930) 20.866 ======================= Grid point 351 (116/200) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 0.000 4.631 -1.006) 4.739 0.866 ( 0.000 -0.918 -1.549) 1.801 0.991 ( 0.000 3.192 2.323) 3.948 1.393 ( 0.000 -7.548 0.173) 7.550 1.780 ( 0.000 4.623 5.846) 7.453 1.868 ( 0.000 1.326 -0.353) 1.373 1.983 ( 0.000 2.960 4.801) 5.640 2.121 ( 0.000 -0.022 4.883) 4.883 2.209 ( 0.000 0.278 6.671) 6.677 2.218 ( 0.000 0.079 7.262) 7.263 3.602 ( 0.000 13.016 2.040) 13.175 3.898 ( 0.000 6.882 0.543) 6.904 4.074 ( 0.000 0.912 -1.551) 1.799 4.170 ( 0.000 -0.846 -1.285) 1.539 6.031 ( 0.000 20.701 -6.503) 21.698 6.894 ( 0.000 -5.230 -10.562) 11.786 11.427 ( 0.000 4.447 16.324) 16.919 11.704 ( 0.000 -3.969 12.008) 12.647 14.586 ( 0.000 1.869 4.886) 5.231 14.841 ( 0.000 -6.624 2.368) 7.035 15.272 ( 0.000 -1.514 -11.442) 11.542 15.334 ( 0.000 -3.326 -12.151) 12.598 17.240 ( 0.000 0.527 0.397) 0.659 17.287 ( 0.000 -0.772 -0.475) 0.906 ======================= Grid point 352 (117/200) ======================= q-point: ( 0.12 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 16.328 3.736 -0.301) 16.753 0.961 ( 4.861 4.638 2.713) 7.246 1.057 ( 11.067 -2.186 -2.112) 11.477 1.393 ( 0.325 -7.044 0.602) 7.077 1.748 ( -3.078 3.517 4.407) 6.424 1.803 ( -6.618 1.084 0.244) 6.711 1.971 ( -0.723 3.311 6.510) 7.340 2.114 ( -0.935 0.138 4.795) 4.888 2.168 ( -4.088 0.391 7.450) 8.507 2.182 ( -3.060 0.266 6.188) 6.909 3.695 ( 10.362 15.620 2.844) 18.959 3.938 ( -10.217 1.261 -1.950) 10.478 3.979 ( -8.142 1.171 -1.851) 8.432 4.196 ( 13.538 3.295 -0.887) 13.961 5.952 ( -8.119 20.232 -4.908) 22.346 6.820 ( -7.800 -5.374 -10.049) 13.809 11.535 ( 11.453 4.322 15.877) 20.048 11.805 ( 10.663 -3.858 11.656) 16.261 14.427 ( -15.539 1.398 5.089) 16.410 14.675 ( -16.867 -6.547 3.050) 18.348 15.362 ( 11.056 0.300 -10.938) 15.555 15.518 ( 15.808 -4.255 -12.159) 20.392 17.221 ( -3.698 -0.229 -1.439) 3.975 17.239 ( -3.791 -0.818 -1.292) 4.087 ======================= Grid point 353 (118/200) ======================= q-point: ( 0.25 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 2.989 3.985 4.128) 6.470 1.170 ( 15.872 4.637 1.955) 16.651 1.285 ( 5.327 -4.584 -1.823) 7.260 1.473 ( 9.989 -3.758 0.604) 10.690 1.665 ( -4.201 0.796 2.040) 4.737 1.701 ( 0.260 0.374 1.331) 1.406 1.974 ( 1.397 3.606 7.852) 8.752 2.054 ( -4.956 0.789 7.330) 8.883 2.108 ( -1.848 0.700 6.112) 6.424 2.138 ( -0.532 0.681 4.058) 4.149 3.610 ( -22.528 1.242 -2.547) 22.705 3.658 ( -21.482 -0.141 -3.258) 21.728 4.006 ( 19.449 19.620 3.444) 27.840 4.613 ( 25.869 4.854 -3.853) 26.601 5.745 ( -13.256 17.688 -1.151) 22.134 6.605 ( -15.016 -5.718 -8.676) 18.261 11.848 ( 21.528 3.969 14.651) 26.341 12.095 ( 19.973 -3.494 10.728) 22.939 14.045 ( -24.551 0.947 6.618) 25.445 14.253 ( -26.977 -5.338 5.194) 27.986 15.652 ( 18.916 1.368 -10.372) 21.616 15.872 ( 21.106 -5.149 -12.944) 25.289 17.067 ( -11.487 0.242 -3.187) 11.923 17.159 ( -6.536 -2.804 -5.387) 8.922 ======================= Grid point 354 (119/200) ======================= q-point: ( 0.38 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 4.510 3.531 4.132) 7.063 1.278 ( -4.305 1.940 2.634) 5.407 1.327 ( 2.237 -2.402 3.205) 4.588 1.460 ( -5.479 -1.141 2.547) 6.149 1.750 ( 6.926 0.914 3.569) 7.845 1.916 ( 13.029 -2.780 5.310) 14.341 1.935 ( -4.579 2.698 8.216) 9.785 2.039 ( -0.254 0.133 7.140) 7.146 2.176 ( 14.558 2.057 1.486) 14.778 2.215 ( 13.181 1.945 -1.951) 13.466 3.130 ( -27.826 1.585 -3.049) 28.037 3.185 ( -27.797 -0.160 -4.063) 28.093 4.419 ( 23.345 22.832 2.332) 32.737 5.019 ( 9.638 16.969 -6.617) 20.607 5.547 ( -0.676 3.490 2.346) 4.259 6.265 ( -20.980 -6.149 -6.653) 22.852 12.323 ( 28.465 3.564 12.895) 31.452 12.535 ( 26.180 -2.631 9.485) 27.969 13.529 ( -29.604 0.494 8.899) 30.916 13.703 ( -30.739 -4.449 7.201) 31.883 16.038 ( 21.500 1.738 -9.663) 23.635 16.279 ( 21.427 -5.330 -13.161) 25.705 16.802 ( -16.366 0.652 -5.373) 17.237 16.977 ( -12.943 -4.629 -8.974) 16.416 ======================= Grid point 355 (120/200) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -6.430 3.081 3.789) 8.075 1.165 ( 6.430 3.081 3.789) 8.075 1.373 ( -3.503 -2.834 2.926) 5.373 1.373 ( 3.503 -2.834 2.926) 5.373 1.848 ( -4.314 2.763 8.244) 9.706 1.848 ( 4.314 2.763 8.244) 9.706 2.019 ( -1.623 -1.023 7.192) 7.443 2.019 ( 1.623 -1.023 7.192) 7.443 2.595 ( -21.601 1.966 -3.193) 21.924 2.595 ( 21.601 1.966 -3.193) 21.924 2.656 ( -22.461 0.265 -4.108) 22.835 2.656 ( 22.461 0.265 -4.108) 22.836 4.842 ( -20.239 25.225 -0.544) 32.345 4.842 ( 20.239 25.225 -0.544) 32.345 5.839 ( -23.312 -6.598 -3.480) 24.476 5.839 ( 23.312 -6.598 -3.480) 24.476 12.851 ( -19.164 4.081 10.082) 22.035 12.851 ( 19.164 4.081 10.082) 22.035 13.167 ( -17.901 -5.430 9.361) 20.918 13.167 ( 17.901 -5.430 9.361) 20.918 16.429 ( -18.493 1.843 -8.950) 20.627 16.429 ( 18.493 1.843 -8.950) 20.627 16.685 ( -16.719 -5.830 -10.597) 20.635 16.685 ( 16.719 -5.830 -10.597) 20.635 ======================= Grid point 360 (121/200) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 0.000 4.604 -2.048) 5.039 0.813 ( 0.000 -3.742 -2.658) 4.590 1.097 ( 0.000 6.510 1.788) 6.751 1.240 ( 0.000 -7.454 0.648) 7.482 1.854 ( 0.000 2.488 1.491) 2.901 1.880 ( 0.000 -0.245 -0.298) 0.385 2.044 ( 0.000 3.026 7.277) 7.881 2.098 ( 0.000 -2.111 6.895) 7.211 2.214 ( 0.000 0.220 7.001) 7.004 2.218 ( 0.000 -0.116 7.266) 7.267 3.834 ( 0.000 9.188 3.846) 9.961 3.947 ( 0.000 -1.656 2.909) 3.348 4.095 ( 0.000 1.332 -1.456) 1.973 4.134 ( 0.000 -2.389 -0.408) 2.424 6.430 ( 0.000 17.762 -11.279) 21.041 6.728 ( 0.000 -11.389 -11.735) 16.353 11.521 ( 0.000 4.780 14.923) 15.670 11.617 ( 0.000 -4.558 13.439) 14.191 14.637 ( 0.000 3.274 4.625) 5.667 14.721 ( 0.000 -5.064 3.942) 6.417 15.257 ( 0.000 0.110 -11.708) 11.709 15.279 ( 0.000 -1.980 -11.954) 12.117 17.253 ( 0.000 0.761 0.174) 0.781 17.270 ( 0.000 -0.845 -0.137) 0.857 ======================= Grid point 361 (122/200) ======================= q-point: ( 0.12 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 15.027 3.973 -1.467) 15.612 0.967 ( 14.521 -3.292 -2.389) 15.080 1.107 ( 1.669 6.310 1.890) 6.795 1.247 ( 1.278 -7.204 1.016) 7.387 1.801 ( -5.228 1.592 1.572) 5.687 1.815 ( -6.414 0.030 0.546) 6.437 2.039 ( -0.244 3.299 7.708) 8.388 2.095 ( -0.387 -1.977 6.614) 6.914 2.176 ( -3.658 0.373 7.224) 8.106 2.182 ( -3.210 -0.199 6.771) 7.496 3.935 ( 0.302 4.842 -0.128) 4.853 3.956 ( -10.236 0.456 -2.081) 10.455 4.026 ( 2.840 6.677 1.792) 7.474 4.175 ( 14.475 -5.063 3.083) 15.642 6.350 ( -8.483 17.877 -10.076) 22.205 6.651 ( -8.151 -11.591 -10.921) 17.890 11.627 ( 11.180 4.655 14.512) 18.901 11.720 ( 10.916 -4.440 13.059) 17.590 14.472 ( -16.005 3.117 4.713) 16.973 14.555 ( -16.322 -5.110 4.107) 17.589 15.384 ( 12.897 1.930 -11.139) 17.150 15.439 ( 14.520 -3.430 -11.574) 18.883 17.220 ( -4.147 0.115 -1.174) 4.312 17.226 ( -4.420 -0.500 -1.115) 4.585 ======================= Grid point 362 (123/200) ======================= q-point: ( 0.25 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 3.197 4.752 2.042) 6.080 1.183 ( 3.877 -4.993 0.073) 6.322 1.275 ( 15.146 5.171 1.033) 16.038 1.381 ( 13.532 -5.055 0.711) 14.462 1.686 ( -4.545 0.981 1.739) 4.964 1.701 ( -2.672 -0.441 1.499) 3.095 2.043 ( 0.451 2.655 7.229) 7.715 2.067 ( -3.414 0.146 7.021) 7.808 2.116 ( -1.455 0.396 6.660) 6.829 2.133 ( -0.184 -0.986 5.647) 5.736 3.633 ( -22.179 1.019 -2.991) 22.403 3.650 ( -21.942 -0.616 -3.241) 22.188 4.358 ( 23.404 14.628 2.751) 27.736 4.582 ( 26.021 -6.990 0.866) 26.958 6.121 ( -15.625 17.841 -7.231) 24.794 6.427 ( -15.472 -12.000 -8.891) 21.505 11.933 ( 21.039 4.288 13.404) 25.312 12.018 ( 20.523 -4.075 12.051) 24.146 14.081 ( -25.020 2.659 6.190) 25.912 14.153 ( -25.769 -4.391 5.723) 26.759 15.697 ( 19.603 3.020 -10.823) 22.595 15.773 ( 20.356 -4.447 -11.719) 23.906 17.079 ( -10.458 1.028 -3.529) 11.085 17.110 ( -8.728 -2.005 -4.232) 9.905 ======================= Grid point 363 (124/200) ======================= q-point: ( 0.38 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 3.752 4.229 3.019) 6.409 1.229 ( 2.630 -4.475 1.895) 5.526 1.357 ( -5.215 3.277 3.430) 7.050 1.420 ( -6.160 -2.766 2.708) 7.276 1.791 ( 10.188 2.828 4.839) 11.628 1.854 ( 12.373 -3.207 5.104) 13.763 1.988 ( -4.024 2.386 8.301) 9.528 2.027 ( -2.256 -1.326 7.788) 8.216 2.215 ( 14.570 1.599 0.649) 14.672 2.234 ( 13.620 -0.114 -0.548) 13.631 3.159 ( -27.590 1.228 -3.644) 27.857 3.178 ( -27.568 -0.633 -4.006) 27.865 4.832 ( 26.223 17.344 0.666) 31.447 5.095 ( 27.564 -7.413 -1.896) 28.607 5.776 ( -20.647 16.299 -3.932) 26.597 6.078 ( -21.479 -12.362 -6.353) 25.584 12.399 ( 28.130 3.809 11.871) 30.769 12.473 ( 27.483 -3.431 10.693) 29.689 13.556 ( -30.274 2.214 8.203) 31.443 13.618 ( -30.534 -3.768 7.623) 31.696 16.091 ( 21.694 3.413 -10.186) 24.209 16.175 ( 21.758 -4.800 -11.372) 25.016 16.831 ( -15.917 2.184 -6.264) 17.244 16.891 ( -14.593 -3.711 -7.450) 16.800 ======================= Grid point 364 (125/200) ======================= q-point: (-0.50 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -5.954 3.547 3.355) 7.699 1.232 ( 5.954 3.547 3.355) 7.699 1.306 ( -5.016 -3.663 2.759) 6.796 1.306 ( 5.016 -3.663 2.759) 6.796 1.914 ( -4.173 3.457 8.661) 10.216 1.914 ( 4.173 3.457 8.661) 10.216 1.979 ( -3.135 -2.774 8.209) 9.215 1.979 ( 3.135 -2.774 8.209) 9.215 2.632 ( -21.277 1.534 -3.747) 21.658 2.632 ( 21.277 1.534 -3.747) 21.658 2.653 ( -21.491 -0.578 -4.080) 21.883 2.653 ( 21.491 -0.578 -4.080) 21.883 5.306 ( -21.996 20.052 -2.333) 29.855 5.306 ( 21.996 20.052 -2.333) 29.855 5.642 ( -23.032 -13.062 -3.242) 26.675 5.642 ( 23.032 -13.062 -3.242) 26.675 12.944 ( -18.493 5.095 9.802) 21.542 12.944 ( 18.493 5.095 9.802) 21.542 13.054 ( -18.073 -5.619 9.564) 21.206 13.054 ( 18.073 -5.619 9.564) 21.206 16.484 ( -17.936 3.574 -9.019) 20.391 16.484 ( 17.936 3.574 -9.019) 20.391 16.572 ( -17.293 -5.119 -9.557) 20.411 16.572 ( 17.293 -5.119 -9.557) 20.411 ======================= Grid point 405 (126/200) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 0.000 0.000 2.680) 2.680 0.925 ( 0.000 0.000 -5.007) 5.007 0.941 ( 0.000 0.000 9.666) 9.666 1.658 ( 0.000 0.000 -5.430) 5.430 1.820 ( 0.000 0.000 -2.998) 2.998 1.824 ( 0.000 0.000 -1.097) 1.097 1.858 ( 0.000 0.000 10.330) 10.330 1.967 ( 0.000 0.000 6.170) 6.170 2.315 ( 0.000 0.000 4.495) 4.495 2.326 ( 0.000 0.000 4.611) 4.611 2.858 ( 0.000 0.000 -3.004) 3.004 2.967 ( 0.000 0.000 -4.317) 4.317 4.022 ( 0.000 0.000 -0.785) 0.785 4.101 ( 0.000 0.000 -3.018) 3.018 5.677 ( 0.000 0.000 16.619) 16.619 6.774 ( 0.000 0.000 -10.012) 10.012 11.624 ( 0.000 0.000 16.057) 16.057 12.017 ( 0.000 0.000 7.257) 7.257 14.633 ( 0.000 0.000 4.245) 4.245 15.048 ( 0.000 0.000 -4.044) 4.044 15.175 ( 0.000 0.000 -9.549) 9.549 15.264 ( 0.000 0.000 -9.822) 9.822 17.223 ( 0.000 0.000 -0.870) 0.870 17.277 ( 0.000 0.000 -2.274) 2.274 ======================= Grid point 406 (127/200) ======================= q-point: ( 0.12 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 17.577 0.000 2.200) 17.714 0.937 ( -0.318 0.000 8.822) 8.827 1.073 ( 14.813 0.000 -4.858) 15.590 1.558 ( -9.752 0.000 -5.141) 11.024 1.776 ( -1.861 0.000 -1.452) 2.360 1.852 ( 0.505 0.000 -3.370) 3.408 1.863 ( 0.576 0.000 9.957) 9.973 1.959 ( -0.723 0.000 6.325) 6.366 2.280 ( -4.136 0.000 4.961) 6.459 2.292 ( -2.862 0.000 5.076) 5.828 2.843 ( 6.699 0.000 2.289) 7.080 3.281 ( 22.960 0.000 -7.391) 24.120 3.893 ( -13.495 0.000 -0.810) 13.519 3.970 ( -13.580 0.000 -2.939) 13.895 5.645 ( -3.111 0.000 15.948) 16.249 6.708 ( -6.979 0.000 -9.772) 12.008 11.726 ( 10.799 0.000 15.529) 18.915 12.107 ( 9.575 0.000 6.978) 11.848 14.506 ( -12.939 0.000 4.408) 13.669 14.913 ( -15.987 0.000 -3.606) 16.388 15.208 ( 9.057 0.000 -7.440) 11.721 15.451 ( 15.428 0.000 -10.866) 18.870 17.190 ( -5.126 0.000 -2.270) 5.606 17.229 ( -3.837 0.000 -2.837) 4.772 ======================= Grid point 407 (128/200) ======================= q-point: ( 0.25 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.460 0.000 6.901) 6.917 1.094 ( 20.104 0.000 3.194) 20.356 1.347 ( -11.462 0.000 -3.111) 11.877 1.429 ( 21.429 0.000 -4.731) 21.945 1.758 ( -0.102 0.000 -2.026) 2.028 1.846 ( -0.891 0.000 -4.049) 4.146 1.882 ( 1.362 0.000 8.436) 8.545 1.962 ( 2.666 0.000 6.439) 6.969 2.182 ( -5.552 0.000 6.169) 8.299 2.224 ( -4.141 0.000 5.948) 7.248 3.097 ( 18.657 0.000 6.364) 19.713 3.538 ( -23.602 0.000 -0.838) 23.617 3.616 ( -23.400 0.000 -2.902) 23.579 3.703 ( 19.617 0.000 -7.024) 20.837 5.587 ( -1.785 0.000 12.953) 13.076 6.517 ( -13.265 0.000 -8.932) 15.992 12.021 ( 20.285 0.000 14.023) 24.660 12.367 ( 17.753 0.000 6.220) 18.811 14.177 ( -21.510 0.000 5.711) 22.255 14.505 ( -26.212 0.000 -0.237) 26.214 15.475 ( 18.140 0.000 -6.410) 19.239 15.794 ( 20.323 0.000 -12.775) 24.004 17.013 ( -12.713 0.000 -2.656) 12.988 17.138 ( -6.920 0.000 -6.287) 9.349 ======================= Grid point 408 (129/200) ======================= q-point: ( 0.38 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 2.328 0.000 4.662) 5.211 1.157 ( -8.540 0.000 -0.401) 8.550 1.426 ( 14.198 0.000 6.845) 15.762 1.706 ( 1.671 0.000 3.224) 3.631 1.769 ( 1.067 0.000 -2.820) 3.015 1.823 ( -1.474 0.000 -3.981) 4.245 2.015 ( 15.258 0.000 1.452) 15.326 2.096 ( 3.278 0.000 3.306) 4.656 2.127 ( 7.588 0.000 6.569) 10.036 2.168 ( 4.048 0.000 5.690) 6.983 3.044 ( -28.045 0.000 -0.750) 28.055 3.122 ( -28.506 0.000 -2.833) 28.647 3.480 ( 20.717 0.000 7.519) 22.039 3.932 ( 3.145 0.000 -1.332) 3.416 5.635 ( 8.116 0.000 5.482) 9.794 6.222 ( -17.616 0.000 -7.000) 18.956 12.464 ( 26.044 0.000 11.645) 28.529 12.745 ( 20.888 0.000 5.164) 21.517 13.733 ( -24.101 0.000 7.849) 25.347 13.978 ( -28.648 0.000 3.277) 28.835 15.851 ( 21.131 0.000 -6.453) 22.094 16.169 ( 17.543 0.000 -13.918) 22.393 16.744 ( -14.330 0.000 -2.858) 14.613 16.955 ( -12.503 0.000 -8.993) 15.402 ======================= Grid point 409 (130/200) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -5.098 0.000 2.243) 5.570 1.030 ( 5.098 0.000 2.243) 5.570 1.624 ( -7.621 0.000 8.231) 11.218 1.624 ( 7.621 0.000 8.231) 11.218 1.794 ( -1.547 0.000 -3.516) 3.842 1.794 ( 1.547 0.000 -3.516) 3.842 2.080 ( -1.484 0.000 6.076) 6.255 2.080 ( 1.484 0.000 6.076) 6.255 2.497 ( -13.808 0.000 -1.456) 13.884 2.497 ( 13.808 0.000 -1.456) 13.884 2.597 ( -15.833 0.000 -0.764) 15.852 2.597 ( 15.833 0.000 -0.764) 15.852 3.819 ( -13.767 0.000 5.211) 14.721 3.819 ( 13.767 0.000 5.211) 14.721 5.885 ( -17.175 0.000 -2.665) 17.380 5.885 ( 17.175 0.000 -2.665) 17.380 12.907 ( -14.112 0.000 7.402) 15.935 12.907 ( 14.112 0.000 7.402) 15.935 13.525 ( -12.806 0.000 6.942) 14.567 13.525 ( 12.806 0.000 6.942) 14.567 16.219 ( -15.099 0.000 -8.474) 17.314 16.219 ( 15.099 0.000 -8.474) 17.314 16.699 ( -12.192 0.000 -8.349) 14.777 16.699 ( 12.192 0.000 -8.349) 14.777 ======================= Grid point 414 (131/200) ======================= q-point: ( 0.00 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 0.000 0.261 1.991) 2.008 0.883 ( 0.000 -2.049 -1.991) 2.857 0.989 ( 0.000 2.198 5.708) 6.117 1.615 ( 0.000 -4.330 -5.308) 6.850 1.794 ( 0.000 -0.965 2.723) 2.889 1.809 ( 0.000 0.310 -0.124) 0.334 1.920 ( 0.000 4.394 6.599) 7.928 2.048 ( 0.000 5.968 3.662) 7.002 2.312 ( 0.000 -0.068 4.520) 4.520 2.328 ( 0.000 0.179 4.605) 4.608 3.066 ( 0.000 9.529 -2.890) 9.958 3.093 ( 0.000 20.639 -4.103) 21.043 4.025 ( 0.000 0.224 -0.884) 0.912 4.101 ( 0.000 0.003 -3.120) 3.120 5.702 ( 0.000 2.631 15.040) 15.268 6.772 ( 0.000 -0.319 -10.320) 10.325 11.637 ( 0.000 1.314 15.789) 15.844 12.005 ( 0.000 -1.097 7.561) 7.640 14.634 ( 0.000 0.156 4.038) 4.041 15.022 ( 0.000 -2.555 -3.576) 4.395 15.154 ( 0.000 -1.863 -9.359) 9.542 15.241 ( 0.000 -2.142 -9.775) 10.007 17.223 ( 0.000 0.067 -0.865) 0.868 17.275 ( 0.000 -0.177 -2.208) 2.215 ======================= Grid point 415 (132/200) ======================= q-point: ( 0.12 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 17.723 0.512 1.649) 17.807 0.955 ( 2.431 1.145 6.906) 7.410 1.065 ( 12.445 -0.619 -3.575) 12.963 1.554 ( -6.434 -1.166 -4.735) 8.073 1.753 ( -2.468 -0.852 1.321) 2.926 1.800 ( -1.751 -2.468 -0.423) 3.055 1.925 ( 0.832 4.693 7.448) 8.843 2.044 ( -0.531 5.827 3.581) 6.860 2.276 ( -3.921 -0.166 4.781) 6.186 2.289 ( -3.343 -0.092 5.121) 6.117 3.025 ( 6.348 15.852 1.971) 17.190 3.425 ( 22.509 13.772 -7.193) 27.351 3.896 ( -13.429 0.286 -0.949) 13.465 3.970 ( -13.523 0.074 -3.101) 13.874 5.667 ( -3.437 2.332 14.613) 15.192 6.707 ( -6.945 -0.285 -10.049) 12.218 11.739 ( 10.764 1.282 15.273) 18.729 12.097 ( 9.624 -1.055 7.276) 12.111 14.503 ( -13.222 -0.281 4.184) 13.871 14.882 ( -15.880 -2.990 -3.251) 16.483 15.199 ( 9.550 -0.775 -7.326) 12.061 15.429 ( 15.412 -2.072 -10.677) 18.863 17.189 ( -5.168 -0.101 -2.221) 5.625 17.225 ( -4.192 -0.392 -2.721) 5.013 ======================= Grid point 416 (133/200) ======================= q-point: ( 0.25 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 1.652 2.825 6.303) 7.102 1.107 ( 19.418 1.169 3.171) 19.709 1.339 ( 2.309 -1.291 -3.994) 4.790 1.451 ( 7.738 2.275 -3.103) 8.642 1.729 ( 0.640 -1.604 -0.285) 1.750 1.777 ( 0.626 -4.334 -0.901) 4.471 1.953 ( 1.939 4.819 6.437) 8.271 2.032 ( 0.032 4.976 4.013) 6.392 2.183 ( -5.169 0.283 5.873) 7.829 2.219 ( -4.005 -0.311 5.904) 7.141 3.268 ( 17.784 15.477 5.646) 24.242 3.541 ( -23.416 0.333 -0.992) 23.439 3.614 ( -23.028 -0.109 -2.846) 23.204 3.848 ( 19.440 13.601 -7.660) 24.931 5.600 ( -2.513 1.289 12.298) 12.618 6.516 ( -13.240 -0.224 -9.136) 16.087 12.033 ( 20.228 1.193 13.801) 24.516 12.358 ( 17.892 -0.899 6.498) 19.057 14.170 ( -21.648 -0.623 5.512) 22.348 14.479 ( -25.898 -2.506 -0.053) 26.019 15.472 ( 18.324 -0.251 -6.375) 19.403 15.773 ( 20.374 -2.090 -12.405) 23.945 17.011 ( -12.840 -0.223 -2.679) 13.118 17.126 ( -7.356 -1.140 -6.011) 9.568 ======================= Grid point 417 (134/200) ======================= q-point: ( 0.38 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 2.745 3.841 4.685) 6.651 1.200 ( -7.449 3.531 0.069) 8.244 1.431 ( 11.586 0.387 5.752) 12.941 1.604 ( 0.510 -5.749 0.478) 5.791 1.773 ( 3.494 -0.393 -1.574) 3.852 1.921 ( -0.410 6.439 -0.121) 6.453 2.017 ( 18.188 0.126 0.308) 18.191 2.114 ( 0.249 1.234 4.711) 4.877 2.132 ( 5.383 1.008 5.633) 7.856 2.167 ( 5.936 0.079 5.305) 7.962 3.046 ( -28.050 0.313 -0.980) 28.068 3.119 ( -28.528 -0.214 -2.939) 28.679 3.640 ( 20.160 14.887 6.615) 25.919 4.082 ( 3.462 14.242 -2.353) 14.844 5.635 ( 7.664 -0.122 5.385) 9.368 6.222 ( -17.665 -0.237 -7.135) 19.053 12.476 ( 26.044 1.119 11.480) 28.484 12.741 ( 21.437 -0.395 5.390) 22.108 13.722 ( -24.512 -0.990 7.660) 25.700 13.956 ( -28.597 -2.135 3.346) 28.871 15.851 ( 21.287 0.030 -6.370) 22.219 16.152 ( 18.235 -1.621 -13.435) 22.708 16.736 ( -15.002 -0.739 -2.944) 15.306 16.936 ( -12.891 -1.894 -8.695) 15.664 ======================= Grid point 418 (135/200) ======================= q-point: (-0.50 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -5.095 4.262 2.502) 7.099 1.080 ( 5.095 4.262 2.502) 7.099 1.565 ( -4.029 -4.280 4.273) 7.267 1.565 ( 4.029 -4.280 4.273) 7.267 1.852 ( -4.401 4.085 1.484) 6.185 1.852 ( 4.401 4.085 1.484) 6.185 2.096 ( -1.200 1.647 5.602) 5.962 2.096 ( 1.200 1.647 5.602) 5.962 2.498 ( -12.799 0.148 -1.778) 12.923 2.498 ( 12.799 0.148 -1.778) 12.923 2.594 ( -14.783 -0.251 -1.039) 14.821 2.594 ( 14.783 -0.251 -1.039) 14.821 3.973 ( -13.607 14.504 4.233) 20.333 3.973 ( 13.607 14.504 4.233) 20.333 5.883 ( -17.265 -0.397 -2.764) 17.490 5.883 ( 17.265 -0.397 -2.764) 17.490 12.919 ( -13.954 1.270 7.346) 15.820 12.919 ( 13.954 1.270 7.346) 15.820 13.501 ( -12.788 -2.383 6.954) 14.750 13.501 ( 12.788 -2.383 6.954) 14.750 16.221 ( -15.023 0.274 -8.277) 17.154 16.221 ( 15.023 0.274 -8.277) 17.154 16.673 ( -12.249 -2.483 -8.141) 14.916 16.673 ( 12.249 -2.483 -8.141) 14.916 ======================= Grid point 423 (136/200) ======================= q-point: ( 0.00 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 0.000 1.917 0.450) 1.969 0.845 ( 0.000 -1.852 -3.667) 4.109 1.021 ( 0.000 1.246 5.386) 5.528 1.501 ( 0.000 -6.425 -3.883) 7.508 1.799 ( 0.000 1.276 1.951) 2.332 1.832 ( 0.000 1.548 -0.125) 1.553 2.020 ( 0.000 5.214 7.129) 8.832 2.159 ( 0.000 4.433 3.521) 5.661 2.316 ( 0.000 0.349 4.624) 4.637 2.333 ( 0.000 0.350 4.646) 4.659 3.330 ( 0.000 15.656 0.381) 15.661 3.563 ( 0.000 22.612 -3.812) 22.931 4.031 ( 0.000 0.435 -1.146) 1.226 4.103 ( 0.000 0.323 -3.468) 3.483 5.793 ( 0.000 6.642 9.745) 11.793 6.751 ( 0.000 -2.161 -11.049) 11.258 11.676 ( 0.000 2.453 15.032) 15.231 11.974 ( 0.000 -1.992 8.413) 8.646 14.641 ( 0.000 0.559 3.476) 3.521 14.949 ( 0.000 -4.392 -2.312) 4.963 15.108 ( 0.000 -2.404 -9.060) 9.373 15.184 ( 0.000 -3.343 -9.631) 10.195 17.226 ( 0.000 0.202 -0.882) 0.904 17.270 ( 0.000 -0.336 -2.023) 2.051 ======================= Grid point 424 (137/200) ======================= q-point: ( 0.12 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 18.254 1.938 0.510) 18.363 0.967 ( 8.449 0.012 1.319) 8.551 1.055 ( 6.846 -0.292 0.570) 6.876 1.490 ( -1.056 -4.930 -3.561) 6.173 1.761 ( -3.278 1.377 1.604) 3.900 1.784 ( -4.843 0.653 0.033) 4.887 2.026 ( 0.698 5.036 7.357) 8.942 2.151 ( -0.877 4.309 3.547) 5.649 2.279 ( -3.587 0.434 4.633) 5.876 2.290 ( -3.838 0.224 5.104) 6.390 3.394 ( 8.739 19.149 2.710) 21.223 3.773 ( 16.473 16.835 -4.752) 24.028 3.906 ( -12.567 0.923 -1.438) 12.683 3.983 ( -10.991 2.254 -4.360) 12.038 5.748 ( -4.509 6.034 9.957) 12.485 6.686 ( -6.858 -2.109 -10.690) 12.875 11.777 ( 10.662 2.390 14.549) 18.195 12.066 ( 9.756 -1.919 8.112) 12.833 14.498 ( -13.910 -0.132 3.560) 14.359 14.799 ( -15.622 -4.928 -2.260) 16.536 15.182 ( 10.771 -0.748 -7.209) 12.983 15.373 ( 15.340 -3.373 -10.151) 18.701 17.186 ( -5.326 -0.122 -2.096) 5.725 17.214 ( -5.024 -0.583 -2.455) 5.622 ======================= Grid point 425 (138/200) ======================= q-point: ( 0.25 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 2.489 2.809 5.430) 6.601 1.138 ( 19.817 1.886 2.270) 20.035 1.298 ( 9.302 -2.500 -3.646) 10.299 1.492 ( 3.723 0.651 -2.210) 4.378 1.701 ( -1.752 -1.936 0.065) 2.612 1.718 ( 1.554 -0.143 0.598) 1.671 2.049 ( 1.671 4.379 6.919) 8.357 2.125 ( -1.712 3.768 3.921) 5.701 2.198 ( -4.116 1.272 5.166) 6.727 2.218 ( -3.592 0.308 5.618) 6.675 3.548 ( -22.933 0.851 -1.471) 22.996 3.593 ( -15.627 2.900 -1.144) 15.935 3.674 ( 10.144 17.737 3.087) 20.665 4.199 ( 20.272 19.044 -8.164) 28.987 5.646 ( -5.262 3.620 9.685) 11.601 6.497 ( -13.181 -2.020 -9.578) 16.418 12.068 ( 20.064 2.221 13.169) 24.103 12.332 ( 18.259 -1.658 7.283) 19.728 14.156 ( -21.998 -0.626 4.947) 22.556 14.409 ( -25.102 -4.233 0.473) 25.461 15.468 ( 18.789 0.069 -6.409) 19.852 15.715 ( 20.469 -3.459 -11.414) 23.690 17.006 ( -13.086 -0.249 -2.759) 13.376 17.096 ( -8.540 -1.784 -5.317) 10.217 ======================= Grid point 426 (139/200) ======================= q-point: ( 0.38 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 3.645 3.398 4.691) 6.844 1.270 ( -4.750 3.035 1.054) 5.735 1.425 ( 6.272 -1.671 2.725) 7.039 1.520 ( -1.747 -2.040 0.753) 2.790 1.773 ( 9.564 0.741 0.697) 9.618 2.011 ( 23.124 -0.984 -0.495) 23.150 2.030 ( -1.860 3.993 4.420) 6.240 2.148 ( -1.240 2.767 4.400) 5.344 2.163 ( -2.072 1.013 5.992) 6.420 2.183 ( 10.826 1.869 2.878) 11.357 3.057 ( -28.105 0.707 -1.630) 28.161 3.114 ( -28.553 -0.286 -3.212) 28.735 4.028 ( 20.011 21.889 4.875) 30.055 4.463 ( 4.934 21.852 -4.776) 22.906 5.625 ( 5.377 -0.895 5.090) 7.458 6.202 ( -17.819 -2.073 -7.408) 19.409 12.509 ( 26.071 2.096 11.017) 28.380 12.729 ( 22.875 -0.858 6.058) 23.679 13.698 ( -25.612 -1.221 7.099) 26.606 13.895 ( -28.477 -3.653 3.554) 28.929 15.856 ( 21.692 0.510 -6.252) 22.581 16.106 ( 19.895 -2.831 -12.098) 23.456 16.718 ( -16.540 -0.847 -3.262) 16.880 16.883 ( -13.988 -3.110 -7.908) 16.366 ======================= Grid point 427 (140/200) ======================= q-point: (-0.50 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -5.224 4.026 3.182) 7.323 1.169 ( 5.224 4.026 3.182) 7.323 1.483 ( -1.948 -3.665 1.743) 4.502 1.483 ( 1.948 -3.665 1.743) 4.502 1.931 ( -6.168 3.755 5.824) 9.277 1.931 ( 6.168 3.755 5.824) 9.277 2.138 ( -0.397 2.073 5.404) 5.801 2.138 ( 0.397 2.073 5.404) 5.801 2.505 ( -10.406 0.615 -2.750) 10.781 2.505 ( 10.406 0.615 -2.750) 10.781 2.589 ( -11.697 -0.194 -1.759) 11.830 2.589 ( 11.697 -0.194 -1.759) 11.830 4.361 ( -13.827 22.541 2.024) 26.521 4.361 ( 13.827 22.541 2.024) 26.521 5.858 ( -17.452 -2.365 -2.973) 17.861 5.858 ( 17.452 -2.365 -2.973) 17.861 12.958 ( -13.556 2.590 7.212) 15.572 12.958 ( 13.556 2.590 7.212) 15.572 13.432 ( -12.728 -4.273 6.977) 15.131 13.432 ( 12.728 -4.273 6.977) 15.131 16.233 ( -14.772 0.980 -7.778) 16.724 16.233 ( 14.772 0.980 -7.778) 16.724 16.603 ( -12.428 -4.282 -7.633) 15.200 16.603 ( 12.428 -4.282 -7.633) 15.200 ======================= Grid point 432 (141/200) ======================= q-point: ( 0.00 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 0.000 3.262 -1.191) 3.473 0.803 ( 0.000 -2.360 -4.254) 4.865 1.055 ( 0.000 2.420 3.696) 4.418 1.366 ( 0.000 -6.745 -2.583) 7.223 1.833 ( 0.000 1.811 0.775) 1.970 1.860 ( 0.000 1.093 -0.423) 1.172 2.121 ( 0.000 4.478 7.526) 8.758 2.221 ( 0.000 1.720 4.670) 4.977 2.325 ( 0.000 0.506 4.763) 4.790 2.340 ( 0.000 0.226 4.760) 4.765 3.657 ( 0.000 15.589 3.531) 15.984 3.909 ( 0.000 10.190 0.401) 10.198 4.042 ( 0.000 0.689 -1.474) 1.627 4.120 ( 0.000 1.463 -3.407) 3.708 5.980 ( 0.000 11.805 0.933) 11.842 6.671 ( 0.000 -5.997 -11.584) 13.045 11.734 ( 0.000 3.186 13.905) 14.265 11.926 ( 0.000 -2.644 9.656) 10.011 14.660 ( 0.000 1.364 2.686) 3.012 14.854 ( 0.000 -4.767 -0.754) 4.827 15.066 ( 0.000 -1.654 -8.930) 9.082 15.116 ( 0.000 -3.143 -9.404) 9.916 17.232 ( 0.000 0.377 -0.978) 1.048 17.262 ( 0.000 -0.464 -1.757) 1.817 ======================= Grid point 433 (142/200) ======================= q-point: ( 0.12 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 18.038 2.718 -0.572) 18.251 0.955 ( 13.984 -1.380 -3.106) 14.391 1.067 ( 1.885 1.950 3.083) 4.106 1.373 ( 1.061 -6.284 -2.329) 6.785 1.794 ( -3.845 1.621 0.920) 4.273 1.807 ( -5.306 1.232 0.200) 5.451 2.121 ( 0.097 4.191 7.516) 8.606 2.212 ( -1.008 1.718 4.626) 5.037 2.290 ( -3.192 0.511 4.754) 5.749 2.298 ( -3.830 0.403 5.011) 6.320 3.764 ( 10.404 16.249 4.018) 19.708 3.906 ( -11.720 0.974 -1.270) 11.829 3.942 ( -9.179 1.505 -1.749) 9.465 4.153 ( 13.049 9.598 -3.170) 16.506 5.924 ( -5.927 11.322 1.625) 12.882 6.607 ( -6.765 -5.957 -11.104) 14.302 11.833 ( 10.505 3.104 13.466) 17.359 12.020 ( 9.937 -2.558 9.331) 13.869 14.502 ( -14.634 0.749 2.657) 14.892 14.694 ( -15.407 -5.209 -0.938) 16.291 15.175 ( 12.257 0.137 -7.371) 14.303 15.300 ( 15.110 -3.563 -9.398) 18.148 17.185 ( -5.644 -0.014 -1.966) 5.977 17.202 ( -5.808 -0.558 -2.184) 6.230 ======================= Grid point 434 (143/200) ======================= q-point: ( 0.25 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 3.110 2.118 4.422) 5.806 1.191 ( 19.559 3.444 0.402) 19.864 1.243 ( 8.996 -2.839 -2.048) 9.653 1.458 ( 10.009 -3.558 -2.120) 10.832 1.695 ( -4.227 0.931 1.136) 4.475 1.725 ( -1.101 0.475 0.849) 1.470 2.128 ( 0.736 3.431 7.125) 7.943 2.178 ( -2.724 1.560 5.165) 6.045 2.229 ( -2.572 1.269 4.434) 5.281 2.229 ( -2.866 0.756 5.458) 6.211 3.563 ( -23.142 0.724 -2.028) 23.242 3.597 ( -22.672 -0.308 -2.773) 22.843 4.083 ( 19.333 19.332 4.287) 27.674 4.523 ( 22.580 10.813 -5.051) 25.540 5.769 ( -10.023 9.016 3.307) 13.882 6.420 ( -13.142 -5.900 -9.732) 17.384 12.121 ( 19.818 2.881 12.219) 23.459 12.292 ( 18.723 -2.267 8.431) 20.659 14.151 ( -22.428 0.303 4.116) 22.805 14.317 ( -24.181 -4.623 1.253) 24.651 15.479 ( 19.368 0.999 -6.755) 20.536 15.639 ( 20.481 -3.803 -10.078) 23.141 17.003 ( -13.138 0.030 -2.930) 13.460 17.059 ( -10.120 -1.763 -4.491) 11.211 ======================= Grid point 435 (144/200) ======================= q-point: ( 0.38 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 4.237 2.584 4.124) 6.452 1.307 ( -0.018 -0.344 0.472) 0.584 1.386 ( 0.245 -0.481 2.670) 2.724 1.498 ( -4.393 -1.106 1.050) 4.651 1.807 ( 14.693 2.437 2.277) 15.067 1.976 ( 23.084 -2.287 0.383) 23.200 2.095 ( -3.786 2.770 7.136) 8.540 2.177 ( -0.219 0.418 6.210) 6.228 2.211 ( 1.701 2.790 2.064) 3.865 2.222 ( 7.314 1.684 2.732) 7.987 3.073 ( -28.105 0.855 -2.434) 28.223 3.108 ( -28.464 -0.296 -3.467) 28.675 4.475 ( 21.344 21.215 3.254) 30.270 4.888 ( 11.925 17.567 -6.379) 22.170 5.610 ( -3.165 0.391 3.869) 5.014 6.123 ( -18.123 -6.051 -7.416) 20.495 12.558 ( 26.153 2.721 10.312) 28.244 12.705 ( 24.577 -1.500 7.093) 25.624 13.680 ( -26.951 -0.303 6.238) 27.665 13.815 ( -28.373 -4.060 3.918) 28.928 15.875 ( 22.199 1.451 -6.403) 23.150 16.042 ( 21.567 -3.386 -10.261) 24.123 16.707 ( -17.856 -0.107 -3.881) 18.273 16.817 ( -15.556 -3.295 -6.866) 17.320 ======================= Grid point 436 (145/200) ======================= q-point: (-0.50 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -5.545 2.959 3.489) 7.189 1.239 ( 5.545 2.959 3.489) 7.189 1.415 ( -3.632 -3.123 1.253) 4.951 1.415 ( 3.632 -3.123 1.253) 4.951 2.008 ( -5.997 3.767 7.504) 10.318 2.008 ( 5.997 3.767 7.504) 10.318 2.162 ( -0.918 0.041 6.451) 6.516 2.162 ( 0.918 0.041 6.451) 6.516 2.525 ( -8.398 1.321 -3.775) 9.302 2.525 ( 8.397 1.321 -3.775) 9.301 2.586 ( -8.471 -0.236 -2.655) 8.881 2.586 ( 8.471 -0.236 -2.655) 8.881 4.834 ( -14.896 23.076 -0.216) 27.467 4.834 ( 14.896 23.076 -0.216) 27.467 5.772 ( -17.503 -6.565 -3.065) 18.943 5.772 ( 17.503 -6.565 -3.065) 18.943 13.024 ( -13.100 3.889 7.077) 15.389 13.024 ( 13.100 3.889 7.077) 15.389 13.333 ( -12.647 -5.342 6.985) 15.403 13.333 ( 12.647 -5.342 6.985) 15.403 16.264 ( -14.335 2.187 -7.204) 16.192 16.264 ( 14.335 2.187 -7.204) 16.192 16.507 ( -12.748 -5.011 -7.087) 15.422 16.507 ( 12.748 -5.011 -7.087) 15.422 ======================= Grid point 441 (146/200) ======================= q-point: ( 0.00 0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 0.000 3.585 -2.598) 4.428 0.747 ( 0.000 -3.153 -3.699) 4.861 1.125 ( 0.000 4.532 1.203) 4.689 1.234 ( 0.000 -6.095 -0.998) 6.177 1.863 ( 0.000 1.047 0.021) 1.048 1.873 ( 0.000 0.106 -0.355) 0.371 2.195 ( 0.000 2.795 7.084) 7.615 2.231 ( 0.000 -0.672 6.004) 6.041 2.334 ( 0.000 0.427 4.883) 4.901 2.341 ( 0.000 -0.148 4.892) 4.894 3.920 ( 0.000 9.147 4.684) 10.277 3.998 ( 0.000 0.285 1.856) 1.878 4.065 ( 0.000 2.076 -1.366) 2.485 4.127 ( 0.000 -2.072 -0.078) 2.074 6.248 ( 0.000 13.689 -6.990) 15.371 6.501 ( 0.000 -10.737 -10.799) 15.229 11.801 ( 0.000 3.373 12.549) 12.995 11.868 ( 0.000 -3.121 11.091) 11.522 14.699 ( 0.000 2.568 1.750) 3.107 14.765 ( 0.000 -3.904 0.632) 3.954 15.047 ( 0.000 -0.074 -8.980) 8.980 15.064 ( 0.000 -1.773 -9.159) 9.329 17.241 ( 0.000 0.506 -1.178) 1.282 17.252 ( 0.000 -0.533 -1.456) 1.550 ======================= Grid point 442 (147/200) ======================= q-point: ( 0.12 0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 16.857 2.833 -1.651) 17.173 0.914 ( 15.689 -2.505 -2.834) 16.138 1.136 ( 1.418 4.625 1.154) 4.973 1.246 ( 1.633 -6.030 -0.905) 6.312 1.820 ( -4.460 0.805 0.548) 4.565 1.824 ( -4.901 0.345 0.378) 4.928 2.191 ( -0.438 2.587 6.946) 7.425 2.223 ( -0.856 -0.550 5.848) 5.936 2.299 ( -3.210 0.348 4.953) 5.913 2.302 ( -3.422 0.014 5.027) 6.081 3.915 ( -11.353 0.756 -1.463) 11.472 3.921 ( -11.423 0.215 -1.446) 11.516 4.086 ( 11.814 10.833 3.891) 16.494 4.229 ( 14.226 -2.234 2.292) 14.582 6.186 ( -6.611 13.581 -6.292) 16.363 6.438 ( -6.715 -10.721 -10.199) 16.250 11.899 ( 10.321 3.285 12.156) 16.281 11.963 ( 10.130 -3.033 10.735) 15.069 14.533 ( -15.100 2.320 1.585) 15.359 14.598 ( -15.292 -4.079 0.384) 15.832 15.191 ( 13.603 1.484 -7.855) 15.778 15.235 ( 14.567 -2.792 -8.577) 17.134 17.186 ( -6.012 0.189 -1.918) 6.313 17.192 ( -6.147 -0.404 -1.993) 6.474 ======================= Grid point 443 (148/200) ======================= q-point: ( 0.25 0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 5.103 2.494 2.356) 6.149 1.181 ( 6.930 -2.962 0.036) 7.537 1.276 ( 17.476 4.533 -0.807) 18.072 1.371 ( 14.365 -4.676 -1.614) 15.193 1.717 ( -4.247 0.976 1.394) 4.575 1.729 ( -3.054 -0.187 1.233) 3.299 2.183 ( -0.410 1.752 6.432) 6.679 2.196 ( -2.088 0.280 5.791) 6.163 2.240 ( -2.499 0.395 5.279) 5.854 2.244 ( -1.984 0.124 5.077) 5.452 3.577 ( -22.961 0.653 -2.491) 23.105 3.589 ( -22.849 -0.484 -2.756) 23.020 4.420 ( 21.621 13.348 3.449) 25.643 4.597 ( 23.269 -3.284 0.503) 23.505 6.002 ( -12.802 13.034 -4.508) 18.817 6.251 ( -13.157 -10.692 -8.606) 19.013 12.181 ( 19.516 3.037 11.047) 22.631 12.241 ( 19.157 -2.762 9.745) 21.670 14.173 ( -22.881 1.958 3.153) 23.180 14.231 ( -23.427 -3.673 2.173) 23.812 15.511 ( 19.914 2.199 -7.536) 21.405 15.567 ( 20.305 -3.265 -8.700) 22.331 17.009 ( -12.692 0.585 -3.248) 13.114 17.027 ( -11.634 -1.256 -3.767) 12.293 ======================= Grid point 444 (149/200) ======================= q-point: ( 0.38 0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 4.288 2.853 2.864) 5.893 1.260 ( 3.795 -3.155 1.291) 5.101 1.416 ( -4.229 2.424 2.471) 5.465 1.465 ( -5.082 -2.140 1.586) 5.737 1.864 ( 18.008 2.988 2.342) 18.404 1.924 ( 20.692 -2.850 1.575) 20.947 2.144 ( -2.782 2.019 7.024) 7.820 2.174 ( -1.326 -0.816 6.580) 6.761 2.248 ( 5.578 0.804 2.545) 6.184 2.249 ( 4.358 0.846 2.026) 4.880 3.090 ( -28.133 0.708 -3.108) 28.313 3.101 ( -28.274 -0.441 -3.470) 28.489 4.853 ( 23.681 15.381 1.495) 28.277 5.054 ( 24.246 -2.517 -2.248) 24.480 5.715 ( -17.317 10.469 -2.085) 20.342 5.950 ( -18.672 -10.868 -6.347) 22.517 12.615 ( 26.179 2.777 9.398) 27.953 12.667 ( 25.769 -2.262 8.288) 27.164 13.691 ( -27.910 1.469 5.286) 28.444 13.740 ( -28.278 -3.208 4.483) 28.810 15.915 ( 22.585 2.495 -7.103) 23.807 15.974 ( 22.493 -3.234 -8.448) 24.243 16.718 ( -18.077 1.202 -4.753) 18.730 16.756 ( -17.133 -2.526 -5.775) 18.256 ======================= Grid point 445 (150/200) ======================= q-point: (-0.50 0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -5.667 2.791 2.952) 6.972 1.296 ( 5.667 2.791 2.952) 6.972 1.354 ( -5.100 -2.937 1.974) 6.207 1.354 ( 5.100 -2.937 1.973) 6.207 2.081 ( -4.888 3.393 7.736) 9.760 2.081 ( 4.888 3.393 7.736) 9.760 2.139 ( -3.023 -2.181 7.356) 8.246 2.139 ( 3.023 -2.181 7.356) 8.246 2.554 ( -7.082 1.396 -3.946) 8.227 2.554 ( 7.082 1.396 -3.946) 8.226 2.576 ( -6.956 -0.769 -3.451) 7.803 2.576 ( 6.956 -0.769 -3.451) 7.803 5.263 ( -16.208 18.733 -1.853) 24.840 5.263 ( 16.208 18.733 -1.853) 24.840 5.581 ( -17.138 -12.494 -2.766) 21.388 5.581 ( 17.138 -12.494 -2.766) 21.388 13.114 ( -12.763 4.955 6.997) 15.376 13.114 ( 12.763 4.955 6.997) 15.376 13.222 ( -12.625 -5.521 6.979) 15.446 13.222 ( 12.625 -5.521 6.979) 15.446 16.323 ( -13.776 3.579 -6.810) 15.779 16.323 ( 13.776 3.579 -6.810) 15.779 16.407 ( -13.212 -4.675 -6.765) 15.562 16.407 ( 13.212 -4.675 -6.765) 15.562 ======================= Grid point 486 (151/200) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 0.000 0.000 3.948) 3.948 0.812 ( 0.000 0.000 -6.059) 6.059 1.136 ( 0.000 0.000 9.735) 9.735 1.512 ( 0.000 0.000 -8.544) 8.544 1.791 ( 0.000 0.000 -0.382) 0.382 1.805 ( 0.000 0.000 -0.787) 0.787 2.017 ( 0.000 0.000 5.476) 5.476 2.059 ( 0.000 0.000 2.948) 2.948 2.385 ( 0.000 0.000 2.420) 2.420 2.393 ( 0.000 0.000 2.106) 2.106 2.823 ( 0.000 0.000 -0.542) 0.542 2.888 ( 0.000 0.000 -3.422) 3.422 4.013 ( 0.000 0.000 -0.062) 0.062 4.051 ( 0.000 0.000 -1.981) 1.981 5.999 ( 0.000 0.000 15.422) 15.422 6.553 ( 0.000 0.000 -12.039) 12.039 11.903 ( 0.000 0.000 11.500) 11.500 12.110 ( 0.000 0.000 1.640) 1.640 14.723 ( 0.000 0.000 4.978) 4.978 14.973 ( 0.000 0.000 -5.271) 5.271 15.015 ( 0.000 0.000 -4.315) 4.315 15.099 ( 0.000 0.000 -6.466) 6.466 17.205 ( 0.000 0.000 -0.636) 0.636 17.232 ( 0.000 0.000 -1.984) 1.984 ======================= Grid point 487 (152/200) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 17.135 0.000 3.324) 17.454 0.967 ( 15.334 0.000 -5.509) 16.293 1.113 ( -2.206 0.000 8.633) 8.910 1.435 ( -7.466 0.000 -7.060) 10.276 1.759 ( -2.148 0.000 -0.231) 2.161 1.797 ( -1.053 0.000 -2.083) 2.334 2.016 ( 0.021 0.000 5.354) 5.354 2.055 ( -0.348 0.000 3.121) 3.140 2.358 ( -3.093 0.000 2.712) 4.113 2.367 ( -2.370 0.000 2.370) 3.352 2.908 ( 12.238 0.000 4.195) 12.937 3.137 ( 20.466 0.000 -6.892) 21.595 3.884 ( -13.494 0.000 -0.063) 13.494 3.920 ( -13.515 0.000 -1.949) 13.655 5.954 ( -4.502 0.000 14.902) 15.567 6.492 ( -6.364 0.000 -11.726) 13.342 11.996 ( 9.795 0.000 11.103) 14.806 12.197 ( 9.150 0.000 1.530) 9.277 14.595 ( -12.464 0.000 4.674) 13.311 14.816 ( -14.124 0.000 -5.773) 15.258 15.120 ( 11.061 0.000 -1.343) 11.143 15.263 ( 13.634 0.000 -7.753) 15.685 17.154 ( -5.997 0.000 -1.175) 6.111 17.176 ( -5.445 0.000 -2.189) 5.868 ======================= Grid point 488 (153/200) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -2.001 0.000 6.266) 6.578 1.158 ( 21.869 0.000 3.425) 22.136 1.277 ( -8.341 0.000 -3.991) 9.247 1.331 ( 21.974 0.000 -4.937) 22.522 1.730 ( -0.879 0.000 -0.698) 1.122 1.775 ( -1.199 0.000 -2.906) 3.143 2.020 ( 0.468 0.000 5.091) 5.113 2.060 ( 1.589 0.000 3.125) 3.506 2.282 ( -4.274 0.000 3.771) 5.700 2.311 ( -3.409 0.000 2.612) 4.294 3.237 ( 20.956 0.000 7.437) 22.236 3.529 ( -23.528 0.000 -0.000) 23.528 3.552 ( 21.728 0.000 -7.864) 23.107 3.567 ( -23.411 0.000 -1.945) 23.492 5.846 ( -6.276 0.000 12.764) 14.223 6.321 ( -11.665 0.000 -10.578) 15.747 12.263 ( 18.377 0.000 9.936) 20.891 12.445 ( 17.015 0.000 1.248) 17.060 14.284 ( -20.118 0.000 5.171) 20.772 14.468 ( -22.487 0.000 -3.254) 22.721 15.401 ( 18.207 0.000 -0.886) 18.229 15.575 ( 18.895 0.000 -9.036) 20.945 16.976 ( -12.496 0.000 -0.931) 12.531 17.035 ( -9.833 0.000 -3.965) 10.602 ======================= Grid point 489 (154/200) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -0.133 0.000 3.844) 3.846 1.144 ( -5.586 0.000 -1.012) 5.677 1.545 ( 17.456 0.000 5.147) 18.199 1.707 ( 13.660 0.000 -2.362) 13.863 1.725 ( 0.220 0.000 -1.417) 1.434 1.754 ( -1.099 0.000 -2.798) 3.006 2.072 ( 7.409 0.000 3.621) 8.247 2.136 ( 5.504 0.000 0.971) 5.589 2.239 ( 2.516 0.000 4.086) 4.799 2.261 ( 0.311 0.000 3.077) 3.093 3.038 ( -27.716 0.000 0.159) 27.716 3.075 ( -28.056 0.000 -1.790) 28.113 3.631 ( 19.472 0.000 7.332) 20.806 3.875 ( 10.681 0.000 -4.211) 11.482 5.763 ( -1.149 0.000 7.140) 7.232 6.074 ( -13.922 0.000 -7.772) 15.944 12.662 ( 23.083 0.000 7.976) 24.422 12.808 ( 20.224 0.000 0.946) 20.246 13.871 ( -22.429 0.000 5.930) 23.200 14.007 ( -25.298 0.000 -0.338) 25.301 15.771 ( 20.186 0.000 -1.433) 20.237 15.934 ( 17.753 0.000 -9.403) 20.090 16.710 ( -14.582 0.000 -0.448) 14.589 16.809 ( -13.832 0.000 -5.601) 14.923 ======================= Grid point 490 (155/200) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -2.479 0.000 1.529) 2.913 1.069 ( 2.479 0.000 1.529) 2.913 1.735 ( -0.831 0.000 -2.199) 2.351 1.735 ( 0.831 0.000 -2.199) 2.351 1.758 ( -5.283 0.000 4.840) 7.165 1.758 ( 5.283 0.000 4.840) 7.165 2.160 ( -1.325 0.000 2.071) 2.458 2.160 ( 1.325 0.000 2.071) 2.458 2.473 ( -5.149 0.000 -0.769) 5.206 2.473 ( 5.149 0.000 -0.769) 5.206 2.600 ( -5.377 0.000 0.664) 5.417 2.600 ( 5.377 0.000 0.664) 5.418 3.903 ( -7.756 0.000 2.972) 8.306 3.903 ( 7.756 0.000 2.972) 8.306 5.841 ( -9.405 0.000 -1.610) 9.542 5.841 ( 9.405 0.000 -1.610) 9.542 13.018 ( -7.188 0.000 3.725) 8.096 13.018 ( 7.188 0.000 3.725) 8.096 13.634 ( -6.778 0.000 3.785) 7.763 13.634 ( 6.778 0.000 3.785) 7.763 16.080 ( -7.908 0.000 -4.981) 9.346 16.080 ( 7.908 0.000 -4.981) 9.346 16.578 ( -6.160 0.000 -3.831) 7.254 16.578 ( 6.160 0.000 -3.831) 7.254 ======================= Grid point 495 (156/200) ======================= q-point: ( 0.00 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.000 -0.849 3.446) 3.549 0.787 ( 0.000 -1.971 -5.808) 6.133 1.148 ( 0.000 0.562 8.621) 8.639 1.482 ( 0.000 -2.888 -7.559) 8.092 1.804 ( 0.000 0.993 -0.204) 1.014 1.805 ( 0.000 0.059 -0.158) 0.169 2.055 ( 0.000 3.749 5.371) 6.550 2.112 ( 0.000 4.666 2.151) 5.138 2.383 ( 0.000 0.007 2.488) 2.488 2.394 ( 0.000 0.156 2.053) 2.059 3.020 ( 0.000 12.488 -1.589) 12.589 3.030 ( 0.000 18.697 -2.182) 18.824 4.013 ( 0.000 0.037 -0.153) 0.157 4.049 ( 0.000 -0.140 -2.004) 2.009 6.001 ( 0.000 0.292 14.666) 14.668 6.546 ( 0.000 -0.764 -12.192) 12.215 11.911 ( 0.000 0.780 11.214) 11.241 12.105 ( 0.000 -0.470 1.976) 2.031 14.719 ( 0.000 -0.398 4.625) 4.642 14.950 ( 0.000 -2.145 -4.884) 5.335 15.000 ( 0.000 -1.352 -4.334) 4.539 15.078 ( 0.000 -1.984 -6.355) 6.657 17.206 ( 0.000 0.058 -0.647) 0.650 17.231 ( 0.000 -0.064 -1.935) 1.936 ======================= Grid point 496 (157/200) ======================= q-point: ( 0.12 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 17.345 -0.437 2.835) 17.580 0.943 ( 15.082 -1.841 -4.976) 15.988 1.137 ( -0.836 1.491 7.739) 7.925 1.438 ( -4.507 -0.404 -6.639) 8.035 1.759 ( -3.072 0.198 0.029) 3.078 1.781 ( -2.667 -0.911 -1.070) 3.014 2.060 ( 0.479 3.974 5.193) 6.557 2.110 ( -0.302 4.641 2.346) 5.209 2.352 ( -3.137 -0.278 2.722) 4.162 2.364 ( -2.726 -0.143 2.311) 3.577 3.082 ( 11.494 15.562 3.644) 19.687 3.288 ( 19.801 14.357 -6.420) 25.287 3.884 ( -13.489 0.040 -0.169) 13.490 3.919 ( -13.527 -0.146 -1.980) 13.672 5.957 ( -4.505 0.292 14.229) 14.928 6.487 ( -6.276 -0.678 -11.858) 13.434 12.004 ( 9.784 0.770 10.828) 14.614 12.192 ( 9.183 -0.442 1.858) 9.379 14.586 ( -12.697 -0.851 4.326) 13.440 14.792 ( -14.116 -2.304 -5.399) 15.288 15.111 ( 11.406 -0.826 -1.477) 11.531 15.246 ( 13.780 -1.660 -7.522) 15.787 17.153 ( -6.088 -0.062 -1.180) 6.202 17.174 ( -5.658 -0.223 -2.117) 6.045 ======================= Grid point 497 (158/200) ======================= q-point: ( 0.25 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 3.991 1.244 4.847) 6.401 1.181 ( 16.772 1.770 4.474) 17.448 1.255 ( 7.315 -1.453 -4.273) 8.595 1.378 ( 7.217 3.364 -4.257) 9.029 1.716 ( -0.914 -0.884 -0.536) 1.380 1.742 ( -0.571 -2.526 -1.872) 3.196 2.070 ( 0.425 4.265 4.586) 6.277 2.107 ( 0.586 3.978 2.704) 4.846 2.280 ( -4.003 -0.129 3.641) 5.413 2.305 ( -3.298 -0.344 2.643) 4.240 3.393 ( 19.653 14.314 6.748) 25.232 3.530 ( -23.117 0.176 -0.083) 23.118 3.565 ( -23.376 -0.152 -1.966) 23.459 3.692 ( 21.232 13.197 -7.784) 26.183 5.848 ( -6.420 0.146 12.351) 13.921 6.317 ( -11.572 -0.502 -10.671) 15.749 12.271 ( 18.368 0.746 9.695) 20.783 12.442 ( 17.116 -0.332 1.546) 17.189 14.273 ( -20.214 -1.102 4.894) 20.827 14.445 ( -22.340 -2.125 -3.041) 22.646 15.397 ( 18.423 -0.364 -1.021) 18.455 15.560 ( 19.088 -1.399 -8.692) 21.021 16.972 ( -12.705 -0.310 -0.997) 12.748 17.028 ( -10.181 -0.741 -3.802) 10.893 ======================= Grid point 498 (159/200) ======================= q-point: ( 0.38 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.572 3.943 3.914) 5.585 1.193 ( -4.697 4.091 -0.884) 6.291 1.520 ( 11.575 -2.143 3.194) 12.197 1.592 ( 3.749 -5.442 -1.188) 6.714 1.756 ( 6.821 1.869 0.185) 7.075 1.861 ( 12.688 5.481 -4.093) 14.414 2.087 ( 3.967 1.662 4.326) 6.100 2.159 ( 3.977 2.079 0.992) 4.596 2.240 ( 2.169 0.168 4.002) 4.555 2.259 ( 0.565 -0.079 3.116) 3.168 3.036 ( -27.804 -0.109 -0.017) 27.805 3.071 ( -28.213 -0.378 -1.843) 28.275 3.775 ( 18.935 13.535 6.699) 24.220 4.012 ( 10.722 12.952 -4.558) 17.421 5.761 ( -1.383 -0.324 7.047) 7.189 6.071 ( -13.938 -0.429 -7.846) 16.000 12.670 ( 23.183 0.798 7.807) 24.475 12.809 ( 20.626 0.046 1.162) 20.658 13.856 ( -22.749 -1.390 5.729) 23.500 13.986 ( -25.342 -1.985 -0.250) 25.421 15.771 ( 20.482 0.068 -1.473) 20.535 15.926 ( 18.361 -0.781 -9.029) 20.476 16.700 ( -15.171 -0.931 -0.548) 15.209 16.794 ( -14.277 -1.451 -5.422) 15.341 ======================= Grid point 499 (160/200) ======================= q-point: (-0.50 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -2.572 4.683 1.674) 5.598 1.123 ( 2.572 4.683 1.674) 5.598 1.603 ( -0.989 -6.261 0.275) 6.345 1.603 ( 0.989 -6.261 0.275) 6.345 1.904 ( -5.169 7.551 2.974) 9.622 1.904 ( 5.169 7.551 2.974) 9.622 2.169 ( -1.498 1.050 1.741) 2.525 2.169 ( 1.498 1.050 1.741) 2.525 2.469 ( -5.250 -0.403 -0.944) 5.349 2.469 ( 5.250 -0.403 -0.944) 5.349 2.593 ( -4.830 -0.683 0.516) 4.905 2.593 ( 4.830 -0.683 0.516) 4.905 4.041 ( -7.617 13.112 2.451) 15.360 4.041 ( 7.617 13.112 2.451) 15.360 5.837 ( -9.452 -0.545 -1.670) 9.614 5.837 ( 9.452 -0.545 -1.670) 9.614 13.030 ( -7.112 1.187 3.692) 8.101 13.030 ( 7.112 1.187 3.692) 8.101 13.610 ( -6.766 -2.388 3.775) 8.107 13.610 ( 6.766 -2.388 3.775) 8.107 16.086 ( -7.843 0.626 -4.831) 9.233 16.086 ( 7.843 0.626 -4.831) 9.233 16.555 ( -6.184 -2.235 -3.757) 7.573 16.555 ( 6.184 -2.235 -3.757) 7.573 ======================= Grid point 504 (161/200) ======================= q-point: ( 0.00 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.000 0.277 2.164) 2.182 0.747 ( 0.000 -1.897 -5.438) 5.759 1.146 ( 0.000 -0.672 6.604) 6.638 1.402 ( 0.000 -4.800 -5.737) 7.480 1.815 ( 0.000 0.972 0.287) 1.013 1.827 ( 0.000 1.268 -0.352) 1.315 2.152 ( 0.000 5.233 5.247) 7.411 2.216 ( 0.000 4.881 1.790) 5.199 2.388 ( 0.000 0.429 2.546) 2.582 2.400 ( 0.000 0.406 2.049) 2.088 3.354 ( 0.000 19.203 2.027) 19.310 3.485 ( 0.000 23.780 -3.933) 24.103 4.015 ( 0.000 0.112 -0.406) 0.421 4.046 ( 0.000 -0.131 -2.136) 2.140 6.013 ( 0.000 1.036 11.924) 11.968 6.515 ( 0.000 -2.556 -12.355) 12.617 11.934 ( 0.000 1.465 10.396) 10.499 12.091 ( 0.000 -0.857 2.924) 3.047 14.709 ( 0.000 -0.419 3.638) 3.662 14.892 ( 0.000 -3.425 -3.908) 5.196 14.965 ( 0.000 -1.979 -4.348) 4.777 15.025 ( 0.000 -3.043 -6.034) 6.758 17.208 ( 0.000 0.138 -0.700) 0.713 17.229 ( 0.000 -0.129 -1.792) 1.797 ======================= Grid point 505 (162/200) ======================= q-point: ( 0.12 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 18.145 0.721 1.705) 18.240 0.908 ( 15.413 -1.475 -4.419) 16.102 1.150 ( 0.619 -0.214 6.305) 6.339 1.397 ( -0.333 -3.545 -5.459) 6.517 1.774 ( -3.638 1.281 0.214) 3.863 1.782 ( -4.373 1.022 -0.204) 4.495 2.156 ( 0.404 4.987 5.049) 7.108 2.210 ( -0.604 4.714 2.008) 5.159 2.353 ( -3.319 0.340 2.626) 4.246 2.364 ( -3.176 0.200 2.262) 3.904 3.462 ( 11.766 20.499 4.107) 23.990 3.668 ( 16.847 20.999 -5.588) 27.495 3.886 ( -13.384 0.187 -0.511) 13.395 3.917 ( -13.351 0.077 -2.279) 13.544 5.968 ( -4.639 0.935 11.750) 12.667 6.457 ( -6.053 -2.425 -11.978) 13.638 12.026 ( 9.750 1.442 10.041) 14.070 12.179 ( 9.272 -0.809 2.783) 9.715 14.564 ( -13.259 -1.147 3.359) 13.726 14.729 ( -14.134 -3.721 -4.379) 15.258 15.090 ( 12.286 -1.035 -1.901) 12.476 15.201 ( 14.123 -2.622 -6.865) 15.920 17.152 ( -6.338 -0.071 -1.198) 6.451 17.168 ( -6.172 -0.339 -1.935) 6.477 ======================= Grid point 506 (163/200) ======================= q-point: ( 0.25 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 8.374 1.939 2.917) 9.077 1.203 ( 16.213 -0.070 3.627) 16.614 1.231 ( 10.261 -0.629 -1.942) 10.462 1.424 ( 6.201 0.442 -4.456) 7.649 1.701 ( -2.553 -0.423 0.059) 2.588 1.716 ( -0.641 0.447 -0.471) 0.913 2.165 ( 0.405 4.651 4.339) 6.373 2.194 ( -0.837 4.162 2.568) 4.962 2.283 ( -3.503 0.571 3.212) 4.787 2.303 ( -3.078 0.149 2.633) 4.053 3.529 ( -23.418 0.189 -0.436) 23.423 3.557 ( -23.176 -0.283 -1.747) 23.244 3.769 ( 18.682 20.540 5.718) 28.347 4.041 ( 20.385 19.644 -7.592) 29.310 5.852 ( -7.156 0.294 10.736) 12.906 6.292 ( -11.363 -2.176 -10.719) 15.771 12.293 ( 18.342 1.392 9.005) 20.480 12.432 ( 17.385 -0.624 2.393) 17.560 14.245 ( -20.463 -1.513 4.096) 20.923 14.387 ( -21.989 -3.495 -2.407) 22.394 15.389 ( 18.977 -0.316 -1.469) 19.036 15.522 ( 19.556 -2.261 -7.738) 21.152 16.964 ( -13.198 -0.422 -1.182) 13.258 17.008 ( -11.099 -1.151 -3.374) 11.657 ======================= Grid point 507 (164/200) ======================= q-point: ( 0.38 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 2.326 3.232 3.979) 5.629 1.274 ( -1.877 3.212 -0.740) 3.793 1.465 ( 4.598 -2.860 1.599) 5.646 1.521 ( -0.278 -1.647 -0.701) 1.811 1.799 ( 15.299 2.332 2.013) 15.606 1.935 ( 22.321 1.794 -4.332) 22.808 2.144 ( -2.174 3.668 4.839) 6.450 2.210 ( 1.378 2.714 1.419) 3.358 2.251 ( 1.098 1.042 3.483) 3.798 2.262 ( 1.127 0.448 3.153) 3.378 3.035 ( -28.082 -0.014 -0.530) 28.088 3.062 ( -28.564 -0.521 -1.959) 28.636 4.132 ( 18.400 20.414 5.495) 28.027 4.360 ( 11.249 20.069 -5.504) 23.656 5.744 ( -2.592 -1.448 6.687) 7.317 6.047 ( -14.073 -2.175 -7.923) 16.295 12.694 ( 23.497 1.499 7.321) 24.656 12.809 ( 21.734 0.011 1.811) 21.809 13.820 ( -23.662 -2.018 5.110) 24.292 13.931 ( -25.506 -3.320 0.044) 25.722 15.775 ( 21.283 0.379 -1.676) 21.352 15.904 ( 19.938 -1.329 -7.971) 21.514 16.676 ( -16.662 -1.306 -0.879) 16.736 16.755 ( -15.506 -2.344 -4.919) 16.435 ======================= Grid point 508 (165/200) ======================= q-point: (-0.50 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -2.959 4.599 2.107) 5.861 1.224 ( 2.959 4.599 2.107) 5.861 1.496 ( -1.271 -4.275 -0.010) 4.460 1.496 ( 1.271 -4.275 -0.010) 4.460 2.043 ( -7.108 5.924 4.905) 10.473 2.043 ( 7.108 5.924 4.905) 10.473 2.205 ( -1.371 2.463 1.065) 3.013 2.205 ( 1.371 2.463 1.065) 3.013 2.459 ( -7.376 -0.520 -1.531) 7.551 2.459 ( 7.376 -0.520 -1.531) 7.551 2.575 ( -4.255 -1.051 0.006) 4.383 2.575 ( 4.255 -1.051 0.006) 4.383 4.395 ( -7.599 20.657 1.234) 22.045 4.395 ( 7.599 20.657 1.234) 22.045 5.809 ( -9.543 -2.520 -1.792) 10.032 5.809 ( 9.543 -2.520 -1.792) 10.032 13.067 ( -6.929 2.482 3.621) 8.203 13.067 ( 6.929 2.482 3.621) 8.203 13.541 ( -6.725 -4.299 3.741) 8.815 13.541 ( 6.725 -4.299 3.741) 8.815 16.107 ( -7.649 1.531 -4.445) 8.978 16.107 ( 7.649 1.531 -4.445) 8.978 16.491 ( -6.266 -3.931 -3.583) 8.220 16.491 ( 6.266 -3.931 -3.583) 8.220 ======================= Grid point 513 (166/200) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 0.000 1.550 0.405) 1.602 0.711 ( 0.000 -1.725 -4.643) 4.953 1.134 ( 0.000 -0.163 4.131) 4.134 1.300 ( 0.000 -5.037 -3.826) 6.325 1.840 ( 0.000 1.375 0.198) 1.389 1.852 ( 0.000 1.101 -0.397) 1.170 2.249 ( 0.000 4.102 4.898) 6.388 2.295 ( 0.000 2.799 2.433) 3.709 2.398 ( 0.000 0.550 2.544) 2.602 2.408 ( 0.000 0.355 2.120) 2.150 3.742 ( 0.000 17.803 4.785) 18.434 3.902 ( 0.000 15.052 -1.542) 15.131 4.019 ( 0.000 0.301 -0.795) 0.850 4.050 ( 0.000 1.249 -3.028) 3.275 6.054 ( 0.000 3.306 6.135) 6.969 6.436 ( 0.000 -5.320 -11.639) 12.797 11.969 ( 0.000 1.875 9.152) 9.342 12.071 ( 0.000 -1.198 4.323) 4.486 14.706 ( 0.000 0.145 2.211) 2.216 14.820 ( 0.000 -3.476 -2.595) 4.338 14.927 ( 0.000 -1.553 -4.409) 4.674 14.964 ( 0.000 -2.769 -5.559) 6.210 17.211 ( 0.000 0.220 -0.827) 0.856 17.226 ( 0.000 -0.195 -1.572) 1.584 ======================= Grid point 514 (167/200) ======================= q-point: ( 0.12 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 18.752 1.585 0.408) 18.824 0.883 ( 16.308 -1.066 -3.544) 16.723 1.143 ( 1.020 -0.100 4.118) 4.243 1.309 ( 1.276 -4.725 -3.779) 6.183 1.804 ( -3.759 1.478 0.284) 4.049 1.810 ( -4.130 1.409 0.026) 4.364 2.248 ( -0.113 3.831 4.793) 6.137 2.287 ( -0.856 2.717 2.598) 3.855 2.363 ( -3.228 0.553 2.505) 4.123 2.371 ( -3.335 0.386 2.253) 4.043 3.852 ( 5.694 13.437 4.364) 15.232 3.888 ( -12.338 0.843 -0.446) 12.375 3.914 ( -6.199 4.484 -0.578) 7.672 4.074 ( 13.351 15.170 -4.604) 20.726 6.006 ( -5.085 3.090 6.315) 8.676 6.381 ( -5.813 -5.213 -11.236) 13.683 12.060 ( 9.690 1.841 8.842) 13.246 12.159 ( 9.392 -1.143 4.148) 10.331 14.545 ( -13.845 -0.533 1.964) 13.994 14.651 ( -14.216 -3.774 -2.948) 15.001 15.074 ( 13.317 -0.458 -2.627) 13.582 15.146 ( 14.439 -2.613 -5.885) 15.810 17.151 ( -6.668 -0.005 -1.246) 6.784 17.161 ( -6.696 -0.329 -1.713) 6.919 ======================= Grid point 515 (168/200) ======================= q-point: ( 0.25 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 4.650 1.725 2.439) 5.527 1.195 ( 16.307 0.020 -0.454) 16.314 1.222 ( 15.041 -0.292 1.586) 15.127 1.393 ( 10.786 -2.976 -4.125) 11.925 1.715 ( -3.809 1.391 0.897) 4.153 1.734 ( -2.200 1.010 0.068) 2.422 2.246 ( -0.050 3.207 4.370) 5.421 2.262 ( -1.678 2.399 3.120) 4.278 2.301 ( -2.804 0.988 2.594) 3.946 2.311 ( -2.611 0.663 2.558) 3.715 3.533 ( -23.546 0.228 -0.913) 23.565 3.550 ( -23.462 -0.337 -1.770) 23.531 4.180 ( 19.243 18.874 5.347) 27.479 4.413 ( 20.387 15.240 -5.805) 26.107 5.870 ( -9.031 1.910 6.609) 11.353 6.220 ( -11.231 -5.071 -9.999) 15.870 12.326 ( 18.294 1.765 7.948) 20.024 12.416 ( 17.728 -0.945 3.654) 18.125 14.219 ( -20.774 -0.853 2.879) 20.990 14.312 ( -21.614 -3.608 -1.384) 21.957 15.387 ( 19.634 0.223 -2.291) 19.768 15.473 ( 20.038 -2.372 -6.385) 21.164 16.957 ( -13.648 -0.243 -1.463) 13.728 16.984 ( -12.249 -1.104 -2.824) 12.619 ======================= Grid point 516 (169/200) ======================= q-point: ( 0.38 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 3.815 1.644 3.417) 5.379 1.304 ( 2.644 -0.327 -0.742) 2.766 1.435 ( -0.528 0.174 2.249) 2.316 1.501 ( -3.008 -0.729 -0.659) 3.165 1.848 ( 19.786 2.379 1.998) 20.028 1.946 ( 24.829 -0.383 -2.594) 24.967 2.214 ( -2.611 2.919 4.586) 6.031 2.261 ( -0.298 2.234 1.970) 2.993 2.274 ( -0.643 0.698 3.293) 3.427 2.280 ( 2.113 1.376 2.560) 3.594 3.036 ( -28.427 0.126 -1.190) 28.452 3.052 ( -28.862 -0.425 -2.063) 28.939 4.551 ( 19.126 19.817 4.346) 27.882 4.763 ( 14.318 18.048 -6.036) 23.816 5.703 ( -6.743 -2.211 5.446) 8.945 5.972 ( -14.639 -5.443 -7.529) 17.338 12.729 ( 23.997 1.884 6.548) 24.945 12.807 ( 23.170 -0.312 2.868) 23.349 13.783 ( -24.908 -1.392 4.075) 25.277 13.860 ( -25.822 -3.484 0.616) 26.063 15.788 ( 22.312 0.891 -2.221) 22.440 15.874 ( 21.774 -1.589 -6.427) 22.759 16.653 ( -18.283 -0.851 -1.486) 18.363 16.705 ( -17.161 -2.360 -4.173) 17.818 ======================= Grid point 517 (170/200) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -3.740 2.847 2.371) 5.265 1.299 ( 3.740 2.847 2.371) 5.265 1.428 ( -2.930 -2.637 0.152) 3.945 1.428 ( 2.930 -2.637 0.152) 3.945 2.143 ( -6.904 4.140 5.896) 9.979 2.143 ( 6.904 4.140 5.896) 9.979 2.254 ( -0.426 1.730 2.129) 2.776 2.254 ( 0.426 1.730 2.129) 2.776 2.455 ( -11.288 0.420 -2.684) 11.610 2.455 ( 11.288 0.420 -2.684) 11.610 2.551 ( -5.959 -1.338 -0.955) 6.182 2.551 ( 5.959 -1.338 -0.955) 6.182 4.832 ( -8.066 21.467 -0.062) 22.932 4.832 ( 8.066 21.467 -0.062) 22.932 5.721 ( -9.543 -6.503 -1.834) 11.693 5.721 ( 9.543 -6.503 -1.834) 11.693 13.131 ( -6.737 3.822 3.563) 8.526 13.131 ( 6.737 3.822 3.563) 8.526 13.441 ( -6.658 -5.392 3.679) 9.324 13.441 ( 6.658 -5.392 3.679) 9.324 16.150 ( -7.348 2.710 -3.976) 8.784 16.150 ( 7.348 2.710 -3.976) 8.784 16.402 ( -6.426 -4.757 -3.425) 8.698 16.402 ( 6.426 -4.757 -3.425) 8.698 ======================= Grid point 522 (171/200) ======================= q-point: ( 0.00 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 0.000 2.033 -1.492) 2.522 0.674 ( 0.000 -1.905 -3.266) 3.781 1.149 ( 0.000 1.810 1.255) 2.202 1.207 ( 0.000 -3.867 -1.532) 4.159 1.863 ( 0.000 0.729 -0.006) 0.729 1.867 ( 0.000 0.318 -0.223) 0.388 2.311 ( 0.000 1.973 4.239) 4.676 2.327 ( 0.000 0.399 3.376) 3.399 2.408 ( 0.000 0.389 2.446) 2.477 2.412 ( 0.000 -0.008 2.270) 2.270 4.002 ( 0.000 3.406 2.249) 4.082 4.015 ( 0.000 0.351 0.040) 0.354 4.056 ( 0.000 6.966 1.497) 7.125 4.131 ( 0.000 2.053 0.074) 2.055 6.155 ( 0.000 6.589 -2.029) 6.895 6.303 ( 0.000 -7.439 -8.590) 11.363 12.007 ( 0.000 1.876 7.622) 7.850 12.043 ( 0.000 -1.570 5.957) 6.161 14.719 ( 0.000 1.247 0.572) 1.372 14.758 ( 0.000 -2.551 -1.074) 2.768 14.908 ( 0.000 -0.239 -4.631) 4.637 14.920 ( 0.000 -1.443 -5.044) 5.246 17.216 ( 0.000 0.263 -1.039) 1.072 17.222 ( 0.000 -0.249 -1.305) 1.328 ======================= Grid point 523 (172/200) ======================= q-point: ( 0.12 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 18.544 1.625 -0.868) 18.635 0.861 ( 17.568 -1.236 -2.254) 17.755 1.159 ( 1.120 1.892 1.231) 2.519 1.219 ( 1.443 -3.918 -1.595) 4.469 1.827 ( -3.729 0.718 0.280) 3.808 1.830 ( -3.801 0.474 0.174) 3.835 2.305 ( -0.622 1.778 4.246) 4.645 2.319 ( -0.928 0.439 3.479) 3.628 2.373 ( -3.120 0.387 2.399) 3.955 2.376 ( -3.154 0.074 2.290) 3.899 3.890 ( -13.238 0.267 -0.887) 13.271 3.895 ( -13.128 -0.186 -1.063) 13.172 4.171 ( 12.991 10.333 4.225) 17.128 4.259 ( 13.618 2.289 0.504) 13.818 6.103 ( -5.542 6.476 -1.685) 8.689 6.250 ( -5.682 -7.393 -8.210) 12.423 12.098 ( 9.609 1.833 7.362) 12.244 12.133 ( 9.510 -1.520 5.743) 11.213 14.548 ( -14.205 0.912 0.350) 14.239 14.584 ( -14.291 -2.618 -1.325) 14.589 15.075 ( 14.116 0.637 -3.609) 14.584 15.100 ( 14.488 -1.814 -4.743) 15.352 17.152 ( -6.936 0.114 -1.345) 7.067 17.155 ( -6.976 -0.239 -1.505) 7.141 ======================= Grid point 524 (173/200) ======================= q-point: ( 0.25 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 6.696 0.585 2.360) 7.124 1.191 ( 7.428 -0.812 1.185) 7.565 1.251 ( 20.045 3.071 -1.367) 20.325 1.323 ( 15.049 -3.709 -3.017) 15.790 1.741 ( -3.856 0.905 0.913) 4.065 1.748 ( -3.292 0.206 0.594) 3.351 2.290 ( -1.190 1.030 3.999) 4.297 2.293 ( -1.481 0.678 3.709) 4.051 2.318 ( -2.232 0.692 2.473) 3.402 2.324 ( -2.080 0.270 2.538) 3.292 3.538 ( -23.525 0.283 -1.330) 23.564 3.544 ( -23.506 -0.306 -1.621) 23.564 4.494 ( 20.233 11.185 3.712) 23.415 4.596 ( 20.967 1.890 -0.798) 21.067 5.947 ( -11.016 5.901 -0.760) 12.520 6.090 ( -11.346 -7.384 -7.155) 15.312 12.362 ( 18.204 1.724 6.619) 19.447 12.393 ( 18.023 -1.361 5.132) 18.789 14.216 ( -21.064 0.710 1.421) 21.124 14.249 ( -21.319 -2.485 -0.063) 21.463 15.400 ( 20.129 1.049 -3.464) 20.452 15.430 ( 20.275 -1.869 -4.884) 20.939 16.956 ( -13.715 0.184 -1.829) 13.838 16.965 ( -13.224 -0.706 -2.286) 13.438 ======================= Grid point 525 (174/200) ======================= q-point: ( 0.38 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 4.400 1.391 2.189) 5.108 1.280 ( 4.345 -1.539 0.629) 4.653 1.456 ( -2.616 1.424 1.484) 3.328 1.483 ( -3.332 -1.152 0.264) 3.535 1.893 ( 22.203 1.983 0.882) 22.309 1.927 ( 23.970 -1.371 -0.726) 24.020 2.260 ( -1.455 1.601 4.279) 4.795 2.279 ( -0.640 -0.310 3.730) 3.797 2.296 ( -0.187 1.029 2.035) 2.288 2.301 ( 0.687 0.488 2.193) 2.349 3.040 ( -28.734 0.212 -1.741) 28.788 3.045 ( -28.915 -0.283 -2.030) 28.988 4.893 ( 21.438 12.771 2.409) 25.069 5.004 ( 21.422 3.478 -2.704) 21.871 5.698 ( -15.013 3.221 0.547) 15.365 5.830 ( -16.123 -8.048 -5.489) 18.837 12.766 ( 24.423 1.699 5.489) 25.090 12.794 ( 24.234 -1.009 4.189) 24.615 13.771 ( -25.880 0.357 2.778) 26.031 13.799 ( -26.106 -2.333 1.540) 26.255 15.811 ( 23.076 1.357 -3.248) 23.343 15.841 ( 22.979 -1.599 -4.729) 23.515 16.646 ( -19.088 0.271 -2.330) 19.231 16.665 ( -18.603 -1.540 -3.275) 18.952 ======================= Grid point 526 (175/200) ======================= q-point: (-0.50 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -4.419 1.931 1.910) 5.187 1.346 ( 4.419 1.931 1.910) 5.187 1.383 ( -4.199 -1.896 0.944) 4.703 1.383 ( 4.199 -1.896 0.944) 4.703 2.215 ( -4.967 2.956 5.387) 7.901 2.215 ( 4.967 2.956 5.387) 7.901 2.259 ( -2.159 -1.202 4.228) 4.897 2.259 ( 2.159 -1.202 4.228) 4.897 2.480 ( -11.090 1.857 -3.147) 11.676 2.480 ( 11.090 1.857 -3.147) 11.676 2.519 ( -8.503 -1.796 -2.180) 8.960 2.519 ( 8.503 -1.796 -2.180) 8.960 5.234 ( -8.758 17.681 -1.053) 19.760 5.234 ( 8.758 17.681 -1.053) 19.760 5.535 ( -9.300 -12.003 -1.630) 15.272 5.535 ( 9.300 -12.003 -1.630) 15.272 13.221 ( -6.619 4.957 3.558) 9.003 13.221 ( 6.619 4.957 3.558) 9.003 13.328 ( -6.604 -5.569 3.607) 9.361 13.328 ( 6.604 -5.569 3.607) 9.361 16.217 ( -6.999 3.883 -3.594) 8.774 16.217 ( 6.999 3.883 -3.594) 8.774 16.305 ( -6.674 -4.676 -3.405) 8.832 16.305 ( 6.674 -4.676 -3.405) 8.832 ======================= Grid point 567 (176/200) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.000 0.000 -5.573) 5.573 0.693 ( 0.000 0.000 5.573) 5.573 1.330 ( 0.000 0.000 -9.493) 9.493 1.330 ( 0.000 0.000 9.493) 9.493 1.793 ( 0.000 0.000 -0.405) 0.405 1.793 ( 0.000 0.000 0.405) 0.405 2.080 ( 0.000 0.000 -0.967) 0.967 2.080 ( 0.000 0.000 0.967) 0.967 2.412 ( 0.000 0.000 -0.230) 0.230 2.412 ( 0.000 0.000 0.230) 0.230 2.835 ( 0.000 0.000 -1.722) 1.722 2.835 ( 0.000 0.000 1.722) 1.722 4.022 ( 0.000 0.000 -0.923) 0.923 4.022 ( 0.000 0.000 0.923) 0.923 6.293 ( 0.000 0.000 -13.873) 13.873 6.293 ( 0.000 0.000 13.873) 13.873 12.074 ( 0.000 0.000 -5.273) 5.273 12.074 ( 0.000 0.000 5.273) 5.273 14.838 ( 0.000 0.000 -6.532) 6.532 14.838 ( 0.000 0.000 6.532) 6.532 15.010 ( 0.000 0.000 -2.371) 2.371 15.010 ( 0.000 0.000 2.371) 2.371 17.205 ( 0.000 0.000 -0.667) 0.667 17.205 ( 0.000 0.000 0.667) 0.667 ======================= Grid point 569 (177/200) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 16.284 0.000 -4.848) 16.990 0.861 ( 16.284 0.000 4.848) 16.990 1.281 ( -4.623 0.000 -8.124) 9.347 1.281 ( -4.623 0.000 8.124) 9.347 1.767 ( -2.074 0.000 -0.974) 2.291 1.767 ( -2.074 0.000 0.974) 2.291 2.078 ( -0.137 0.000 -0.885) 0.896 2.078 ( -0.137 0.000 0.885) 0.896 2.388 ( -2.443 0.000 -0.254) 2.457 2.388 ( -2.443 0.000 0.254) 2.457 3.009 ( 16.888 0.000 -5.813) 17.861 3.009 ( 16.888 0.000 5.813) 17.861 3.892 ( -13.489 0.000 -0.905) 13.519 3.892 ( -13.489 0.000 0.905) 13.519 6.239 ( -5.557 0.000 -13.469) 14.570 6.239 ( -5.557 0.000 13.469) 14.570 12.161 ( 9.194 0.000 -5.121) 10.524 12.161 ( 9.194 0.000 5.121) 10.524 14.698 ( -12.725 0.000 -5.659) 13.926 14.698 ( -12.725 0.000 5.659) 13.926 15.146 ( 12.234 0.000 -3.769) 12.802 15.146 ( 12.234 0.000 3.769) 12.802 17.147 ( -6.063 0.000 -0.596) 6.092 17.147 ( -6.063 0.000 0.596) 6.092 ======================= Grid point 571 (178/200) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -4.966 0.000 -5.193) 7.185 1.185 ( -4.966 0.000 5.193) 7.185 1.236 ( 22.300 0.000 -4.354) 22.721 1.236 ( 22.300 0.000 4.354) 22.721 1.734 ( -1.307 0.000 -1.145) 1.737 1.734 ( -1.307 0.000 1.145) 1.737 2.082 ( 0.819 0.000 -1.021) 1.309 2.082 ( 0.819 0.000 1.021) 1.309 2.329 ( -3.458 0.000 -0.767) 3.542 2.329 ( -3.458 0.000 0.767) 3.542 3.392 ( 22.068 0.000 -7.988) 23.469 3.392 ( 22.068 0.000 7.988) 23.469 3.538 ( -23.436 0.000 -0.933) 23.454 3.538 ( -23.436 0.000 0.933) 23.454 6.095 ( -9.425 0.000 -11.911) 15.188 6.095 ( -9.425 0.000 11.911) 15.188 12.411 ( 17.172 0.000 -4.643) 17.789 12.411 ( 17.172 0.000 4.643) 17.789 14.385 ( -20.295 0.000 -4.753) 20.844 14.385 ( -20.295 0.000 4.753) 20.844 15.438 ( 18.255 0.000 -4.468) 18.794 15.438 ( 18.255 0.000 4.468) 18.794 16.981 ( -11.546 0.000 -1.480) 11.641 16.981 ( -11.546 0.000 1.480) 11.641 ======================= Grid point 573 (179/200) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -2.731 0.000 -2.384) 3.625 1.111 ( -2.731 0.000 2.384) 3.625 1.638 ( 17.960 0.000 -4.183) 18.441 1.638 ( 17.960 0.000 4.183) 18.441 1.717 ( -0.550 0.000 -0.741) 0.923 1.717 ( -0.550 0.000 0.741) 0.923 2.130 ( 4.735 0.000 -1.720) 5.038 2.130 ( 4.736 0.000 1.720) 5.038 2.286 ( 0.893 0.000 -0.562) 1.055 2.286 ( 0.893 0.000 0.562) 1.055 3.049 ( -27.652 0.000 -0.905) 27.667 3.049 ( -27.652 0.000 0.905) 27.667 3.769 ( 16.228 0.000 -6.266) 17.396 3.769 ( 16.228 0.000 6.266) 17.396 5.915 ( -8.558 0.000 -7.896) 11.644 5.915 ( -8.558 0.000 7.896) 11.644 12.780 ( 20.933 0.000 -3.710) 21.259 12.780 ( 20.933 0.000 3.710) 21.259 13.967 ( -22.863 0.000 -3.537) 23.135 13.967 ( -22.863 0.000 3.537) 23.135 15.797 ( 18.784 0.000 -4.120) 19.231 15.797 ( 18.784 0.000 4.120) 19.231 16.729 ( -14.414 0.000 -2.441) 14.619 16.729 ( -14.414 0.000 2.441) 14.619 ======================= Grid point 575 (180/200) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 0.000 0.000 0.000) 0.000 1.085 ( 0.000 0.000 0.000) 0.000 1.712 ( 0.000 0.000 0.000) 0.000 1.712 ( 0.000 0.000 0.000) 0.000 1.809 ( 0.000 0.000 0.000) 0.000 1.809 ( -0.000 0.000 0.000) 0.000 2.177 ( -0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.466 ( -0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.609 ( -0.000 0.000 0.000) 0.000 2.609 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 5.825 ( 0.000 0.000 0.000) 0.000 5.825 ( -0.000 0.000 0.000) 0.000 13.056 ( 0.000 0.000 0.000) 0.000 13.056 ( 0.000 0.000 0.000) 0.000 13.673 ( -0.000 0.000 0.000) 0.000 13.673 ( -0.000 0.000 0.000) 0.000 16.029 ( 0.000 0.000 0.000) 0.000 16.029 ( 0.000 0.000 0.000) 0.000 16.540 ( -0.000 0.000 0.000) 0.000 16.540 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 585 (181/200) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 0.000 -1.577 -5.287) 5.517 0.673 ( 0.000 -1.577 5.287) 5.517 1.320 ( 0.000 -1.179 -8.462) 8.544 1.320 ( 0.000 -1.179 8.462) 8.544 1.802 ( 0.000 0.710 -0.059) 0.712 1.802 ( 0.000 0.710 0.059) 0.712 2.122 ( 0.000 3.968 -1.339) 4.188 2.122 ( 0.000 3.968 1.339) 4.188 2.411 ( 0.000 0.087 -0.314) 0.326 2.411 ( 0.000 0.087 0.314) 0.326 3.006 ( 0.000 15.773 -0.243) 15.775 3.006 ( 0.000 15.773 0.243) 15.775 4.020 ( 0.000 -0.109 -0.870) 0.877 4.020 ( 0.000 -0.109 0.870) 0.877 6.286 ( 0.000 -0.694 -13.670) 13.688 6.286 ( 0.000 -0.694 13.670) 13.688 12.076 ( 0.000 0.183 -4.948) 4.952 12.076 ( 0.000 0.183 4.948) 4.952 14.826 ( 0.000 -1.167 -6.102) 6.213 14.826 ( 0.000 -1.167 6.102) 6.213 14.991 ( 0.000 -1.725 -2.222) 2.813 14.991 ( 0.000 -1.725 2.222) 2.813 17.205 ( 0.000 0.015 -0.637) 0.637 17.205 ( 0.000 0.015 0.637) 0.637 ======================= Grid point 587 (182/200) ======================= q-point: ( 0.12 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 16.392 -1.237 -4.464) 17.034 0.845 ( 16.392 -1.237 4.464) 17.034 1.294 ( -2.579 0.455 -7.622) 8.059 1.294 ( -2.579 0.455 7.622) 8.059 1.764 ( -3.183 0.032 -0.559) 3.232 1.764 ( -3.183 0.032 0.559) 3.232 2.124 ( 0.079 4.067 -1.136) 4.223 2.124 ( 0.079 4.067 1.136) 4.223 2.383 ( -2.659 -0.243 -0.337) 2.691 2.383 ( -2.659 -0.243 0.337) 2.691 3.171 ( 16.074 15.000 -5.207) 22.594 3.171 ( 16.074 15.000 5.207) 22.594 3.891 ( -13.504 -0.122 -0.850) 13.532 3.891 ( -13.504 -0.122 0.850) 13.532 6.234 ( -5.461 -0.601 -13.280) 14.372 6.234 ( -5.461 -0.601 13.280) 14.372 12.163 ( 9.206 0.193 -4.807) 10.387 12.163 ( 9.206 0.193 4.807) 10.387 14.682 ( -12.862 -1.569 -5.279) 13.991 14.682 ( -12.862 -1.569 5.279) 13.991 15.133 ( 12.506 -1.203 -3.544) 13.054 15.133 ( 12.506 -1.203 3.544) 13.054 17.146 ( -6.204 -0.111 -0.552) 6.229 17.146 ( -6.204 -0.111 0.552) 6.229 ======================= Grid point 589 (183/200) ======================= q-point: ( 0.25 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 8.261 -0.611 -4.123) 9.253 1.171 ( 8.261 -0.611 4.123) 9.253 1.282 ( 10.222 3.021 -5.183) 11.853 1.282 ( 10.222 3.021 5.183) 11.853 1.716 ( -1.275 -1.254 -0.621) 1.893 1.716 ( -1.275 -1.254 0.621) 1.893 2.126 ( 0.378 3.882 -0.913) 4.005 2.126 ( 0.378 3.882 0.913) 4.006 2.324 ( -3.272 -0.293 -0.715) 3.362 2.324 ( -3.272 -0.293 0.715) 3.362 3.529 ( -3.821 5.740 -4.141) 8.043 3.529 ( -3.821 5.740 4.141) 8.043 3.545 ( 1.636 7.733 -4.265) 8.982 3.545 ( 1.636 7.733 4.265) 8.982 6.091 ( -9.352 -0.440 -11.780) 15.047 6.091 ( -9.352 -0.440 11.780) 15.047 12.414 ( 17.218 0.238 -4.364) 17.764 12.414 ( 17.218 0.238 4.364) 17.764 14.367 ( -20.292 -1.649 -4.486) 20.848 14.367 ( -20.292 -1.649 4.486) 20.848 15.429 ( 18.499 -0.783 -4.191) 18.984 15.429 ( 18.499 -0.783 4.191) 18.984 16.976 ( -11.825 -0.481 -1.369) 11.913 16.976 ( -11.825 -0.481 1.369) 11.913 ======================= Grid point 591 (184/200) ======================= q-point: ( 0.38 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -1.862 4.100 -2.452) 5.127 1.160 ( -1.862 4.100 2.452) 5.127 1.565 ( 7.190 -4.323 -1.580) 8.537 1.565 ( 7.190 -4.323 1.580) 8.537 1.787 ( 11.947 4.104 -2.863) 12.953 1.787 ( 11.947 4.104 2.863) 12.953 2.152 ( 2.743 2.129 -1.819) 3.919 2.152 ( 2.743 2.129 1.819) 3.919 2.285 ( 0.906 0.012 -0.498) 1.034 2.285 ( 0.906 0.012 0.498) 1.034 3.045 ( -27.818 -0.362 -0.838) 27.833 3.045 ( -27.818 -0.362 0.838) 27.833 3.904 ( 15.914 12.797 -6.053) 21.299 3.904 ( 15.914 12.797 6.053) 21.299 5.912 ( -8.625 -0.461 -7.875) 11.688 5.912 ( -8.625 -0.461 7.875) 11.688 12.785 ( 21.169 0.448 -3.521) 21.465 12.785 ( 21.169 0.448 3.521) 21.465 13.949 ( -23.041 -1.749 -3.388) 23.354 13.949 ( -23.041 -1.749 3.388) 23.354 15.795 ( 19.254 -0.193 -3.902) 19.647 15.795 ( 19.254 -0.193 3.902) 19.647 16.717 ( -14.928 -1.156 -2.314) 15.151 16.717 ( -14.928 -1.156 2.314) 15.151 ======================= Grid point 593 (185/200) ======================= q-point: (-0.50 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.000 4.842 -0.000) 4.842 1.141 ( 0.000 4.842 -0.000) 4.842 1.602 ( -0.000 -6.254 0.000) 6.254 1.602 ( 0.000 -6.254 0.000) 6.254 1.939 ( 0.000 8.260 0.000) 8.260 1.939 ( -0.000 8.260 0.000) 8.260 2.182 ( -0.000 0.579 0.000) 0.579 2.182 ( 0.000 0.579 0.000) 0.579 2.460 ( -0.000 -0.559 0.000) 0.559 2.460 ( 0.000 -0.559 0.000) 0.559 2.600 ( -0.000 -0.833 0.000) 0.833 2.600 ( 0.000 -0.833 0.000) 0.833 4.066 ( -0.000 12.623 0.000) 12.623 4.066 ( 0.000 12.623 0.000) 12.623 5.820 ( 0.000 -0.601 0.000) 0.601 5.820 ( -0.000 -0.601 0.000) 0.601 13.067 ( -0.000 1.157 0.000) 1.157 13.067 ( 0.000 1.157 0.000) 1.157 13.648 ( -0.000 -2.402 0.000) 2.402 13.648 ( 0.000 -2.402 0.000) 2.402 16.037 ( 0.000 0.778 0.000) 0.778 16.037 ( 0.000 0.778 0.000) 0.778 16.518 ( -0.000 -2.170 0.000) 2.170 16.518 ( 0.000 -2.170 0.000) 2.170 ======================= Grid point 603 (186/200) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 0.000 -1.079 -4.479) 4.607 0.644 ( 0.000 -1.079 4.479) 4.607 1.278 ( 0.000 -2.832 -6.500) 7.090 1.278 ( 0.000 -2.832 6.500) 7.090 1.820 ( 0.000 1.104 -0.306) 1.145 1.820 ( 0.000 1.104 0.306) 1.145 2.220 ( 0.000 5.071 -1.530) 5.297 2.220 ( 0.000 5.071 1.530) 5.297 2.417 ( 0.000 0.432 -0.342) 0.551 2.417 ( 0.000 0.432 0.342) 0.551 3.410 ( 0.000 22.291 -3.408) 22.550 3.410 ( 0.000 22.291 3.408) 22.550 4.018 ( 0.000 -0.152 -0.726) 0.742 4.018 ( 0.000 -0.152 0.726) 0.742 6.262 ( 0.000 -1.758 -12.693) 12.814 6.262 ( 0.000 -1.758 12.693) 12.814 12.081 ( 0.000 0.348 -4.019) 4.034 12.081 ( 0.000 0.348 4.019) 4.034 14.795 ( 0.000 -1.817 -4.882) 5.209 14.795 ( 0.000 -1.817 4.882) 5.209 14.946 ( 0.000 -2.551 -1.778) 3.109 14.946 ( 0.000 -2.551 1.778) 3.109 17.205 ( 0.000 0.029 -0.540) 0.541 17.205 ( 0.000 0.029 0.540) 0.541 ======================= Grid point 605 (187/200) ======================= q-point: ( 0.12 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 17.088 -0.512 -3.518) 17.454 0.826 ( 17.088 -0.512 3.518) 17.454 1.278 ( 0.153 -1.969 -6.300) 6.602 1.278 ( 0.153 -1.969 6.300) 6.602 1.778 ( -3.972 1.292 -0.169) 4.181 1.778 ( -3.972 1.292 0.169) 4.181 2.220 ( -0.097 4.871 -1.267) 5.034 2.220 ( -0.097 4.871 1.267) 5.034 2.383 ( -3.066 0.225 -0.334) 3.093 2.383 ( -3.066 0.225 0.334) 3.093 3.557 ( 14.533 21.464 -5.262) 26.450 3.557 ( 14.533 21.464 5.262) 26.450 3.888 ( -13.534 -0.166 -0.706) 13.554 3.888 ( -13.534 -0.166 0.706) 13.554 6.212 ( -5.255 -1.648 -12.365) 13.536 6.212 ( -5.255 -1.648 12.365) 13.536 12.168 ( 9.237 0.364 -3.906) 10.036 12.168 ( 9.237 0.364 3.906) 10.036 14.640 ( -13.198 -2.430 -4.225) 14.070 14.640 ( -13.198 -2.430 4.225) 14.070 15.102 ( 13.167 -1.768 -2.893) 13.597 15.102 ( 13.167 -1.768 2.893) 13.597 17.143 ( -6.556 -0.160 -0.436) 6.572 17.143 ( -6.556 -0.160 0.436) 6.572 ======================= Grid point 607 (188/200) ======================= q-point: ( 0.25 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 12.979 0.222 -2.551) 13.229 1.167 ( 12.979 0.222 2.551) 13.229 1.320 ( 8.556 0.371 -5.658) 10.264 1.320 ( 8.556 0.371 5.658) 10.264 1.706 ( -2.099 0.526 -0.430) 2.206 1.706 ( -2.099 0.526 0.430) 2.206 2.215 ( -0.317 4.462 -0.657) 4.521 2.215 ( -0.317 4.462 0.657) 4.521 2.323 ( -2.952 0.199 -0.584) 3.016 2.323 ( -2.952 0.199 0.584) 3.016 3.532 ( -23.592 -0.208 -0.730) 23.605 3.532 ( -23.592 -0.208 0.730) 23.605 3.896 ( 19.954 20.154 -6.849) 29.176 3.896 ( 19.954 20.154 6.849) 29.176 6.072 ( -9.292 -1.541 -11.110) 14.565 6.072 ( -9.292 -1.541 11.110) 14.565 12.421 ( 17.345 0.438 -3.563) 17.712 12.421 ( 17.345 0.438 3.563) 17.712 14.323 ( -20.304 -2.561 -3.698) 20.796 14.323 ( -20.304 -2.561 3.698) 20.796 15.409 ( 19.111 -1.147 -3.399) 19.445 15.409 ( 19.111 -1.147 3.399) 19.445 16.963 ( -12.529 -0.720 -1.071) 12.595 16.963 ( -12.529 -0.720 1.071) 12.595 ======================= Grid point 609 (189/200) ======================= q-point: ( 0.38 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 0.731 3.126 -2.581) 4.119 1.240 ( 0.731 3.126 2.581) 4.119 1.497 ( 1.695 -2.193 -1.555) 3.178 1.497 ( 1.695 -2.193 1.555) 3.178 1.855 ( 19.486 2.522 -3.473) 19.953 1.855 ( 19.486 2.522 3.473) 19.953 2.210 ( -0.301 3.301 -1.617) 3.688 2.210 ( -0.301 3.301 1.617) 3.688 2.291 ( 0.701 0.569 -0.323) 0.959 2.291 ( 0.701 0.569 0.323) 0.959 3.036 ( -28.257 -0.465 -0.632) 28.268 3.036 ( -28.257 -0.465 0.632) 28.268 4.246 ( 15.621 19.687 -5.759) 25.783 4.246 ( 15.621 19.687 5.759) 25.783 5.889 ( -9.059 -1.959 -7.687) 12.041 5.889 ( -9.059 -1.959 7.687) 12.041 12.798 ( 21.860 0.817 -2.955) 22.074 12.798 ( 21.860 0.817 2.955) 22.074 13.901 ( -23.588 -2.783 -2.906) 23.929 13.901 ( -23.588 -2.783 2.906) 23.929 15.791 ( 20.513 -0.219 -3.247) 20.769 15.791 ( 20.513 -0.219 3.247) 20.769 16.686 ( -16.303 -1.784 -1.931) 16.514 16.686 ( -16.303 -1.784 1.931) 16.514 ======================= Grid point 611 (190/200) ======================= q-point: (-0.50 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 0.000 4.863 -0.000) 4.863 1.246 ( 0.000 4.863 -0.000) 4.863 1.494 ( -0.000 -4.311 0.000) 4.311 1.494 ( 0.000 -4.311 0.000) 4.311 2.103 ( 0.000 7.590 0.000) 7.590 2.103 ( 0.000 7.590 0.000) 7.590 2.203 ( -0.000 1.511 0.000) 1.511 2.203 ( -0.000 1.511 0.000) 1.511 2.445 ( -0.000 -0.889 0.000) 0.889 2.445 ( 0.000 -0.889 0.000) 0.889 2.577 ( -0.000 -1.436 0.000) 1.436 2.577 ( 0.000 -1.436 0.000) 1.436 4.408 ( -0.000 19.975 0.000) 19.975 4.408 ( 0.000 19.975 0.000) 19.975 5.791 ( -0.000 -2.576 0.000) 2.576 5.791 ( 0.000 -2.576 0.000) 2.576 13.104 ( -0.000 2.445 0.000) 2.445 13.104 ( 0.000 2.445 0.000) 2.445 13.579 ( -0.000 -4.329 0.000) 4.329 13.579 ( 0.000 -4.329 0.000) 4.329 16.062 ( -0.000 1.773 0.000) 1.773 16.062 ( 0.000 1.773 0.000) 1.773 16.456 ( -0.000 -3.845 -0.000) 3.845 16.456 ( 0.000 -3.845 0.000) 3.845 ======================= Grid point 621 (191/200) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 0.000 -0.297 -3.035) 3.050 0.630 ( 0.000 -0.297 3.035) 3.050 1.218 ( 0.000 -2.774 -4.216) 5.047 1.218 ( 0.000 -2.774 4.216) 5.047 1.845 ( 0.000 1.230 -0.288) 1.263 1.845 ( 0.000 1.230 0.288) 1.263 2.310 ( 0.000 3.545 -1.104) 3.713 2.310 ( 0.000 3.545 1.104) 3.713 2.426 ( 0.000 0.459 -0.281) 0.538 2.426 ( 0.000 0.459 0.281) 0.538 3.839 ( 0.000 18.553 -4.477) 19.085 3.839 ( 0.000 18.553 4.477) 19.085 4.015 ( 0.000 -0.106 -0.571) 0.581 4.015 ( 0.000 -0.106 0.571) 0.581 6.217 ( 0.000 -2.498 -9.848) 10.160 6.217 ( 0.000 -2.498 9.848) 10.160 12.089 ( 0.000 0.380 -2.610) 2.637 12.089 ( 0.000 0.380 2.610) 2.638 14.758 ( 0.000 -1.642 -3.087) 3.496 14.758 ( 0.000 -1.642 3.087) 3.496 14.897 ( 0.000 -2.135 -1.101) 2.402 14.897 ( 0.000 -2.135 1.101) 2.402 17.206 ( 0.000 0.032 -0.368) 0.369 17.206 ( 0.000 0.032 0.368) 0.369 ======================= Grid point 623 (192/200) ======================= q-point: ( 0.12 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 18.062 0.223 -2.205) 18.197 0.824 ( 18.062 0.223 2.205) 18.197 1.227 ( 1.143 -2.603 -4.262) 5.123 1.227 ( 1.143 -2.603 4.262) 5.123 1.808 ( -3.704 1.505 -0.165) 4.002 1.808 ( -3.704 1.505 0.165) 4.002 2.306 ( -0.421 3.408 -0.920) 3.555 2.306 ( -0.421 3.408 0.920) 3.555 2.390 ( -3.243 0.411 -0.239) 3.278 2.390 ( -3.243 0.411 0.240) 3.278 3.884 ( -13.486 -0.086 -0.310) 13.490 3.884 ( -13.486 -0.086 0.310) 13.490 3.974 ( 13.372 18.120 -5.150) 23.101 3.974 ( 13.372 18.120 5.150) 23.101 6.168 ( -5.144 -2.471 -9.662) 11.221 6.168 ( -5.144 -2.471 9.662) 11.221 12.176 ( 9.274 0.393 -2.539) 9.623 12.176 ( 9.274 0.393 2.539) 9.623 14.591 ( -13.562 -2.157 -2.703) 13.996 14.591 ( -13.562 -2.157 2.703) 13.996 15.068 ( 13.873 -1.483 -1.888) 14.079 15.068 ( 13.873 -1.483 1.888) 14.079 17.140 ( -6.949 -0.130 -0.276) 6.956 17.140 ( -6.949 -0.130 0.276) 6.956 ======================= Grid point 625 (193/200) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 12.379 1.004 -0.697) 12.439 1.179 ( 12.379 1.004 0.697) 12.439 1.301 ( 11.897 -1.867 -4.810) 12.968 1.301 ( 11.897 -1.867 4.810) 12.968 1.729 ( -3.085 1.426 -0.510) 3.437 1.729 ( -3.085 1.426 0.510) 3.437 2.294 ( -0.894 3.073 -0.244) 3.210 2.294 ( -0.894 3.073 0.244) 3.210 2.331 ( -2.511 0.562 -0.434) 2.610 2.331 ( -2.511 0.562 0.434) 2.610 3.528 ( -23.691 -0.150 -0.449) 23.696 3.528 ( -23.691 -0.150 0.449) 23.696 4.294 ( 19.394 17.755 -5.958) 26.960 4.294 ( 19.394 17.755 5.958) 26.960 6.028 ( -9.649 -2.703 -8.956) 13.439 6.028 ( -9.649 -2.703 8.956) 13.439 12.430 ( 17.507 0.465 -2.332) 17.667 12.430 ( 17.507 0.465 2.332) 17.667 14.272 ( -20.352 -2.285 -2.444) 20.625 14.272 ( -20.352 -2.285 2.444) 20.625 15.387 ( 19.795 -0.959 -2.202) 19.941 15.387 ( 19.795 -0.959 2.202) 19.941 16.949 ( -13.326 -0.616 -0.665) 13.357 16.949 ( -13.326 -0.616 0.665) 13.357 ======================= Grid point 627 (194/200) ======================= q-point: ( 0.38 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 3.459 0.642 -2.051) 4.072 1.276 ( 3.459 0.642 2.051) 4.072 1.476 ( -1.397 -0.152 -1.768) 2.259 1.476 ( -1.397 -0.152 1.768) 2.259 1.893 ( 22.724 1.281 -2.502) 22.898 1.893 ( 22.724 1.281 2.502) 22.898 2.272 ( -1.243 2.597 -1.083) 3.076 2.272 ( -1.243 2.597 1.083) 3.076 2.307 ( 0.168 0.945 -0.089) 0.964 2.307 ( 0.168 0.945 0.089) 0.964 3.028 ( -28.768 -0.336 -0.359) 28.773 3.028 ( -28.768 -0.336 0.359) 28.773 4.649 ( 16.733 18.763 -5.351) 25.704 4.649 ( 16.733 18.763 5.351) 25.704 5.827 ( -10.713 -4.192 -6.807) 13.367 5.827 ( -10.713 -4.192 6.807) 13.367 12.816 ( 22.850 0.872 -2.012) 22.955 12.816 ( 22.850 0.872 2.012) 22.955 13.844 ( -24.427 -2.568 -2.021) 24.644 13.844 ( -24.427 -2.568 2.021) 24.644 15.787 ( 22.079 -0.116 -2.170) 22.186 15.787 ( 22.079 -0.116 2.170) 22.186 16.650 ( -18.007 -1.584 -1.299) 18.123 16.650 ( -18.007 -1.584 1.299) 18.123 ======================= Grid point 629 (195/200) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -0.000 2.842 -0.000) 2.842 1.325 ( 0.000 2.842 -0.000) 2.842 1.427 ( -0.000 -2.381 0.000) 2.381 1.427 ( 0.000 -2.381 0.000) 2.381 2.235 ( 0.000 5.201 -0.000) 5.201 2.235 ( 0.000 5.201 0.000) 5.201 2.241 ( -0.000 2.080 -0.000) 2.080 2.241 ( -0.000 2.080 0.000) 2.080 2.429 ( -0.000 -0.401 0.000) 0.401 2.429 ( 0.000 -0.401 0.000) 0.401 2.542 ( -0.000 -2.011 0.000) 2.011 2.542 ( 0.000 -2.011 -0.000) 2.011 4.831 ( -0.000 20.865 0.000) 20.865 4.831 ( 0.000 20.865 0.000) 20.865 5.702 ( -0.000 -6.473 0.000) 6.473 5.702 ( 0.000 -6.473 0.000) 6.473 13.167 ( -0.000 3.806 0.000) 3.806 13.167 ( 0.000 3.806 0.000) 3.806 13.478 ( -0.000 -5.435 0.000) 5.435 13.478 ( 0.000 -5.435 0.000) 5.435 16.110 ( -0.000 2.951 0.000) 2.951 16.110 ( 0.000 2.951 0.000) 2.951 16.368 ( -0.000 -4.715 -0.000) 4.715 16.368 ( 0.000 -4.715 0.000) 4.715 ======================= Grid point 639 (196/200) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 0.000 -0.004 -1.078) 1.078 0.628 ( 0.000 -0.004 1.078) 1.078 1.177 ( 0.000 -1.122 -1.487) 1.863 1.177 ( 0.000 -1.122 1.487) 1.863 1.864 ( 0.000 0.529 -0.104) 0.539 1.864 ( 0.000 0.529 0.104) 0.539 2.359 ( 0.000 1.231 -0.385) 1.290 2.359 ( 0.000 1.231 0.385) 1.290 2.433 ( 0.000 0.190 -0.115) 0.222 2.433 ( 0.000 0.190 0.115) 0.222 4.013 ( 0.000 -0.025 -0.062) 0.066 4.013 ( 0.000 -0.025 0.062) 0.066 4.111 ( 0.000 7.236 -2.321) 7.600 4.111 ( 0.000 7.236 2.321) 7.600 6.174 ( 0.000 -1.337 -3.919) 4.141 6.174 ( 0.000 -1.337 3.919) 4.141 12.095 ( 0.000 0.170 -0.903) 0.919 12.095 ( 0.000 0.170 0.903) 0.919 14.734 ( 0.000 -0.663 -1.041) 1.234 14.734 ( 0.000 -0.663 1.041) 1.234 14.866 ( 0.000 -0.811 -0.359) 0.887 14.866 ( 0.000 -0.811 0.359) 0.887 17.206 ( 0.000 0.014 -0.131) 0.132 17.206 ( 0.000 0.014 0.131) 0.132 ======================= Grid point 641 (197/200) ======================= q-point: ( 0.12 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 18.872 0.229 -0.748) 18.888 0.830 ( 18.872 0.229 0.748) 18.888 1.187 ( 1.149 -1.145 -1.546) 2.241 1.187 ( 1.149 -1.145 1.546) 2.241 1.831 ( -3.439 0.621 -0.072) 3.496 1.831 ( -3.439 0.621 0.072) 3.496 2.353 ( -0.602 1.188 -0.316) 1.369 2.353 ( -0.602 1.188 0.316) 1.369 2.397 ( -3.249 0.188 -0.106) 3.256 2.397 ( -3.249 0.188 0.106) 3.256 3.882 ( -13.561 -0.044 -0.135) 13.561 3.882 ( -13.561 -0.044 0.135) 13.561 4.241 ( 13.108 7.181 -2.386) 15.136 4.241 ( 13.108 7.181 2.386) 15.136 6.125 ( -5.221 -1.366 -3.880) 6.647 6.125 ( -5.221 -1.366 3.880) 6.647 12.183 ( 9.298 0.175 -0.880) 9.341 12.183 ( 9.298 0.175 0.880) 9.341 14.559 ( -13.790 -0.856 -0.927) 13.848 14.559 ( -13.790 -0.856 0.927) 13.848 15.046 ( 14.309 -0.568 -0.655) 14.335 15.046 ( 14.309 -0.568 0.655) 14.335 17.138 ( -7.201 -0.049 -0.094) 7.202 17.138 ( -7.201 -0.049 0.094) 7.202 ======================= Grid point 643 (198/200) ======================= q-point: ( 0.25 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 7.287 1.389 -0.999) 7.486 1.206 ( 7.287 1.389 0.999) 7.486 1.260 ( 18.254 -1.856 -2.831) 18.566 1.260 ( 18.254 -1.856 2.831) 18.566 1.752 ( -3.512 0.625 -0.190) 3.573 1.752 ( -3.512 0.625 0.190) 3.573 2.336 ( -1.559 1.033 -0.593) 1.962 2.336 ( -1.559 1.033 0.593) 1.962 2.341 ( -1.813 0.314 -0.742) 1.984 2.341 ( -1.813 0.314 0.742) 1.984 3.526 ( -23.724 -0.048 -0.150) 23.725 3.526 ( -23.724 -0.048 0.150) 23.725 4.560 ( 19.840 7.309 -2.698) 21.315 4.560 ( 19.840 7.309 2.698) 21.315 5.978 ( -10.481 -1.663 -3.754) 11.256 5.978 ( -10.481 -1.663 3.754) 11.256 12.437 ( 17.625 0.206 -0.812) 17.645 12.437 ( 17.625 0.206 0.812) 17.645 14.238 ( -20.406 -0.911 -0.856) 20.444 14.238 ( -20.406 -0.911 0.856) 20.444 15.373 ( 20.236 -0.366 -0.761) 20.253 15.373 ( 20.236 -0.366 0.761) 20.253 16.940 ( -13.845 -0.239 -0.224) 13.849 16.940 ( -13.845 -0.239 0.224) 13.849 ======================= Grid point 645 (199/200) ======================= q-point: ( 0.38 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 4.356 -0.018 -0.730) 4.417 1.280 ( 4.356 -0.018 0.730) 4.417 1.478 ( -2.054 0.132 -0.714) 2.179 1.478 ( -2.054 0.132 0.714) 2.179 1.909 ( 23.587 0.390 -0.878) 23.606 1.909 ( 23.587 0.390 0.878) 23.606 2.310 ( -0.693 1.132 -0.725) 1.512 2.310 ( -0.693 1.132 0.725) 1.512 2.321 ( -0.639 0.263 -0.346) 0.773 2.321 ( -0.639 0.263 0.346) 0.773 3.023 ( -29.104 -0.112 -0.111) 29.105 3.023 ( -29.104 -0.112 0.111) 29.105 4.947 ( 20.388 8.920 -2.893) 22.441 4.947 ( 20.388 8.920 2.893) 22.441 5.738 ( -14.596 -3.403 -3.425) 15.374 5.738 ( -14.596 -3.403 3.425) 15.374 12.829 ( 23.658 0.391 -0.723) 23.673 12.829 ( 23.658 0.391 0.723) 23.673 13.806 ( -25.142 -1.051 -0.735) 25.174 13.806 ( -25.142 -1.051 0.735) 25.174 15.786 ( 23.193 -0.026 -0.766) 23.206 15.786 ( 23.193 -0.026 0.766) 23.206 16.627 ( -19.214 -0.630 -0.461) 19.230 16.627 ( -19.214 -0.630 0.461) 19.230 ======================= Grid point 647 (200/200) ======================= q-point: (-0.50 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -0.000 1.443 -0.000) 1.443 1.366 ( 0.000 1.443 -0.000) 1.443 1.392 ( -0.000 -1.306 0.000) 1.306 1.392 ( 0.000 -1.306 0.000) 1.306 2.281 ( -0.000 1.692 -0.000) 1.692 2.281 ( 0.000 1.692 -0.000) 1.692 2.297 ( -0.000 0.686 0.000) 0.686 2.297 ( 0.000 0.686 0.000) 0.686 2.444 ( -0.000 2.006 0.000) 2.006 2.444 ( 0.000 2.006 0.000) 2.006 2.495 ( -0.000 -2.606 -0.000) 2.606 2.495 ( 0.000 -2.606 -0.000) 2.606 5.223 ( -0.000 17.278 -0.000) 17.278 5.223 ( 0.000 17.278 0.000) 17.278 5.519 ( -0.000 -11.809 0.000) 11.809 5.519 ( 0.000 -11.809 0.000) 11.809 13.256 ( -0.000 4.973 0.000) 4.973 13.256 ( 0.000 4.973 0.000) 4.973 13.365 ( -0.000 -5.608 0.000) 5.608 13.365 ( 0.000 -5.608 0.000) 5.608 16.181 ( -0.000 4.046 0.000) 4.046 16.181 ( 0.000 4.046 0.000) 4.046 16.271 ( -0.000 -4.728 0.000) 4.728 16.271 ( 0.000 -4.728 0.000) 4.728 =================== 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 3/24192 10.0 175.933 83.248 69.593 0.000 0.000 -0.000 3/24192 20.0 76.230 22.510 20.016 0.000 0.000 0.000 3/24192 30.0 49.685 11.872 11.741 0.000 0.000 0.000 3/24192 40.0 38.440 7.992 8.357 0.000 0.000 0.000 3/24192 50.0 31.921 6.112 6.504 0.000 0.000 0.000 3/24192 60.0 27.485 5.033 5.348 0.000 0.000 0.000 3/24192 70.0 24.198 4.329 4.563 0.000 0.000 0.000 3/24192 80.0 21.639 3.824 3.995 0.000 0.000 0.000 3/24192 90.0 19.582 3.437 3.564 0.000 0.000 0.000 3/24192 100.0 17.891 3.127 3.226 0.000 0.000 0.000 3/24192 110.0 16.476 2.870 2.952 0.000 0.000 0.000 3/24192 120.0 15.276 2.654 2.727 0.000 0.000 0.000 3/24192 130.0 14.245 2.468 2.537 0.000 0.000 0.000 3/24192 140.0 13.350 2.307 2.375 0.000 0.000 0.000 3/24192 150.0 12.565 2.166 2.234 0.000 0.000 0.000 3/24192 160.0 11.872 2.041 2.112 0.000 0.000 0.000 3/24192 170.0 11.254 1.930 2.003 0.000 0.000 0.000 3/24192 180.0 10.699 1.831 1.906 0.000 0.000 0.000 3/24192 190.0 10.199 1.741 1.819 0.000 0.000 0.000 3/24192 200.0 9.744 1.660 1.740 0.000 0.000 0.000 3/24192 210.0 9.330 1.586 1.668 0.000 0.000 0.000 3/24192 220.0 8.949 1.518 1.602 0.000 0.000 0.000 3/24192 230.0 8.600 1.456 1.542 0.000 0.000 0.000 3/24192 240.0 8.276 1.399 1.486 0.000 0.000 0.000 3/24192 250.0 7.977 1.347 1.434 0.000 0.000 0.000 3/24192 260.0 7.698 1.298 1.386 0.000 0.000 0.000 3/24192 270.0 7.438 1.252 1.340 0.000 0.000 0.000 3/24192 280.0 7.196 1.210 1.298 0.000 0.000 0.000 3/24192 290.0 6.968 1.170 1.258 0.000 0.000 0.000 3/24192 300.0 6.755 1.133 1.221 0.000 0.000 0.000 3/24192 310.0 6.554 1.098 1.186 0.000 0.000 0.000 3/24192 320.0 6.364 1.066 1.153 0.000 0.000 0.000 3/24192 330.0 6.185 1.035 1.121 0.000 0.000 0.000 3/24192 340.0 6.016 1.006 1.092 0.000 0.000 0.000 3/24192 350.0 5.856 0.978 1.063 0.000 0.000 0.000 3/24192 360.0 5.703 0.952 1.036 0.000 0.000 0.000 3/24192 370.0 5.559 0.927 1.011 0.000 0.000 0.000 3/24192 380.0 5.421 0.904 0.987 0.000 0.000 0.000 3/24192 390.0 5.291 0.881 0.963 0.000 0.000 0.000 3/24192 400.0 5.166 0.860 0.941 0.000 0.000 0.000 3/24192 410.0 5.047 0.840 0.920 0.000 0.000 0.000 3/24192 420.0 4.933 0.820 0.900 0.000 0.000 0.000 3/24192 430.0 4.824 0.802 0.880 0.000 0.000 0.000 3/24192 440.0 4.720 0.784 0.862 0.000 0.000 0.000 3/24192 450.0 4.620 0.767 0.844 0.000 0.000 0.000 3/24192 460.0 4.524 0.751 0.827 0.000 0.000 0.000 3/24192 470.0 4.432 0.736 0.810 0.000 0.000 0.000 3/24192 480.0 4.344 0.721 0.794 0.000 0.000 0.000 3/24192 490.0 4.259 0.706 0.779 0.000 0.000 0.000 3/24192 500.0 4.177 0.693 0.764 0.000 0.000 0.000 3/24192 510.0 4.098 0.679 0.750 0.000 0.000 0.000 3/24192 520.0 4.022 0.667 0.737 0.000 0.000 0.000 3/24192 530.0 3.949 0.654 0.724 0.000 0.000 0.000 3/24192 540.0 3.879 0.642 0.711 0.000 0.000 0.000 3/24192 550.0 3.811 0.631 0.699 0.000 0.000 0.000 3/24192 560.0 3.745 0.620 0.687 0.000 0.000 0.000 3/24192 570.0 3.681 0.609 0.675 0.000 0.000 0.000 3/24192 580.0 3.620 0.599 0.664 0.000 0.000 0.000 3/24192 590.0 3.560 0.589 0.653 0.000 0.000 0.000 3/24192 600.0 3.503 0.579 0.643 0.000 0.000 0.000 3/24192 610.0 3.447 0.570 0.633 0.000 0.000 0.000 3/24192 620.0 3.393 0.561 0.623 0.000 0.000 0.000 3/24192 630.0 3.341 0.552 0.614 0.000 0.000 0.000 3/24192 640.0 3.290 0.544 0.604 0.000 0.000 0.000 3/24192 650.0 3.241 0.536 0.595 0.000 0.000 0.000 3/24192 660.0 3.193 0.528 0.587 0.000 0.000 0.000 3/24192 670.0 3.146 0.520 0.578 0.000 0.000 0.000 3/24192 680.0 3.101 0.512 0.570 0.000 0.000 0.000 3/24192 690.0 3.057 0.505 0.562 0.000 0.000 0.000 3/24192 700.0 3.015 0.498 0.554 0.000 0.000 0.000 3/24192 710.0 2.973 0.491 0.547 0.000 0.000 0.000 3/24192 720.0 2.933 0.484 0.539 0.000 0.000 0.000 3/24192 730.0 2.893 0.478 0.532 0.000 0.000 0.000 3/24192 740.0 2.855 0.471 0.525 0.000 0.000 0.000 3/24192 750.0 2.818 0.465 0.518 0.000 0.000 0.000 3/24192 760.0 2.781 0.459 0.512 0.000 0.000 0.000 3/24192 770.0 2.746 0.453 0.505 0.000 0.000 0.000 3/24192 780.0 2.712 0.448 0.499 0.000 0.000 0.000 3/24192 790.0 2.678 0.442 0.493 0.000 0.000 0.000 3/24192 800.0 2.645 0.436 0.487 0.000 0.000 0.000 3/24192 810.0 2.613 0.431 0.481 0.000 0.000 0.000 3/24192 820.0 2.582 0.426 0.475 0.000 0.000 0.000 3/24192 830.0 2.551 0.421 0.470 0.000 0.000 0.000 3/24192 840.0 2.521 0.416 0.464 0.000 0.000 0.000 3/24192 850.0 2.492 0.411 0.459 0.000 0.000 0.000 3/24192 860.0 2.463 0.406 0.454 0.000 0.000 0.000 3/24192 870.0 2.436 0.402 0.449 0.000 0.000 0.000 3/24192 880.0 2.408 0.397 0.444 0.000 0.000 0.000 3/24192 890.0 2.382 0.393 0.439 0.000 0.000 0.000 3/24192 900.0 2.356 0.388 0.434 0.000 0.000 0.000 3/24192 910.0 2.330 0.384 0.429 0.000 0.000 0.000 3/24192 920.0 2.305 0.380 0.425 0.000 0.000 0.000 3/24192 930.0 2.281 0.376 0.420 0.000 0.000 0.000 3/24192 940.0 2.257 0.372 0.416 0.000 0.000 0.000 3/24192 950.0 2.233 0.368 0.412 0.000 0.000 0.000 3/24192 960.0 2.210 0.364 0.407 0.000 0.000 0.000 3/24192 970.0 2.188 0.361 0.403 0.000 0.000 0.000 3/24192 980.0 2.166 0.357 0.399 0.000 0.000 0.000 3/24192 990.0 2.144 0.353 0.395 0.000 0.000 0.000 3/24192 1000.0 2.123 0.350 0.391 0.000 0.000 0.000 3/24192 Thermal conductivity related properties were written into "kappa-m8914.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:47:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|