----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:40:49]------------------------- 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: [4 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.032944690000000 -6.560260949999999 0.000000000000000 b 2.032944690000000 6.560260949999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.057535970000000 Atomic positions (fractional): *1 Br 0.64889601665753 0.35110398334247 0.43481911216589 79.904 2 Br 0.35110398334247 0.64889601665753 0.56518088783411 79.904 *3 Br 0.08556700894293 0.91443299105707 0.75000000000000 79.904 4 Br 0.91443299105707 0.08556700894293 0.25000000000000 79.904 5 Br 0.64889601665753 0.35110398334247 0.06518088783411 79.904 6 Br 0.35110398334247 0.64889601665753 0.93481911216589 79.904 *7 Nd 0.25809481266132 0.74190518733868 0.25000000000000 144.242 8 Nd 0.74190518733868 0.25809481266132 0.75000000000000 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.065889380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.120521899999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.057535970000000 Atomic positions (fractional): *1 Br 0.00000000000000 0.35110398334247 0.43481911216589 79.904 > 1 2 Br 0.50000000000000 0.14889601665753 0.56518088783411 79.904 > 2 *3 Br 0.50000000000000 0.41443299105707 0.75000000000000 79.904 > 3 4 Br 0.00000000000000 0.08556700894293 0.25000000000000 79.904 > 4 5 Br 0.00000000000000 0.35110398334247 0.06518088783411 79.904 > 5 6 Br 0.50000000000000 0.14889601665753 0.93481911216589 79.904 > 6 7 Br 0.50000000000000 0.85110398334247 0.43481911216589 79.904 > 1 8 Br 0.00000000000000 0.64889601665753 0.56518088783411 79.904 > 2 9 Br 0.00000000000000 0.91443299105707 0.75000000000000 79.904 > 3 10 Br 0.50000000000000 0.58556700894293 0.25000000000000 79.904 > 4 11 Br 0.50000000000000 0.85110398334247 0.06518088783411 79.904 > 5 12 Br 0.00000000000000 0.64889601665753 0.93481911216589 79.904 > 6 *13 Nd 0.50000000000000 0.24190518733868 0.25000000000000 144.242 > 7 14 Nd 0.00000000000000 0.25809481266132 0.75000000000000 144.242 > 8 15 Nd 0.00000000000000 0.74190518733868 0.25000000000000 144.242 > 7 16 Nd 0.50000000000000 0.75809481266132 0.75000000000000 144.242 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.263557519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.120521899999998 0.000000000000000 c 0.000000000000000 0.000000000000000 18.115071940000000 Atomic positions (fractional): *1 Br 0.00000000000000 0.35110398334247 0.21740955608295 79.904 > 1 2 Br 0.25000000000000 0.35110398334247 0.21740955608295 79.904 > 1 3 Br 0.50000000000000 0.35110398334247 0.21740955608295 79.904 > 1 4 Br 0.75000000000000 0.35110398334247 0.21740955608295 79.904 > 1 5 Br 0.00000000000000 0.35110398334247 0.71740955608295 79.904 > 1 6 Br 0.25000000000000 0.35110398334247 0.71740955608295 79.904 > 1 7 Br 0.50000000000000 0.35110398334247 0.71740955608295 79.904 > 1 8 Br 0.75000000000000 0.35110398334247 0.71740955608295 79.904 > 1 9 Br 0.12500000000000 0.14889601665753 0.28259044391705 79.904 > 2 10 Br 0.37500000000000 0.14889601665753 0.28259044391705 79.904 > 2 11 Br 0.62500000000000 0.14889601665753 0.28259044391705 79.904 > 2 12 Br 0.87500000000000 0.14889601665753 0.28259044391705 79.904 > 2 13 Br 0.12500000000000 0.14889601665753 0.78259044391705 79.904 > 2 14 Br 0.37500000000000 0.14889601665753 0.78259044391705 79.904 > 2 15 Br 0.62500000000000 0.14889601665753 0.78259044391705 79.904 > 2 16 Br 0.87500000000000 0.14889601665753 0.78259044391705 79.904 > 2 *17 Br 0.12500000000000 0.41443299105707 0.37500000000000 79.904 > 3 18 Br 0.37500000000000 0.41443299105707 0.37500000000000 79.904 > 3 19 Br 0.62500000000000 0.41443299105707 0.37500000000000 79.904 > 3 20 Br 0.87500000000000 0.41443299105707 0.37500000000000 79.904 > 3 21 Br 0.12500000000000 0.41443299105707 0.87500000000000 79.904 > 3 22 Br 0.37500000000000 0.41443299105707 0.87500000000000 79.904 > 3 23 Br 0.62500000000000 0.41443299105707 0.87500000000000 79.904 > 3 24 Br 0.87500000000000 0.41443299105707 0.87500000000000 79.904 > 3 25 Br 0.00000000000000 0.08556700894293 0.12500000000000 79.904 > 4 26 Br 0.25000000000000 0.08556700894293 0.12500000000000 79.904 > 4 27 Br 0.50000000000000 0.08556700894293 0.12500000000000 79.904 > 4 28 Br 0.75000000000000 0.08556700894293 0.12500000000000 79.904 > 4 29 Br 0.00000000000000 0.08556700894293 0.62500000000000 79.904 > 4 30 Br 0.25000000000000 0.08556700894293 0.62500000000000 79.904 > 4 31 Br 0.50000000000000 0.08556700894293 0.62500000000000 79.904 > 4 32 Br 0.75000000000000 0.08556700894293 0.62500000000000 79.904 > 4 33 Br 0.00000000000000 0.35110398334247 0.03259044391705 79.904 > 5 34 Br 0.25000000000000 0.35110398334247 0.03259044391705 79.904 > 5 35 Br 0.50000000000000 0.35110398334247 0.03259044391705 79.904 > 5 36 Br 0.75000000000000 0.35110398334247 0.03259044391705 79.904 > 5 37 Br 0.00000000000000 0.35110398334247 0.53259044391705 79.904 > 5 38 Br 0.25000000000000 0.35110398334247 0.53259044391705 79.904 > 5 39 Br 0.50000000000000 0.35110398334247 0.53259044391705 79.904 > 5 40 Br 0.75000000000000 0.35110398334247 0.53259044391705 79.904 > 5 41 Br 0.12500000000000 0.14889601665753 0.46740955608295 79.904 > 6 42 Br 0.37500000000000 0.14889601665753 0.46740955608295 79.904 > 6 43 Br 0.62500000000000 0.14889601665753 0.46740955608295 79.904 > 6 44 Br 0.87500000000000 0.14889601665753 0.46740955608295 79.904 > 6 45 Br 0.12500000000000 0.14889601665753 0.96740955608295 79.904 > 6 46 Br 0.37500000000000 0.14889601665753 0.96740955608295 79.904 > 6 47 Br 0.62500000000000 0.14889601665753 0.96740955608295 79.904 > 6 48 Br 0.87500000000000 0.14889601665753 0.96740955608295 79.904 > 6 49 Br 0.12500000000000 0.85110398334247 0.21740955608295 79.904 > 1 50 Br 0.37500000000000 0.85110398334247 0.21740955608295 79.904 > 1 51 Br 0.62500000000000 0.85110398334247 0.21740955608295 79.904 > 1 52 Br 0.87500000000000 0.85110398334247 0.21740955608295 79.904 > 1 53 Br 0.12500000000000 0.85110398334247 0.71740955608295 79.904 > 1 54 Br 0.37500000000000 0.85110398334247 0.71740955608295 79.904 > 1 55 Br 0.62500000000000 0.85110398334247 0.71740955608295 79.904 > 1 56 Br 0.87500000000000 0.85110398334247 0.71740955608295 79.904 > 1 57 Br 0.00000000000000 0.64889601665753 0.28259044391705 79.904 > 2 58 Br 0.25000000000000 0.64889601665753 0.28259044391705 79.904 > 2 59 Br 0.50000000000000 0.64889601665753 0.28259044391705 79.904 > 2 60 Br 0.75000000000000 0.64889601665753 0.28259044391705 79.904 > 2 61 Br 0.00000000000000 0.64889601665753 0.78259044391705 79.904 > 2 62 Br 0.25000000000000 0.64889601665753 0.78259044391705 79.904 > 2 63 Br 0.50000000000000 0.64889601665753 0.78259044391705 79.904 > 2 64 Br 0.75000000000000 0.64889601665753 0.78259044391705 79.904 > 2 65 Br 0.00000000000000 0.91443299105707 0.37500000000000 79.904 > 3 66 Br 0.25000000000000 0.91443299105707 0.37500000000000 79.904 > 3 67 Br 0.50000000000000 0.91443299105707 0.37500000000000 79.904 > 3 68 Br 0.75000000000000 0.91443299105707 0.37500000000000 79.904 > 3 69 Br 0.00000000000000 0.91443299105707 0.87500000000000 79.904 > 3 70 Br 0.25000000000000 0.91443299105707 0.87500000000000 79.904 > 3 71 Br 0.50000000000000 0.91443299105707 0.87500000000000 79.904 > 3 72 Br 0.75000000000000 0.91443299105707 0.87500000000000 79.904 > 3 73 Br 0.12500000000000 0.58556700894293 0.12500000000000 79.904 > 4 74 Br 0.37500000000000 0.58556700894293 0.12500000000000 79.904 > 4 75 Br 0.62500000000000 0.58556700894293 0.12500000000000 79.904 > 4 76 Br 0.87500000000000 0.58556700894293 0.12500000000000 79.904 > 4 77 Br 0.12500000000000 0.58556700894293 0.62500000000000 79.904 > 4 78 Br 0.37500000000000 0.58556700894293 0.62500000000000 79.904 > 4 79 Br 0.62500000000000 0.58556700894293 0.62500000000000 79.904 > 4 80 Br 0.87500000000000 0.58556700894293 0.62500000000000 79.904 > 4 81 Br 0.12500000000000 0.85110398334247 0.03259044391705 79.904 > 5 82 Br 0.37500000000000 0.85110398334247 0.03259044391705 79.904 > 5 83 Br 0.62500000000000 0.85110398334247 0.03259044391705 79.904 > 5 84 Br 0.87500000000000 0.85110398334247 0.03259044391705 79.904 > 5 85 Br 0.12500000000000 0.85110398334247 0.53259044391705 79.904 > 5 86 Br 0.37500000000000 0.85110398334247 0.53259044391705 79.904 > 5 87 Br 0.62500000000000 0.85110398334247 0.53259044391705 79.904 > 5 88 Br 0.87500000000000 0.85110398334247 0.53259044391705 79.904 > 5 89 Br 0.00000000000000 0.64889601665753 0.46740955608295 79.904 > 6 90 Br 0.25000000000000 0.64889601665753 0.46740955608295 79.904 > 6 91 Br 0.50000000000000 0.64889601665753 0.46740955608295 79.904 > 6 92 Br 0.75000000000000 0.64889601665753 0.46740955608295 79.904 > 6 93 Br 0.00000000000000 0.64889601665753 0.96740955608295 79.904 > 6 94 Br 0.25000000000000 0.64889601665753 0.96740955608295 79.904 > 6 95 Br 0.50000000000000 0.64889601665753 0.96740955608295 79.904 > 6 96 Br 0.75000000000000 0.64889601665753 0.96740955608295 79.904 > 6 *97 Nd 0.12500000000000 0.24190518733868 0.12500000000000 144.242 > 7 98 Nd 0.37500000000000 0.24190518733868 0.12500000000000 144.242 > 7 99 Nd 0.62500000000000 0.24190518733868 0.12500000000000 144.242 > 7 100 Nd 0.87500000000000 0.24190518733868 0.12500000000000 144.242 > 7 101 Nd 0.12500000000000 0.24190518733868 0.62500000000000 144.242 > 7 102 Nd 0.37500000000000 0.24190518733868 0.62500000000000 144.242 > 7 103 Nd 0.62500000000000 0.24190518733868 0.62500000000000 144.242 > 7 104 Nd 0.87500000000000 0.24190518733868 0.62500000000000 144.242 > 7 105 Nd 0.00000000000000 0.25809481266132 0.37500000000000 144.242 > 8 106 Nd 0.25000000000000 0.25809481266132 0.37500000000000 144.242 > 8 107 Nd 0.50000000000000 0.25809481266132 0.37500000000000 144.242 > 8 108 Nd 0.75000000000000 0.25809481266132 0.37500000000000 144.242 > 8 109 Nd 0.00000000000000 0.25809481266132 0.87500000000000 144.242 > 8 110 Nd 0.25000000000000 0.25809481266132 0.87500000000000 144.242 > 8 111 Nd 0.50000000000000 0.25809481266132 0.87500000000000 144.242 > 8 112 Nd 0.75000000000000 0.25809481266132 0.87500000000000 144.242 > 8 113 Nd 0.00000000000000 0.74190518733868 0.12500000000000 144.242 > 7 114 Nd 0.25000000000000 0.74190518733868 0.12500000000000 144.242 > 7 115 Nd 0.50000000000000 0.74190518733868 0.12500000000000 144.242 > 7 116 Nd 0.75000000000000 0.74190518733868 0.12500000000000 144.242 > 7 117 Nd 0.00000000000000 0.74190518733868 0.62500000000000 144.242 > 7 118 Nd 0.25000000000000 0.74190518733868 0.62500000000000 144.242 > 7 119 Nd 0.50000000000000 0.74190518733868 0.62500000000000 144.242 > 7 120 Nd 0.75000000000000 0.74190518733868 0.62500000000000 144.242 > 7 121 Nd 0.12500000000000 0.75809481266132 0.37500000000000 144.242 > 8 122 Nd 0.37500000000000 0.75809481266132 0.37500000000000 144.242 > 8 123 Nd 0.62500000000000 0.75809481266132 0.37500000000000 144.242 > 8 124 Nd 0.87500000000000 0.75809481266132 0.37500000000000 144.242 > 8 125 Nd 0.12500000000000 0.75809481266132 0.87500000000000 144.242 > 8 126 Nd 0.37500000000000 0.75809481266132 0.87500000000000 144.242 > 8 127 Nd 0.62500000000000 0.75809481266132 0.87500000000000 144.242 > 8 128 Nd 0.87500000000000 0.75809481266132 0.87500000000000 144.242 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8704187 0.0000000 0.0000000 0.0000000 3.6601096 0.0000000 0.0000000 0.0000000 4.8410965 -------------------------- Born effective charges -------------------------- 1 Br -1.3607643 0.0000000 0.0000000 0.0000000 -0.5724119 -0.1346975 0.0000000 -0.0829810 -1.6278829 2 Br -1.3607643 0.0000000 0.0000000 0.0000000 -0.5724119 -0.1346975 0.0000000 -0.0829810 -1.6278829 3 Br -1.8875637 0.0000000 0.0000000 0.0000000 -1.1212391 0.0000000 0.0000000 0.0000000 -0.5713063 4 Br -1.8875637 0.0000000 0.0000000 0.0000000 -1.1212391 0.0000000 0.0000000 0.0000000 -0.5713063 5 Br -1.3607643 0.0000000 0.0000000 0.0000000 -0.5724119 0.1346975 0.0000000 0.0829810 -1.6278829 6 Br -1.3607643 0.0000000 0.0000000 0.0000000 -0.5724119 0.1346975 0.0000000 0.0829810 -1.6278829 7 Nd 4.6090922 0.0000000 0.0000000 0.0000000 2.2660628 0.0000000 0.0000000 0.0000000 3.8270720 8 Nd 4.6090922 0.0000000 0.0000000 0.0000000 2.2660628 0.0000000 0.0000000 0.0000000 3.8270720 ---------------------------------------------------------------------------- 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: 6288/6288 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 692 Number of blocks in projector: 692 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: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 84 Use standard eigh solver. Tree of FC basis block matrices: - (692, 681), data: False |-- (84, 84), data: True |-- (108, 108), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (140, 138), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 160 - Time: 0.706 Solver_block: 160 / 160 - Time: 0.447 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.168 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 6288/6288 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 692 Number of blocks in projector: 692 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: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 84 Use standard eigh solver. Tree of FC basis block matrices: - (692, 681), data: False |-- (84, 84), data: True |-- (108, 108), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (140, 138), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:40:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:40:58]------------------------- 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): [4 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.032944690000000 -6.560260949999999 0.000000000000000 b 2.032944690000000 6.560260949999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.057535970000000 Atomic positions (fractional): 1 Br 0.64889601665753 0.35110398334247 0.43481911216589 79.904 2 Br 0.35110398334247 0.64889601665753 0.56518088783411 79.904 3 Br 0.08556700894293 0.91443299105707 0.75000000000000 79.904 4 Br 0.91443299105707 0.08556700894293 0.25000000000000 79.904 5 Br 0.64889601665753 0.35110398334247 0.06518088783411 79.904 6 Br 0.35110398334247 0.64889601665753 0.93481911216589 79.904 7 Nd 0.25809481266132 0.74190518733868 0.25000000000000 144.242 8 Nd 0.74190518733868 0.25809481266132 0.75000000000000 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.263557519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.120521899999998 0.000000000000000 c 0.000000000000000 0.000000000000000 18.115071940000000 Atomic positions (fractional): 1 Br 0.00000000000000 0.35110398334247 0.21740955608295 79.904 > 1 2 Br 0.25000000000000 0.35110398334247 0.21740955608295 79.904 > 1 3 Br 0.50000000000000 0.35110398334247 0.21740955608295 79.904 > 1 4 Br 0.75000000000000 0.35110398334247 0.21740955608295 79.904 > 1 5 Br 0.00000000000000 0.35110398334247 0.71740955608295 79.904 > 1 6 Br 0.25000000000000 0.35110398334247 0.71740955608295 79.904 > 1 7 Br 0.50000000000000 0.35110398334247 0.71740955608295 79.904 > 1 8 Br 0.75000000000000 0.35110398334247 0.71740955608295 79.904 > 1 9 Br 0.12500000000000 0.14889601665753 0.28259044391705 79.904 > 9 10 Br 0.37500000000000 0.14889601665753 0.28259044391705 79.904 > 9 11 Br 0.62500000000000 0.14889601665753 0.28259044391705 79.904 > 9 12 Br 0.87500000000000 0.14889601665753 0.28259044391705 79.904 > 9 13 Br 0.12500000000000 0.14889601665753 0.78259044391705 79.904 > 9 14 Br 0.37500000000000 0.14889601665753 0.78259044391705 79.904 > 9 15 Br 0.62500000000000 0.14889601665753 0.78259044391705 79.904 > 9 16 Br 0.87500000000000 0.14889601665753 0.78259044391705 79.904 > 9 17 Br 0.12500000000000 0.41443299105707 0.37500000000000 79.904 > 17 18 Br 0.37500000000000 0.41443299105707 0.37500000000000 79.904 > 17 19 Br 0.62500000000000 0.41443299105707 0.37500000000000 79.904 > 17 20 Br 0.87500000000000 0.41443299105707 0.37500000000000 79.904 > 17 21 Br 0.12500000000000 0.41443299105707 0.87500000000000 79.904 > 17 22 Br 0.37500000000000 0.41443299105707 0.87500000000000 79.904 > 17 23 Br 0.62500000000000 0.41443299105707 0.87500000000000 79.904 > 17 24 Br 0.87500000000000 0.41443299105707 0.87500000000000 79.904 > 17 25 Br 0.00000000000000 0.08556700894293 0.12500000000000 79.904 > 25 26 Br 0.25000000000000 0.08556700894293 0.12500000000000 79.904 > 25 27 Br 0.50000000000000 0.08556700894293 0.12500000000000 79.904 > 25 28 Br 0.75000000000000 0.08556700894293 0.12500000000000 79.904 > 25 29 Br 0.00000000000000 0.08556700894293 0.62500000000000 79.904 > 25 30 Br 0.25000000000000 0.08556700894293 0.62500000000000 79.904 > 25 31 Br 0.50000000000000 0.08556700894293 0.62500000000000 79.904 > 25 32 Br 0.75000000000000 0.08556700894293 0.62500000000000 79.904 > 25 33 Br 0.00000000000000 0.35110398334247 0.03259044391705 79.904 > 33 34 Br 0.25000000000000 0.35110398334247 0.03259044391705 79.904 > 33 35 Br 0.50000000000000 0.35110398334247 0.03259044391705 79.904 > 33 36 Br 0.75000000000000 0.35110398334247 0.03259044391705 79.904 > 33 37 Br 0.00000000000000 0.35110398334247 0.53259044391705 79.904 > 33 38 Br 0.25000000000000 0.35110398334247 0.53259044391705 79.904 > 33 39 Br 0.50000000000000 0.35110398334247 0.53259044391705 79.904 > 33 40 Br 0.75000000000000 0.35110398334247 0.53259044391705 79.904 > 33 41 Br 0.12500000000000 0.14889601665753 0.46740955608295 79.904 > 41 42 Br 0.37500000000000 0.14889601665753 0.46740955608295 79.904 > 41 43 Br 0.62500000000000 0.14889601665753 0.46740955608295 79.904 > 41 44 Br 0.87500000000000 0.14889601665753 0.46740955608295 79.904 > 41 45 Br 0.12500000000000 0.14889601665753 0.96740955608295 79.904 > 41 46 Br 0.37500000000000 0.14889601665753 0.96740955608295 79.904 > 41 47 Br 0.62500000000000 0.14889601665753 0.96740955608295 79.904 > 41 48 Br 0.87500000000000 0.14889601665753 0.96740955608295 79.904 > 41 49 Br 0.12500000000000 0.85110398334247 0.21740955608295 79.904 > 1 50 Br 0.37500000000000 0.85110398334247 0.21740955608295 79.904 > 1 51 Br 0.62500000000000 0.85110398334247 0.21740955608295 79.904 > 1 52 Br 0.87500000000000 0.85110398334247 0.21740955608295 79.904 > 1 53 Br 0.12500000000000 0.85110398334247 0.71740955608295 79.904 > 1 54 Br 0.37500000000000 0.85110398334247 0.71740955608295 79.904 > 1 55 Br 0.62500000000000 0.85110398334247 0.71740955608295 79.904 > 1 56 Br 0.87500000000000 0.85110398334247 0.71740955608295 79.904 > 1 57 Br 0.00000000000000 0.64889601665753 0.28259044391705 79.904 > 9 58 Br 0.25000000000000 0.64889601665753 0.28259044391705 79.904 > 9 59 Br 0.50000000000000 0.64889601665753 0.28259044391705 79.904 > 9 60 Br 0.75000000000000 0.64889601665753 0.28259044391705 79.904 > 9 61 Br 0.00000000000000 0.64889601665753 0.78259044391705 79.904 > 9 62 Br 0.25000000000000 0.64889601665753 0.78259044391705 79.904 > 9 63 Br 0.50000000000000 0.64889601665753 0.78259044391705 79.904 > 9 64 Br 0.75000000000000 0.64889601665753 0.78259044391705 79.904 > 9 65 Br 0.00000000000000 0.91443299105707 0.37500000000000 79.904 > 17 66 Br 0.25000000000000 0.91443299105707 0.37500000000000 79.904 > 17 67 Br 0.50000000000000 0.91443299105707 0.37500000000000 79.904 > 17 68 Br 0.75000000000000 0.91443299105707 0.37500000000000 79.904 > 17 69 Br 0.00000000000000 0.91443299105707 0.87500000000000 79.904 > 17 70 Br 0.25000000000000 0.91443299105707 0.87500000000000 79.904 > 17 71 Br 0.50000000000000 0.91443299105707 0.87500000000000 79.904 > 17 72 Br 0.75000000000000 0.91443299105707 0.87500000000000 79.904 > 17 73 Br 0.12500000000000 0.58556700894293 0.12500000000000 79.904 > 25 74 Br 0.37500000000000 0.58556700894293 0.12500000000000 79.904 > 25 75 Br 0.62500000000000 0.58556700894293 0.12500000000000 79.904 > 25 76 Br 0.87500000000000 0.58556700894293 0.12500000000000 79.904 > 25 77 Br 0.12500000000000 0.58556700894293 0.62500000000000 79.904 > 25 78 Br 0.37500000000000 0.58556700894293 0.62500000000000 79.904 > 25 79 Br 0.62500000000000 0.58556700894293 0.62500000000000 79.904 > 25 80 Br 0.87500000000000 0.58556700894293 0.62500000000000 79.904 > 25 81 Br 0.12500000000000 0.85110398334247 0.03259044391705 79.904 > 33 82 Br 0.37500000000000 0.85110398334247 0.03259044391705 79.904 > 33 83 Br 0.62500000000000 0.85110398334247 0.03259044391705 79.904 > 33 84 Br 0.87500000000000 0.85110398334247 0.03259044391705 79.904 > 33 85 Br 0.12500000000000 0.85110398334247 0.53259044391705 79.904 > 33 86 Br 0.37500000000000 0.85110398334247 0.53259044391705 79.904 > 33 87 Br 0.62500000000000 0.85110398334247 0.53259044391705 79.904 > 33 88 Br 0.87500000000000 0.85110398334247 0.53259044391705 79.904 > 33 89 Br 0.00000000000000 0.64889601665753 0.46740955608295 79.904 > 41 90 Br 0.25000000000000 0.64889601665753 0.46740955608295 79.904 > 41 91 Br 0.50000000000000 0.64889601665753 0.46740955608295 79.904 > 41 92 Br 0.75000000000000 0.64889601665753 0.46740955608295 79.904 > 41 93 Br 0.00000000000000 0.64889601665753 0.96740955608295 79.904 > 41 94 Br 0.25000000000000 0.64889601665753 0.96740955608295 79.904 > 41 95 Br 0.50000000000000 0.64889601665753 0.96740955608295 79.904 > 41 96 Br 0.75000000000000 0.64889601665753 0.96740955608295 79.904 > 41 97 Nd 0.12500000000000 0.24190518733868 0.12500000000000 144.242 > 97 98 Nd 0.37500000000000 0.24190518733868 0.12500000000000 144.242 > 97 99 Nd 0.62500000000000 0.24190518733868 0.12500000000000 144.242 > 97 100 Nd 0.87500000000000 0.24190518733868 0.12500000000000 144.242 > 97 101 Nd 0.12500000000000 0.24190518733868 0.62500000000000 144.242 > 97 102 Nd 0.37500000000000 0.24190518733868 0.62500000000000 144.242 > 97 103 Nd 0.62500000000000 0.24190518733868 0.62500000000000 144.242 > 97 104 Nd 0.87500000000000 0.24190518733868 0.62500000000000 144.242 > 97 105 Nd 0.00000000000000 0.25809481266132 0.37500000000000 144.242 > 105 106 Nd 0.25000000000000 0.25809481266132 0.37500000000000 144.242 > 105 107 Nd 0.50000000000000 0.25809481266132 0.37500000000000 144.242 > 105 108 Nd 0.75000000000000 0.25809481266132 0.37500000000000 144.242 > 105 109 Nd 0.00000000000000 0.25809481266132 0.87500000000000 144.242 > 105 110 Nd 0.25000000000000 0.25809481266132 0.87500000000000 144.242 > 105 111 Nd 0.50000000000000 0.25809481266132 0.87500000000000 144.242 > 105 112 Nd 0.75000000000000 0.25809481266132 0.87500000000000 144.242 > 105 113 Nd 0.00000000000000 0.74190518733868 0.12500000000000 144.242 > 97 114 Nd 0.25000000000000 0.74190518733868 0.12500000000000 144.242 > 97 115 Nd 0.50000000000000 0.74190518733868 0.12500000000000 144.242 > 97 116 Nd 0.75000000000000 0.74190518733868 0.12500000000000 144.242 > 97 117 Nd 0.00000000000000 0.74190518733868 0.62500000000000 144.242 > 97 118 Nd 0.25000000000000 0.74190518733868 0.62500000000000 144.242 > 97 119 Nd 0.50000000000000 0.74190518733868 0.62500000000000 144.242 > 97 120 Nd 0.75000000000000 0.74190518733868 0.62500000000000 144.242 > 97 121 Nd 0.12500000000000 0.75809481266132 0.37500000000000 144.242 > 105 122 Nd 0.37500000000000 0.75809481266132 0.37500000000000 144.242 > 105 123 Nd 0.62500000000000 0.75809481266132 0.37500000000000 144.242 > 105 124 Nd 0.87500000000000 0.75809481266132 0.37500000000000 144.242 > 105 125 Nd 0.12500000000000 0.75809481266132 0.87500000000000 144.242 > 105 126 Nd 0.37500000000000 0.75809481266132 0.87500000000000 144.242 > 105 127 Nd 0.62500000000000 0.75809481266132 0.87500000000000 144.242 > 105 128 Nd 0.87500000000000 0.75809481266132 0.87500000000000 144.242 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8704187 0.0000000 0.0000000 0.0000000 3.6601096 0.0000000 0.0000000 0.0000000 4.8410965 -------------------------- Born effective charges -------------------------- 1 Br -1.3607643 0.0000000 0.0000000 0.0000000 -0.5724119 -0.1346975 0.0000000 -0.0829810 -1.6278829 2 Br -1.3607643 0.0000000 0.0000000 0.0000000 -0.5724119 -0.1346975 0.0000000 -0.0829810 -1.6278829 3 Br -1.8875637 0.0000000 0.0000000 0.0000000 -1.1212391 0.0000000 0.0000000 0.0000000 -0.5713063 4 Br -1.8875637 0.0000000 0.0000000 0.0000000 -1.1212391 0.0000000 0.0000000 0.0000000 -0.5713063 5 Br -1.3607643 0.0000000 0.0000000 0.0000000 -0.5724119 0.1346975 0.0000000 0.0829810 -1.6278829 6 Br -1.3607643 0.0000000 0.0000000 0.0000000 -0.5724119 0.1346975 0.0000000 0.0829810 -1.6278829 7 Nd 4.6090922 0.0000000 0.0000000 0.0000000 2.2660628 0.0000000 0.0000000 0.0000000 3.8270720 8 Nd 4.6090922 0.0000000 0.0000000 0.0000000 2.2660628 0.0000000 0.0000000 0.0000000 3.8270720 ---------------------------------------------------------------------------- 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[ 17, 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[ 97, 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: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:41:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:41:08]------------------------- 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): [4 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.032944690000000 -6.560260949999999 0.000000000000000 b 2.032944690000000 6.560260949999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.057535970000000 Atomic positions (fractional): 1 Br 0.64889601665753 0.35110398334247 0.43481911216589 79.904 2 Br 0.35110398334247 0.64889601665753 0.56518088783411 79.904 3 Br 0.08556700894293 0.91443299105707 0.75000000000000 79.904 4 Br 0.91443299105707 0.08556700894293 0.25000000000000 79.904 5 Br 0.64889601665753 0.35110398334247 0.06518088783411 79.904 6 Br 0.35110398334247 0.64889601665753 0.93481911216589 79.904 7 Nd 0.25809481266132 0.74190518733868 0.25000000000000 144.242 8 Nd 0.74190518733868 0.25809481266132 0.75000000000000 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.263557519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.120521899999998 0.000000000000000 c 0.000000000000000 0.000000000000000 18.115071940000000 Atomic positions (fractional): 1 Br 0.00000000000000 0.35110398334247 0.21740955608295 79.904 > 1 2 Br 0.25000000000000 0.35110398334247 0.21740955608295 79.904 > 1 3 Br 0.50000000000000 0.35110398334247 0.21740955608295 79.904 > 1 4 Br 0.75000000000000 0.35110398334247 0.21740955608295 79.904 > 1 5 Br 0.00000000000000 0.35110398334247 0.71740955608295 79.904 > 1 6 Br 0.25000000000000 0.35110398334247 0.71740955608295 79.904 > 1 7 Br 0.50000000000000 0.35110398334247 0.71740955608295 79.904 > 1 8 Br 0.75000000000000 0.35110398334247 0.71740955608295 79.904 > 1 9 Br 0.12500000000000 0.14889601665753 0.28259044391705 79.904 > 9 10 Br 0.37500000000000 0.14889601665753 0.28259044391705 79.904 > 9 11 Br 0.62500000000000 0.14889601665753 0.28259044391705 79.904 > 9 12 Br 0.87500000000000 0.14889601665753 0.28259044391705 79.904 > 9 13 Br 0.12500000000000 0.14889601665753 0.78259044391705 79.904 > 9 14 Br 0.37500000000000 0.14889601665753 0.78259044391705 79.904 > 9 15 Br 0.62500000000000 0.14889601665753 0.78259044391705 79.904 > 9 16 Br 0.87500000000000 0.14889601665753 0.78259044391705 79.904 > 9 17 Br 0.12500000000000 0.41443299105707 0.37500000000000 79.904 > 17 18 Br 0.37500000000000 0.41443299105707 0.37500000000000 79.904 > 17 19 Br 0.62500000000000 0.41443299105707 0.37500000000000 79.904 > 17 20 Br 0.87500000000000 0.41443299105707 0.37500000000000 79.904 > 17 21 Br 0.12500000000000 0.41443299105707 0.87500000000000 79.904 > 17 22 Br 0.37500000000000 0.41443299105707 0.87500000000000 79.904 > 17 23 Br 0.62500000000000 0.41443299105707 0.87500000000000 79.904 > 17 24 Br 0.87500000000000 0.41443299105707 0.87500000000000 79.904 > 17 25 Br 0.00000000000000 0.08556700894293 0.12500000000000 79.904 > 25 26 Br 0.25000000000000 0.08556700894293 0.12500000000000 79.904 > 25 27 Br 0.50000000000000 0.08556700894293 0.12500000000000 79.904 > 25 28 Br 0.75000000000000 0.08556700894293 0.12500000000000 79.904 > 25 29 Br 0.00000000000000 0.08556700894293 0.62500000000000 79.904 > 25 30 Br 0.25000000000000 0.08556700894293 0.62500000000000 79.904 > 25 31 Br 0.50000000000000 0.08556700894293 0.62500000000000 79.904 > 25 32 Br 0.75000000000000 0.08556700894293 0.62500000000000 79.904 > 25 33 Br 0.00000000000000 0.35110398334247 0.03259044391705 79.904 > 33 34 Br 0.25000000000000 0.35110398334247 0.03259044391705 79.904 > 33 35 Br 0.50000000000000 0.35110398334247 0.03259044391705 79.904 > 33 36 Br 0.75000000000000 0.35110398334247 0.03259044391705 79.904 > 33 37 Br 0.00000000000000 0.35110398334247 0.53259044391705 79.904 > 33 38 Br 0.25000000000000 0.35110398334247 0.53259044391705 79.904 > 33 39 Br 0.50000000000000 0.35110398334247 0.53259044391705 79.904 > 33 40 Br 0.75000000000000 0.35110398334247 0.53259044391705 79.904 > 33 41 Br 0.12500000000000 0.14889601665753 0.46740955608295 79.904 > 41 42 Br 0.37500000000000 0.14889601665753 0.46740955608295 79.904 > 41 43 Br 0.62500000000000 0.14889601665753 0.46740955608295 79.904 > 41 44 Br 0.87500000000000 0.14889601665753 0.46740955608295 79.904 > 41 45 Br 0.12500000000000 0.14889601665753 0.96740955608295 79.904 > 41 46 Br 0.37500000000000 0.14889601665753 0.96740955608295 79.904 > 41 47 Br 0.62500000000000 0.14889601665753 0.96740955608295 79.904 > 41 48 Br 0.87500000000000 0.14889601665753 0.96740955608295 79.904 > 41 49 Br 0.12500000000000 0.85110398334247 0.21740955608295 79.904 > 1 50 Br 0.37500000000000 0.85110398334247 0.21740955608295 79.904 > 1 51 Br 0.62500000000000 0.85110398334247 0.21740955608295 79.904 > 1 52 Br 0.87500000000000 0.85110398334247 0.21740955608295 79.904 > 1 53 Br 0.12500000000000 0.85110398334247 0.71740955608295 79.904 > 1 54 Br 0.37500000000000 0.85110398334247 0.71740955608295 79.904 > 1 55 Br 0.62500000000000 0.85110398334247 0.71740955608295 79.904 > 1 56 Br 0.87500000000000 0.85110398334247 0.71740955608295 79.904 > 1 57 Br 0.00000000000000 0.64889601665753 0.28259044391705 79.904 > 9 58 Br 0.25000000000000 0.64889601665753 0.28259044391705 79.904 > 9 59 Br 0.50000000000000 0.64889601665753 0.28259044391705 79.904 > 9 60 Br 0.75000000000000 0.64889601665753 0.28259044391705 79.904 > 9 61 Br 0.00000000000000 0.64889601665753 0.78259044391705 79.904 > 9 62 Br 0.25000000000000 0.64889601665753 0.78259044391705 79.904 > 9 63 Br 0.50000000000000 0.64889601665753 0.78259044391705 79.904 > 9 64 Br 0.75000000000000 0.64889601665753 0.78259044391705 79.904 > 9 65 Br 0.00000000000000 0.91443299105707 0.37500000000000 79.904 > 17 66 Br 0.25000000000000 0.91443299105707 0.37500000000000 79.904 > 17 67 Br 0.50000000000000 0.91443299105707 0.37500000000000 79.904 > 17 68 Br 0.75000000000000 0.91443299105707 0.37500000000000 79.904 > 17 69 Br 0.00000000000000 0.91443299105707 0.87500000000000 79.904 > 17 70 Br 0.25000000000000 0.91443299105707 0.87500000000000 79.904 > 17 71 Br 0.50000000000000 0.91443299105707 0.87500000000000 79.904 > 17 72 Br 0.75000000000000 0.91443299105707 0.87500000000000 79.904 > 17 73 Br 0.12500000000000 0.58556700894293 0.12500000000000 79.904 > 25 74 Br 0.37500000000000 0.58556700894293 0.12500000000000 79.904 > 25 75 Br 0.62500000000000 0.58556700894293 0.12500000000000 79.904 > 25 76 Br 0.87500000000000 0.58556700894293 0.12500000000000 79.904 > 25 77 Br 0.12500000000000 0.58556700894293 0.62500000000000 79.904 > 25 78 Br 0.37500000000000 0.58556700894293 0.62500000000000 79.904 > 25 79 Br 0.62500000000000 0.58556700894293 0.62500000000000 79.904 > 25 80 Br 0.87500000000000 0.58556700894293 0.62500000000000 79.904 > 25 81 Br 0.12500000000000 0.85110398334247 0.03259044391705 79.904 > 33 82 Br 0.37500000000000 0.85110398334247 0.03259044391705 79.904 > 33 83 Br 0.62500000000000 0.85110398334247 0.03259044391705 79.904 > 33 84 Br 0.87500000000000 0.85110398334247 0.03259044391705 79.904 > 33 85 Br 0.12500000000000 0.85110398334247 0.53259044391705 79.904 > 33 86 Br 0.37500000000000 0.85110398334247 0.53259044391705 79.904 > 33 87 Br 0.62500000000000 0.85110398334247 0.53259044391705 79.904 > 33 88 Br 0.87500000000000 0.85110398334247 0.53259044391705 79.904 > 33 89 Br 0.00000000000000 0.64889601665753 0.46740955608295 79.904 > 41 90 Br 0.25000000000000 0.64889601665753 0.46740955608295 79.904 > 41 91 Br 0.50000000000000 0.64889601665753 0.46740955608295 79.904 > 41 92 Br 0.75000000000000 0.64889601665753 0.46740955608295 79.904 > 41 93 Br 0.00000000000000 0.64889601665753 0.96740955608295 79.904 > 41 94 Br 0.25000000000000 0.64889601665753 0.96740955608295 79.904 > 41 95 Br 0.50000000000000 0.64889601665753 0.96740955608295 79.904 > 41 96 Br 0.75000000000000 0.64889601665753 0.96740955608295 79.904 > 41 97 Nd 0.12500000000000 0.24190518733868 0.12500000000000 144.242 > 97 98 Nd 0.37500000000000 0.24190518733868 0.12500000000000 144.242 > 97 99 Nd 0.62500000000000 0.24190518733868 0.12500000000000 144.242 > 97 100 Nd 0.87500000000000 0.24190518733868 0.12500000000000 144.242 > 97 101 Nd 0.12500000000000 0.24190518733868 0.62500000000000 144.242 > 97 102 Nd 0.37500000000000 0.24190518733868 0.62500000000000 144.242 > 97 103 Nd 0.62500000000000 0.24190518733868 0.62500000000000 144.242 > 97 104 Nd 0.87500000000000 0.24190518733868 0.62500000000000 144.242 > 97 105 Nd 0.00000000000000 0.25809481266132 0.37500000000000 144.242 > 105 106 Nd 0.25000000000000 0.25809481266132 0.37500000000000 144.242 > 105 107 Nd 0.50000000000000 0.25809481266132 0.37500000000000 144.242 > 105 108 Nd 0.75000000000000 0.25809481266132 0.37500000000000 144.242 > 105 109 Nd 0.00000000000000 0.25809481266132 0.87500000000000 144.242 > 105 110 Nd 0.25000000000000 0.25809481266132 0.87500000000000 144.242 > 105 111 Nd 0.50000000000000 0.25809481266132 0.87500000000000 144.242 > 105 112 Nd 0.75000000000000 0.25809481266132 0.87500000000000 144.242 > 105 113 Nd 0.00000000000000 0.74190518733868 0.12500000000000 144.242 > 97 114 Nd 0.25000000000000 0.74190518733868 0.12500000000000 144.242 > 97 115 Nd 0.50000000000000 0.74190518733868 0.12500000000000 144.242 > 97 116 Nd 0.75000000000000 0.74190518733868 0.12500000000000 144.242 > 97 117 Nd 0.00000000000000 0.74190518733868 0.62500000000000 144.242 > 97 118 Nd 0.25000000000000 0.74190518733868 0.62500000000000 144.242 > 97 119 Nd 0.50000000000000 0.74190518733868 0.62500000000000 144.242 > 97 120 Nd 0.75000000000000 0.74190518733868 0.62500000000000 144.242 > 97 121 Nd 0.12500000000000 0.75809481266132 0.37500000000000 144.242 > 105 122 Nd 0.37500000000000 0.75809481266132 0.37500000000000 144.242 > 105 123 Nd 0.62500000000000 0.75809481266132 0.37500000000000 144.242 > 105 124 Nd 0.87500000000000 0.75809481266132 0.37500000000000 144.242 > 105 125 Nd 0.12500000000000 0.75809481266132 0.87500000000000 144.242 > 105 126 Nd 0.37500000000000 0.75809481266132 0.87500000000000 144.242 > 105 127 Nd 0.62500000000000 0.75809481266132 0.87500000000000 144.242 > 105 128 Nd 0.87500000000000 0.75809481266132 0.87500000000000 144.242 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8704187 0.0000000 0.0000000 0.0000000 3.6601096 0.0000000 0.0000000 0.0000000 4.8410965 -------------------------- Born effective charges -------------------------- 1 Br -1.3607643 0.0000000 0.0000000 0.0000000 -0.5724119 -0.1346975 0.0000000 -0.0829810 -1.6278829 2 Br -1.3607643 0.0000000 0.0000000 0.0000000 -0.5724119 -0.1346975 0.0000000 -0.0829810 -1.6278829 3 Br -1.8875637 0.0000000 0.0000000 0.0000000 -1.1212391 0.0000000 0.0000000 0.0000000 -0.5713063 4 Br -1.8875637 0.0000000 0.0000000 0.0000000 -1.1212391 0.0000000 0.0000000 0.0000000 -0.5713063 5 Br -1.3607643 0.0000000 0.0000000 0.0000000 -0.5724119 0.1346975 0.0000000 0.0829810 -1.6278829 6 Br -1.3607643 0.0000000 0.0000000 0.0000000 -0.5724119 0.1346975 0.0000000 0.0829810 -1.6278829 7 Nd 4.6090922 0.0000000 0.0000000 0.0000000 2.2660628 0.0000000 0.0000000 0.0000000 3.8270720 8 Nd 4.6090922 0.0000000 0.0000000 0.0000000 2.2660628 0.0000000 0.0000000 0.0000000 3.8270720 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 6 ] 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: 0.67, Number of G-points: 295, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/196) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 196 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 1.550 ( 0.000 0.000 0.000) 0.000 1.909 ( 0.000 0.000 0.000) 0.000 2.014 ( 0.000 0.000 0.000) 0.000 2.158 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.630 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.393 ( 0.000 0.000 0.000) 0.000 3.470 ( 0.000 0.000 0.000) 0.000 3.522 ( 0.000 0.000 0.000) 0.000 3.876 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 4.231 ( 0.000 0.000 0.000) 0.000 4.369 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.896 ( 0.000 0.000 0.000) 0.000 4.903 ( 0.000 0.000 0.000) 0.000 5.068 ( 0.000 0.000 0.000) 0.000 5.292 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/196) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.205 ( 10.472 -2.525 0.000) 10.772 0.398 ( 20.764 -0.825 0.000) 20.781 0.660 ( 33.714 -1.452 0.000) 33.745 1.570 ( 2.126 0.272 0.000) 2.143 2.031 ( 12.028 -0.100 0.000) 12.028 2.043 ( 2.929 0.097 0.000) 2.930 2.166 ( 0.853 0.215 0.000) 0.880 2.540 ( -1.524 0.043 0.000) 1.525 2.651 ( 1.941 0.478 0.000) 1.999 2.699 ( -7.490 -0.361 0.000) 7.498 3.222 ( 2.348 -0.380 0.000) 2.379 3.288 ( 0.869 -0.153 0.000) 0.883 3.450 ( -3.580 1.396 0.000) 3.843 3.464 ( 6.586 -0.039 0.000) 6.586 3.478 ( -3.264 -0.265 0.000) 3.275 3.898 ( 2.123 0.107 0.000) 2.126 4.315 ( 7.952 0.160 0.000) 7.953 4.341 ( -2.928 -0.109 0.000) 2.930 4.522 ( -3.276 0.106 0.000) 3.278 4.846 ( -5.693 0.298 0.000) 5.700 4.890 ( -0.647 -0.040 0.000) 0.648 5.041 ( -3.013 -0.694 0.000) 3.092 5.170 ( 1.655 18.799 0.000) 18.872 5.774 ( -0.101 4.845 0.000) 4.846 ======================= Grid point 2 (3/196) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 11.975 -1.219 0.000) 12.037 0.795 ( 20.715 -0.730 0.000) 20.728 1.275 ( 29.780 -0.718 0.000) 29.789 1.629 ( 4.761 0.488 0.000) 4.786 2.104 ( 2.799 0.177 0.000) 2.805 2.188 ( 1.519 0.298 0.000) 1.548 2.316 ( 16.752 -0.014 0.000) 16.752 2.518 ( -0.200 0.168 0.000) 0.261 2.532 ( -9.142 -0.201 0.000) 9.144 2.689 ( 1.628 0.421 0.000) 1.681 3.272 ( 1.442 -0.740 0.000) 1.621 3.317 ( 2.157 -0.205 0.000) 2.167 3.366 ( -3.164 1.722 0.000) 3.602 3.433 ( -1.163 -1.109 0.000) 1.607 3.607 ( 7.861 -0.157 0.000) 7.863 3.943 ( 2.547 0.480 0.000) 2.592 4.262 ( -5.449 -0.179 0.000) 5.452 4.428 ( -4.561 0.863 0.000) 4.642 4.493 ( 8.113 -0.120 0.000) 8.114 4.693 ( -9.898 0.552 0.000) 9.913 4.872 ( -1.301 -0.081 0.000) 1.303 4.966 ( -5.188 -0.974 0.000) 5.279 5.050 ( -7.725 1.169 0.000) 7.813 5.744 ( 1.481 9.085 0.000) 9.205 ======================= Grid point 3 (4/196) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 13.036 0.930 0.000) 13.070 1.188 ( 20.356 -0.568 0.000) 20.364 1.645 ( 6.807 1.598 0.000) 6.992 1.874 ( 23.281 -0.372 0.000) 23.284 2.116 ( -1.808 0.029 0.000) 1.809 2.200 ( -1.249 0.508 0.000) 1.349 2.385 ( -4.725 -0.382 0.000) 4.740 2.563 ( 5.066 0.227 0.000) 5.071 2.625 ( 15.213 0.095 0.000) 15.213 2.698 ( -0.567 0.550 0.000) 0.790 3.261 ( -1.404 0.293 0.000) 1.434 3.319 ( -2.291 -1.686 0.000) 2.844 3.370 ( 3.137 -0.060 0.000) 3.138 3.479 ( 4.866 -0.501 0.000) 4.891 3.748 ( 6.630 -0.295 0.000) 6.636 3.981 ( 1.534 0.672 0.000) 1.674 4.142 ( -7.178 -0.193 0.000) 7.181 4.309 ( -6.890 -0.149 0.000) 6.892 4.481 ( -11.626 0.758 0.000) 11.651 4.594 ( -1.797 -0.565 0.000) 1.884 4.834 ( -2.040 0.167 0.000) 2.047 4.868 ( -5.038 -1.001 0.000) 5.136 4.933 ( -1.959 -1.545 0.000) 2.495 5.724 ( 1.481 8.220 0.000) 8.352 ======================= Grid point 4 (5/196) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 13.421 3.127 0.000) 13.780 1.567 ( 19.310 -0.359 0.000) 19.313 1.708 ( 1.721 1.948 0.000) 2.600 2.048 ( -4.847 -0.127 0.000) 4.849 2.112 ( -6.197 0.433 0.000) 6.212 2.294 ( 19.787 0.687 0.000) 19.799 2.393 ( 3.952 -0.445 0.000) 3.977 2.650 ( -2.226 0.366 0.000) 2.256 2.694 ( 6.131 0.424 0.000) 6.145 2.871 ( 10.332 0.299 0.000) 10.336 3.260 ( 1.719 -1.218 0.000) 2.107 3.301 ( -0.507 -2.199 0.000) 2.257 3.424 ( 2.358 0.266 0.000) 2.373 3.586 ( 5.478 -0.735 0.000) 5.527 3.848 ( 2.743 -0.497 0.000) 2.787 3.983 ( -1.368 0.211 0.000) 1.384 4.006 ( -6.360 -0.117 0.000) 6.361 4.184 ( -5.925 -0.190 0.000) 5.928 4.265 ( -10.116 0.866 0.000) 10.153 4.422 ( -13.687 -2.940 0.000) 13.999 4.765 ( -4.320 -0.294 0.000) 4.330 4.831 ( -1.291 0.472 0.000) 1.375 5.015 ( 8.417 0.316 0.000) 8.423 5.694 ( -0.535 5.690 0.000) 5.715 ======================= Grid point 5 (6/196) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 13.324 3.981 0.000) 13.906 1.683 ( -3.518 1.317 0.000) 3.757 1.915 ( 17.034 -0.133 0.000) 17.035 1.955 ( -4.494 0.017 0.000) 4.494 2.005 ( -4.476 0.116 0.000) 4.478 2.502 ( 6.933 -0.702 0.000) 6.969 2.561 ( -6.119 0.227 0.000) 6.123 2.605 ( 13.898 1.308 0.000) 13.960 2.801 ( 3.598 0.580 0.000) 3.645 2.987 ( 1.800 0.213 0.000) 1.812 3.339 ( 3.780 -1.302 0.000) 3.997 3.352 ( 6.213 -2.610 0.000) 6.739 3.453 ( 1.428 0.613 0.000) 1.554 3.676 ( 2.914 -1.395 0.000) 3.231 3.789 ( -7.834 -0.562 0.000) 7.854 3.915 ( -5.842 -0.857 0.000) 5.905 3.975 ( 1.783 -0.199 0.000) 1.794 4.101 ( -2.800 0.644 0.000) 2.873 4.109 ( -5.538 0.763 0.000) 5.590 4.192 ( -11.048 -1.889 0.000) 11.208 4.707 ( -1.879 -0.494 0.000) 1.943 4.791 ( -2.297 0.874 0.000) 2.458 5.190 ( 9.712 0.479 0.000) 9.724 5.629 ( -3.592 3.454 0.000) 4.984 ======================= Grid point 6 (7/196) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 11.834 2.792 0.000) 12.159 1.562 ( -8.540 -0.540 0.000) 8.557 1.893 ( -1.747 0.049 0.000) 1.747 1.947 ( -1.594 -0.009 0.000) 1.594 2.204 ( 13.235 0.031 0.000) 13.235 2.416 ( -9.232 0.024 0.000) 9.233 2.653 ( 8.014 -1.007 0.000) 8.077 2.789 ( -4.421 0.942 0.000) 4.521 2.817 ( 9.616 1.403 0.000) 9.718 2.952 ( -5.129 -0.884 0.000) 5.205 3.434 ( 4.859 0.142 0.000) 4.861 3.476 ( 3.282 -1.581 0.000) 3.643 3.504 ( 4.880 0.645 0.000) 4.922 3.635 ( -7.995 -0.556 0.000) 8.015 3.711 ( 1.258 -1.457 0.000) 1.925 3.796 ( -6.365 -0.301 0.000) 6.372 4.009 ( 1.343 -0.349 0.000) 1.388 4.041 ( -1.819 0.521 0.000) 1.892 4.054 ( -2.466 0.279 0.000) 2.482 4.066 ( -1.900 -0.038 0.000) 1.900 4.701 ( 0.802 -0.873 0.000) 1.185 4.740 ( -2.304 1.065 0.000) 2.539 5.365 ( 8.694 -0.406 0.000) 8.703 5.517 ( -6.550 1.762 0.000) 6.782 ======================= Grid point 14 (8/196) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 12.741 0.000 0.000) 12.741 0.790 ( 20.863 0.000 0.000) 20.863 1.271 ( 30.286 0.000 0.000) 30.286 1.632 ( 4.673 0.000 0.000) 4.673 2.105 ( 2.788 0.000 0.000) 2.788 2.189 ( 1.483 0.000 0.000) 1.483 2.316 ( 16.791 0.000 0.000) 16.791 2.519 ( -0.041 -0.000 0.000) 0.041 2.531 ( -9.322 -0.000 0.000) 9.322 2.692 ( 1.653 0.000 0.000) 1.653 3.267 ( 1.662 0.000 0.000) 1.662 3.316 ( 2.198 0.000 0.000) 2.198 3.379 ( -4.413 -0.000 0.000) 4.413 3.424 ( -0.584 -0.000 0.000) 0.584 3.606 ( 7.841 0.000 0.000) 7.841 3.946 ( 2.581 0.000 0.000) 2.581 4.261 ( -5.435 -0.000 0.000) 5.435 4.434 ( -5.914 -0.000 0.000) 5.914 4.492 ( 9.441 0.000 0.000) 9.441 4.697 ( -9.906 -0.000 0.000) 9.906 4.872 ( -1.286 -0.000 0.000) 1.286 4.960 ( -5.054 -0.000 0.000) 5.054 5.056 ( -10.502 -0.000 0.000) 10.502 5.803 ( 0.439 0.000 0.000) 0.439 ======================= Grid point 15 (9/196) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 13.944 0.366 0.000) 13.948 1.183 ( 20.506 -0.203 0.000) 20.507 1.658 ( 6.958 0.576 0.000) 6.981 1.871 ( 23.677 -0.139 0.000) 23.678 2.116 ( -1.926 0.019 0.000) 1.926 2.204 ( -1.191 0.170 0.000) 1.203 2.382 ( -4.784 -0.135 0.000) 4.786 2.564 ( 5.075 0.081 0.000) 5.075 2.626 ( 15.224 0.016 0.000) 15.224 2.702 ( -0.624 0.200 0.000) 0.655 3.266 ( -1.173 0.406 0.000) 1.241 3.303 ( -3.249 -0.912 0.000) 3.374 3.369 ( 3.253 -0.021 0.000) 3.253 3.474 ( 4.913 -0.220 0.000) 4.918 3.746 ( 6.600 -0.108 0.000) 6.600 3.986 ( 1.444 0.240 0.000) 1.464 4.140 ( -7.146 -0.066 0.000) 7.146 4.308 ( -7.077 -0.046 0.000) 7.077 4.487 ( -11.644 0.271 0.000) 11.647 4.589 ( -3.428 -0.270 0.000) 3.439 4.837 ( -0.886 0.232 0.000) 0.916 4.859 ( -5.353 -0.502 0.000) 5.377 4.921 ( -1.042 -0.508 0.000) 1.160 5.792 ( -0.501 3.098 0.000) 3.138 ======================= Grid point 16 (10/196) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 13.971 1.724 0.000) 14.077 1.564 ( 19.452 -0.198 0.000) 19.453 1.726 ( 1.558 1.092 0.000) 1.902 2.047 ( -4.811 -0.050 0.000) 4.811 2.115 ( -6.394 0.213 0.000) 6.397 2.301 ( 20.225 0.416 0.000) 20.230 2.388 ( 3.937 -0.248 0.000) 3.945 2.653 ( -2.156 0.206 0.000) 2.165 2.698 ( 5.983 0.244 0.000) 5.988 2.873 ( 10.459 0.115 0.000) 10.460 3.252 ( 0.850 -0.168 0.000) 0.867 3.277 ( -0.273 -1.765 0.000) 1.786 3.427 ( 2.528 0.156 0.000) 2.533 3.579 ( 5.323 -0.458 0.000) 5.343 3.843 ( 2.636 -0.284 0.000) 2.652 3.985 ( -1.936 0.081 0.000) 1.938 4.005 ( -6.268 -0.059 0.000) 6.268 4.183 ( -5.580 -0.064 0.000) 5.580 4.273 ( -10.185 0.479 0.000) 10.196 4.395 ( -13.501 -1.635 0.000) 13.599 4.762 ( -4.370 -0.158 0.000) 4.373 4.834 ( -1.130 0.180 0.000) 1.144 5.019 ( 8.909 0.263 0.000) 8.913 5.748 ( -2.268 3.255 0.000) 3.967 ======================= Grid point 17 (11/196) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 12.997 2.705 0.000) 13.276 1.696 ( -4.320 0.921 0.000) 4.417 1.914 ( 17.142 -0.094 0.000) 17.143 1.956 ( -4.368 0.077 0.000) 4.368 2.006 ( -4.655 0.010 0.000) 4.655 2.495 ( 6.791 -0.490 0.000) 6.809 2.563 ( -6.258 0.162 0.000) 6.261 2.619 ( 14.037 1.010 0.000) 14.073 2.807 ( 3.741 0.411 0.000) 3.763 2.989 ( 1.303 0.108 0.000) 1.307 3.323 ( 5.223 -1.727 0.000) 5.502 3.329 ( 5.723 -1.062 0.000) 5.821 3.460 ( 1.536 0.452 0.000) 1.601 3.662 ( 2.524 -1.038 0.000) 2.729 3.783 ( -7.779 -0.406 0.000) 7.789 3.906 ( -6.001 -0.616 0.000) 6.033 3.973 ( 1.671 -0.140 0.000) 1.677 4.107 ( -2.615 0.465 0.000) 2.656 4.117 ( -5.691 0.528 0.000) 5.716 4.173 ( -9.909 -1.301 0.000) 9.994 4.702 ( -2.024 -0.332 0.000) 2.051 4.800 ( -2.168 0.536 0.000) 2.233 5.195 ( 9.418 0.379 0.000) 9.425 5.665 ( -4.806 2.460 0.000) 5.399 ======================= Grid point 18 (12/196) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 10.645 2.332 0.000) 10.898 1.555 ( -9.895 -0.624 0.000) 9.914 1.894 ( -1.745 0.158 0.000) 1.752 1.946 ( -1.646 -0.140 0.000) 1.651 2.204 ( 13.286 0.042 0.000) 13.286 2.416 ( -9.333 0.018 0.000) 9.333 2.642 ( 7.950 -0.824 0.000) 7.992 2.800 ( -4.284 0.772 0.000) 4.353 2.833 ( 9.513 1.236 0.000) 9.593 2.942 ( -5.642 -0.769 0.000) 5.694 3.436 ( 5.240 0.058 0.000) 5.240 3.460 ( 4.784 -1.049 0.000) 4.898 3.512 ( 4.847 0.607 0.000) 4.885 3.628 ( -8.048 -0.524 0.000) 8.065 3.695 ( 1.920 -1.315 0.000) 2.327 3.793 ( -5.630 -0.331 0.000) 5.640 4.005 ( 1.304 -0.290 0.000) 1.336 4.046 ( -1.992 0.419 0.000) 2.036 4.056 ( -2.757 0.056 0.000) 2.758 4.067 ( -1.526 0.157 0.000) 1.534 4.692 ( 0.602 -0.726 0.000) 0.943 4.751 ( -2.318 0.843 0.000) 2.467 5.361 ( 8.019 -0.318 0.000) 8.025 5.537 ( -7.446 1.469 0.000) 7.589 ======================= Grid point 19 (13/196) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -13.318 -2.671 0.000) 13.584 1.568 ( 7.303 0.356 0.000) 7.312 1.893 ( 1.741 0.089 0.000) 1.744 1.946 ( 1.542 -0.143 0.000) 1.548 2.203 ( -13.192 -0.010 0.000) 13.192 2.416 ( 9.136 -0.024 0.000) 9.136 2.665 ( -8.091 0.968 0.000) 8.148 2.778 ( 4.578 -0.904 0.000) 4.666 2.802 ( -9.669 -1.243 0.000) 9.749 2.962 ( 4.507 0.783 0.000) 4.575 3.434 ( -3.990 0.040 0.000) 3.990 3.495 ( -2.351 1.548 0.000) 2.815 3.497 ( -4.995 -0.543 0.000) 5.024 3.641 ( 8.023 0.471 0.000) 8.036 3.728 ( -0.412 1.323 0.000) 1.386 3.799 ( 7.274 0.122 0.000) 7.275 4.013 ( -1.358 0.338 0.000) 1.400 4.035 ( 1.608 -0.516 0.000) 1.689 4.051 ( 1.612 -0.349 0.000) 1.650 4.067 ( 2.767 0.153 0.000) 2.771 4.711 ( -0.897 0.768 0.000) 1.181 4.727 ( 2.155 -1.001 0.000) 2.376 5.370 ( -9.396 0.406 0.000) 9.405 5.497 ( 5.594 -1.650 0.000) 5.832 ======================= Grid point 20 (14/196) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -13.769 -4.459 0.000) 14.473 1.667 ( 2.588 -1.422 0.000) 2.952 1.917 ( -16.850 0.138 0.000) 16.851 1.955 ( 4.593 0.115 0.000) 4.594 2.003 ( 4.256 -0.265 0.000) 4.264 2.511 ( -7.105 0.759 0.000) 7.145 2.558 ( 5.949 -0.242 0.000) 5.954 2.589 ( -13.746 -1.273 0.000) 13.805 2.794 ( -3.420 -0.616 0.000) 3.475 2.984 ( -2.363 -0.286 0.000) 2.381 3.356 ( -3.052 1.434 0.000) 3.372 3.384 ( -5.896 2.707 0.000) 6.487 3.446 ( -1.310 -0.623 0.000) 1.451 3.693 ( -3.406 1.397 0.000) 3.681 3.796 ( 7.921 0.590 0.000) 7.943 3.926 ( 5.556 0.891 0.000) 5.627 3.978 ( -1.919 0.213 0.000) 1.930 4.093 ( 3.139 -0.694 0.000) 3.215 4.100 ( 5.348 -0.836 0.000) 5.413 4.216 ( 12.468 2.107 0.000) 12.645 4.713 ( 1.719 0.573 0.000) 1.812 4.780 ( 2.374 -1.103 0.000) 2.617 5.184 ( -10.016 -0.434 0.000) 10.025 5.587 ( 2.139 -3.656 0.000) 4.236 ======================= Grid point 21 (15/196) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -12.500 -3.882 0.000) 13.089 1.572 ( -19.107 0.448 0.000) 19.112 1.682 ( -1.976 -2.379 0.000) 3.093 2.050 ( 4.890 0.243 0.000) 4.896 2.105 ( 5.925 -0.644 0.000) 5.960 2.285 ( -19.226 -0.781 0.000) 19.242 2.399 ( -3.976 0.545 0.000) 4.013 2.645 ( 2.309 -0.445 0.000) 2.351 2.689 ( -6.319 -0.498 0.000) 6.339 2.866 ( -10.186 -0.478 0.000) 10.197 3.280 ( -2.503 1.994 0.000) 3.200 3.327 ( 0.430 2.130 0.000) 2.173 3.421 ( -2.120 -0.306 0.000) 2.142 3.595 ( -5.749 0.736 0.000) 5.796 3.854 ( -2.905 0.590 0.000) 2.964 3.980 ( 0.617 -0.376 0.000) 0.722 4.007 ( 6.508 0.167 0.000) 6.510 4.188 ( 6.367 0.347 0.000) 6.377 4.253 ( 10.018 -1.077 0.000) 10.076 4.462 ( 13.859 3.649 0.000) 14.331 4.769 ( 4.184 0.363 0.000) 4.199 4.823 ( 1.546 -0.831 0.000) 1.755 5.012 ( -7.520 -0.090 0.000) 7.520 5.620 ( -1.808 -6.780 0.000) 7.017 ======================= Grid point 22 (16/196) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -11.216 -0.989 0.000) 11.259 1.196 ( -20.091 0.815 0.000) 20.108 1.622 ( -6.527 -2.284 0.000) 6.915 1.879 ( -22.625 0.460 0.000) 22.630 2.116 ( 1.622 0.029 0.000) 1.622 2.192 ( 1.314 -0.823 0.000) 1.550 2.391 ( 4.649 0.559 0.000) 4.683 2.559 ( -5.057 -0.325 0.000) 5.068 2.623 ( -15.176 -0.240 0.000) 15.178 2.690 ( 0.466 -0.766 0.000) 0.897 3.261 ( 0.928 0.304 0.000) 0.976 3.339 ( 1.521 1.661 0.000) 2.253 3.371 ( -2.934 0.093 0.000) 2.936 3.485 ( -4.946 0.415 0.000) 4.964 3.752 ( -6.682 0.403 0.000) 6.694 3.971 ( -1.674 -0.972 0.000) 1.936 4.145 ( 7.235 0.299 0.000) 7.241 4.311 ( 6.556 0.260 0.000) 6.561 4.470 ( 11.598 -1.091 0.000) 11.650 4.600 ( -0.936 0.347 0.000) 0.998 4.834 ( 3.011 0.214 0.000) 3.019 4.881 ( 5.444 1.175 0.000) 5.570 4.957 ( 3.426 2.585 0.000) 4.292 5.609 ( -4.209 -10.849 0.000) 11.637 ======================= Grid point 23 (17/196) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -9.828 2.646 0.000) 10.178 0.807 ( -20.315 1.289 0.000) 20.356 1.286 ( -28.369 1.095 0.000) 28.390 1.622 ( -5.031 -0.777 0.000) 5.091 2.102 ( -2.831 -0.239 0.000) 2.841 2.182 ( -1.611 -0.627 0.000) 1.728 2.316 ( -16.642 -0.038 0.000) 16.642 2.515 ( 0.368 -0.296 0.000) 0.472 2.535 ( 8.915 0.381 0.000) 8.923 2.682 ( -1.567 -0.752 0.000) 1.738 3.281 ( -0.687 0.706 0.000) 0.985 3.321 ( -2.043 0.364 0.000) 2.075 3.346 ( 1.020 -1.497 0.000) 1.811 3.444 ( 1.199 0.553 0.000) 1.320 3.610 ( -7.915 0.271 0.000) 7.920 3.935 ( -2.449 -0.844 0.000) 2.591 4.265 ( 5.486 0.332 0.000) 5.496 4.416 ( 2.582 -1.074 0.000) 2.796 4.492 ( -6.393 -0.447 0.000) 6.409 4.684 ( 9.877 -0.988 0.000) 9.926 4.874 ( 1.247 0.148 0.000) 1.256 4.981 ( 5.178 1.363 0.000) 5.355 5.026 ( -0.176 -2.775 0.000) 2.780 5.621 ( -0.190 -10.555 0.000) 10.557 ======================= Grid point 24 (18/196) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.259 ( -7.530 6.303 0.000) 9.820 0.416 ( -19.802 2.199 0.000) 19.924 0.692 ( -31.765 3.683 0.000) 31.978 1.564 ( -2.026 -0.625 0.000) 2.120 2.033 ( -11.927 0.229 0.000) 11.929 2.041 ( -2.929 -0.235 0.000) 2.939 2.161 ( -0.912 -0.631 0.000) 1.109 2.539 ( 1.571 -0.142 0.000) 1.577 2.642 ( -1.596 -1.026 0.000) 1.897 2.706 ( 7.169 0.721 0.000) 7.205 3.228 ( -2.720 0.484 0.000) 2.762 3.291 ( -0.836 0.423 0.000) 0.937 3.424 ( 4.331 -2.698 0.000) 5.103 3.465 ( -6.645 0.107 0.000) 6.646 3.478 ( 1.593 -0.411 0.000) 1.645 3.896 ( -1.875 -0.342 0.000) 1.906 4.312 ( -7.381 -0.336 0.000) 7.389 4.343 ( 2.944 0.310 0.000) 2.960 4.513 ( 1.447 -2.384 0.000) 2.789 4.840 ( 5.677 -0.829 0.000) 5.738 4.846 ( -26.922 -24.447 0.000) 36.365 4.898 ( -2.860 -2.594 0.000) 3.862 5.057 ( 3.138 2.011 0.000) 3.727 5.727 ( 6.340 -2.295 0.000) 6.743 ======================= Grid point 25 (19/196) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.088 ( -0.000 7.407 0.000) 7.407 0.115 ( -0.000 9.671 0.000) 9.671 0.160 ( -0.000 13.358 0.000) 13.358 1.549 ( 0.000 -0.238 0.000) 0.238 1.910 ( -0.000 0.247 0.000) 0.247 2.012 ( 0.000 -0.181 0.000) 0.181 2.155 ( 0.000 -0.475 0.000) 0.475 2.558 ( 0.000 -0.009 0.000) 0.009 2.625 ( 0.000 -0.745 0.000) 0.745 2.783 ( -0.000 0.523 0.000) 0.523 3.195 ( 0.000 -0.483 0.000) 0.483 3.282 ( -0.000 0.323 0.000) 0.323 3.393 ( -0.000 0.008 0.000) 0.008 3.466 ( 0.000 -0.537 0.000) 0.537 3.518 ( 0.000 -2.726 0.000) 2.726 3.877 ( -0.000 0.118 0.000) 0.118 3.960 ( -0.000 0.182 0.000) 0.182 4.232 ( -0.000 0.261 0.000) 0.261 4.370 ( -0.000 0.227 0.000) 0.227 4.560 ( -0.000 0.790 0.000) 0.790 4.898 ( -0.000 0.214 0.000) 0.214 4.899 ( 0.000 -0.594 0.000) 0.594 5.077 ( -0.000 1.531 0.000) 1.531 5.824 ( -0.000 0.063 0.000) 0.063 ======================= Grid point 28 (20/196) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 14.153 0.000 0.000) 14.153 1.563 ( 19.503 0.000 0.000) 19.503 1.733 ( 1.502 0.000 0.000) 1.502 2.046 ( -4.796 -0.000 0.000) 4.796 2.117 ( -6.466 -0.000 0.000) 6.466 2.303 ( 20.391 0.000 0.000) 20.391 2.387 ( 3.932 0.000 0.000) 3.932 2.654 ( -2.128 -0.000 0.000) 2.128 2.700 ( 5.927 0.000 0.000) 5.927 2.874 ( 10.509 0.000 0.000) 10.509 3.254 ( 0.148 0.000 0.000) 0.148 3.264 ( 0.197 0.000 0.000) 0.197 3.428 ( 2.590 0.000 0.000) 2.590 3.576 ( 5.274 0.000 0.000) 5.274 3.841 ( 2.599 0.000 0.000) 2.599 3.985 ( -2.147 -0.000 0.000) 2.147 4.004 ( -6.237 -0.000 0.000) 6.237 4.183 ( -5.449 -0.000 0.000) 5.449 4.276 ( -10.209 -0.000 0.000) 10.209 4.385 ( -13.424 -0.000 0.000) 13.424 4.761 ( -4.384 -0.000 0.000) 4.384 4.835 ( -1.067 -0.000 0.000) 1.067 5.020 ( 9.060 0.000 0.000) 9.060 5.767 ( -2.912 -0.000 0.000) 2.912 ======================= Grid point 29 (21/196) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 12.829 0.953 0.000) 12.865 1.704 ( -4.786 0.330 0.000) 4.797 1.913 ( 17.197 -0.034 0.000) 17.197 1.956 ( -4.286 0.041 0.000) 4.287 2.006 ( -4.757 -0.011 0.000) 4.757 2.491 ( 6.710 -0.176 0.000) 6.713 2.565 ( -6.337 0.059 0.000) 6.337 2.627 ( 14.119 0.385 0.000) 14.124 2.811 ( 3.819 0.148 0.000) 3.822 2.990 ( 1.015 0.028 0.000) 1.015 3.307 ( 5.899 -0.712 0.000) 5.942 3.321 ( 5.623 -0.299 0.000) 5.631 3.463 ( 1.603 0.167 0.000) 1.612 3.653 ( 2.307 -0.385 0.000) 2.339 3.780 ( -7.754 -0.148 0.000) 7.756 3.901 ( -6.067 -0.223 0.000) 6.071 3.972 ( 1.607 -0.050 0.000) 1.608 4.111 ( -2.539 0.175 0.000) 2.545 4.121 ( -5.776 0.188 0.000) 5.780 4.162 ( -9.285 -0.468 0.000) 9.296 4.699 ( -2.108 -0.116 0.000) 2.111 4.804 ( -2.074 0.177 0.000) 2.082 5.198 ( 9.237 0.144 0.000) 9.238 5.685 ( -5.498 0.890 0.000) 5.570 ======================= Grid point 30 (22/196) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 10.080 1.363 0.000) 10.172 1.549 ( -11.124 -0.461 0.000) 11.133 1.896 ( -1.738 0.147 0.000) 1.745 1.944 ( -1.684 -0.142 0.000) 1.690 2.204 ( 13.328 0.030 0.000) 13.328 2.416 ( -9.411 0.010 0.000) 9.411 2.635 ( 7.904 -0.462 0.000) 7.917 2.807 ( -4.188 0.433 0.000) 4.211 2.845 ( 9.400 0.731 0.000) 9.428 2.935 ( -5.961 -0.447 0.000) 5.978 3.434 ( 4.835 -0.326 0.000) 4.846 3.454 ( 6.652 -0.144 0.000) 6.654 3.518 ( 4.905 0.382 0.000) 4.920 3.623 ( -8.169 -0.332 0.000) 8.176 3.682 ( 2.281 -0.808 0.000) 2.420 3.789 ( -5.156 -0.208 0.000) 5.161 4.003 ( 1.267 -0.165 0.000) 1.278 4.050 ( -2.106 0.232 0.000) 2.118 4.056 ( -2.410 -0.026 0.000) 2.411 4.069 ( -1.777 0.149 0.000) 1.784 4.685 ( 0.440 -0.409 0.000) 0.601 4.759 ( -2.298 0.459 0.000) 2.344 5.358 ( 7.532 -0.171 0.000) 7.534 5.551 ( -8.080 0.833 0.000) 8.122 ======================= Grid point 31 (23/196) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -14.647 -1.938 0.000) 14.775 1.571 ( 6.354 0.180 0.000) 6.356 1.895 ( 1.732 0.154 0.000) 1.739 1.944 ( 1.499 -0.202 0.000) 1.513 2.203 ( -13.164 0.004 0.000) 13.164 2.415 ( 9.064 -0.018 0.000) 9.064 2.675 ( -8.178 0.704 0.000) 8.208 2.769 ( 4.733 -0.658 0.000) 4.779 2.789 ( -9.680 -0.841 0.000) 9.716 2.970 ( 3.936 0.522 0.000) 3.970 3.435 ( -3.179 0.151 0.000) 3.183 3.492 ( -5.126 -0.355 0.000) 5.139 3.511 ( -1.828 1.113 0.000) 2.140 3.646 ( 8.084 0.311 0.000) 8.090 3.742 ( 0.343 0.974 0.000) 1.033 3.799 ( 8.196 -0.076 0.000) 8.196 4.017 ( -1.347 0.274 0.000) 1.375 4.029 ( 1.408 -0.410 0.000) 1.467 4.047 ( 0.869 -0.254 0.000) 0.905 4.069 ( 3.464 0.141 0.000) 3.467 4.714 ( 1.596 -0.532 0.000) 1.682 4.722 ( -0.555 0.335 0.000) 0.649 5.375 ( -9.968 0.301 0.000) 9.972 5.480 ( 4.798 -1.165 0.000) 4.937 ======================= Grid point 32 (24/196) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -14.246 -3.897 0.000) 14.770 1.651 ( 1.745 -1.196 0.000) 2.116 1.918 ( -16.577 0.108 0.000) 16.577 1.958 ( 4.602 0.239 0.000) 4.608 1.999 ( 4.027 -0.367 0.000) 4.044 2.520 ( -7.275 0.644 0.000) 7.303 2.556 ( 5.797 -0.205 0.000) 5.800 2.576 ( -13.624 -0.986 0.000) 13.659 2.788 ( -3.245 -0.510 0.000) 3.285 2.981 ( -2.853 -0.273 0.000) 2.866 3.372 ( -2.424 1.252 0.000) 2.728 3.413 ( -5.626 2.184 0.000) 6.035 3.439 ( -1.212 -0.498 0.000) 1.310 3.708 ( -3.903 1.095 0.000) 4.054 3.802 ( 8.024 0.488 0.000) 8.039 3.935 ( 5.154 0.716 0.000) 5.204 3.980 ( -2.050 0.180 0.000) 2.057 4.085 ( 3.609 -0.589 0.000) 3.657 4.090 ( 5.163 -0.717 0.000) 5.212 4.239 ( 13.863 1.840 0.000) 13.984 4.720 ( 1.604 0.557 0.000) 1.697 4.766 ( 2.335 -1.101 0.000) 2.581 5.180 ( -10.242 -0.297 0.000) 10.246 5.547 ( 0.773 -3.029 0.000) 3.126 ======================= Grid point 33 (25/196) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -11.273 -3.749 0.000) 11.880 1.577 ( -18.886 0.438 0.000) 18.891 1.654 ( -2.285 -2.274 0.000) 3.224 2.054 ( 4.932 0.399 0.000) 4.948 2.097 ( 5.637 -0.809 0.000) 5.694 2.276 ( -18.709 -0.725 0.000) 18.723 2.405 ( -4.004 0.523 0.000) 4.038 2.640 ( 2.372 -0.424 0.000) 2.410 2.683 ( -6.491 -0.454 0.000) 6.507 2.860 ( -10.074 -0.530 0.000) 10.088 3.305 ( -3.081 2.255 0.000) 3.818 3.349 ( 0.163 1.666 0.000) 1.674 3.418 ( -1.871 -0.275 0.000) 1.891 3.603 ( -6.136 0.511 0.000) 6.157 3.861 ( -3.093 0.546 0.000) 3.141 3.974 ( -0.107 -0.479 0.000) 0.491 4.009 ( 6.690 0.189 0.000) 6.693 4.192 ( 6.776 0.431 0.000) 6.790 4.241 ( 9.910 -1.053 0.000) 9.966 4.505 ( 13.874 3.570 0.000) 14.326 4.773 ( 3.785 0.309 0.000) 3.797 4.812 ( 2.101 -1.013 0.000) 2.333 5.013 ( -6.269 0.262 0.000) 6.274 5.541 ( -4.248 -6.380 0.000) 7.665 ======================= Grid point 34 (26/196) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -8.564 -0.448 0.000) 8.576 1.206 ( -19.775 0.884 0.000) 19.795 1.594 ( -6.216 -2.512 0.000) 6.705 1.884 ( -21.904 0.355 0.000) 21.907 2.117 ( 1.433 0.171 0.000) 1.443 2.181 ( 1.328 -1.056 0.000) 1.697 2.398 ( 4.604 0.619 0.000) 4.646 2.555 ( -5.061 -0.352 0.000) 5.073 2.620 ( -15.107 -0.357 0.000) 15.111 2.681 ( 0.342 -0.802 0.000) 0.872 3.268 ( 0.067 0.866 0.000) 0.868 3.357 ( 0.945 1.317 0.000) 1.621 3.372 ( -2.694 0.108 0.000) 2.696 3.487 ( -5.300 -0.017 0.000) 5.300 3.757 ( -6.745 0.413 0.000) 6.757 3.958 ( -1.815 -1.071 0.000) 2.108 4.149 ( 7.302 0.356 0.000) 7.311 4.315 ( 6.148 0.333 0.000) 6.157 4.457 ( 11.570 -1.193 0.000) 11.631 4.601 ( -3.731 -0.152 0.000) 3.734 4.839 ( 3.540 0.533 0.000) 3.580 4.895 ( 6.211 1.175 0.000) 6.321 4.993 ( 4.865 3.531 0.000) 6.011 5.479 ( -6.361 -10.982 0.000) 12.691 ======================= Grid point 35 (27/196) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -6.734 4.233 0.000) 7.954 0.824 ( -19.776 1.552 0.000) 19.837 1.298 ( -26.403 0.837 0.000) 26.416 1.612 ( -5.499 -0.797 0.000) 5.556 2.099 ( -2.876 -0.135 0.000) 2.879 2.173 ( -1.718 -0.950 0.000) 1.963 2.315 ( -16.474 -0.122 0.000) 16.475 2.511 ( 0.355 -0.367 0.000) 0.511 2.541 ( 8.860 0.527 0.000) 8.876 2.672 ( -1.516 -0.930 0.000) 1.778 3.286 ( 0.482 -0.051 0.000) 0.485 3.325 ( -1.886 0.441 0.000) 1.937 3.334 ( -1.804 -0.573 0.000) 1.893 3.445 ( 0.750 -0.360 0.000) 0.832 3.613 ( -7.988 0.316 0.000) 7.995 3.924 ( -2.314 -1.024 0.000) 2.530 4.269 ( 5.536 0.432 0.000) 5.553 4.404 ( 1.303 -0.929 0.000) 1.601 4.481 ( -6.006 -1.266 0.000) 6.138 4.671 ( 9.852 -1.211 0.000) 9.926 4.875 ( 0.680 0.083 0.000) 0.685 4.968 ( -8.897 -4.372 0.000) 9.913 5.014 ( 4.147 1.646 0.000) 4.462 5.520 ( 6.345 -6.265 0.000) 8.917 ======================= Grid point 36 (28/196) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( -4.483 8.434 0.000) 9.551 0.447 ( -18.356 2.920 0.000) 18.587 0.740 ( -29.134 4.193 0.000) 29.434 1.556 ( -1.770 -0.718 0.000) 1.910 2.036 ( -11.743 0.270 0.000) 11.746 2.038 ( -2.937 -0.236 0.000) 2.946 2.151 ( -1.002 -0.989 0.000) 1.408 2.536 ( 1.657 -0.262 0.000) 1.677 2.629 ( -1.632 -1.102 0.000) 1.969 2.715 ( 7.231 0.728 0.000) 7.268 3.231 ( -3.590 -0.173 0.000) 3.594 3.297 ( -0.776 0.596 0.000) 0.978 3.390 ( 4.049 -3.122 0.000) 5.113 3.466 ( -6.747 0.148 0.000) 6.749 3.469 ( 0.376 -1.186 0.000) 1.244 3.890 ( -1.575 -0.602 0.000) 1.686 4.308 ( -6.580 -0.289 0.000) 6.586 4.348 ( 2.972 0.459 0.000) 3.007 4.431 ( -15.904 -11.470 0.000) 19.609 4.648 ( -18.299 -6.781 0.000) 19.515 4.828 ( 5.653 -1.176 0.000) 5.774 4.898 ( 0.519 0.335 0.000) 0.618 5.087 ( 3.469 2.965 0.000) 4.564 5.714 ( 9.824 -0.321 0.000) 9.829 ======================= Grid point 37 (29/196) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.172 ( -0.000 6.796 0.000) 6.796 0.225 ( -0.000 8.879 0.000) 8.879 0.310 ( -0.000 12.264 0.000) 12.264 1.545 ( 0.000 -0.393 0.000) 0.393 1.914 ( -0.000 0.438 0.000) 0.438 2.010 ( 0.000 -0.264 0.000) 0.264 2.147 ( 0.000 -0.894 0.000) 0.894 2.558 ( 0.000 -0.016 0.000) 0.016 2.613 ( 0.000 -1.235 0.000) 1.235 2.791 ( -0.000 0.828 0.000) 0.828 3.187 ( 0.000 -0.854 0.000) 0.854 3.287 ( -0.000 0.571 0.000) 0.571 3.393 ( -0.000 0.014 0.000) 0.014 3.458 ( 0.000 -0.948 0.000) 0.948 3.475 ( 0.000 -4.375 0.000) 4.375 3.877 ( 0.000 -0.150 0.000) 0.150 3.963 ( -0.000 0.319 0.000) 0.319 4.236 ( -0.000 0.453 0.000) 0.453 4.374 ( -0.000 0.417 0.000) 0.417 4.572 ( -0.000 1.207 0.000) 1.207 4.889 ( 0.000 -1.054 0.000) 1.054 4.901 ( -0.000 0.362 0.000) 0.362 5.103 ( -0.000 2.822 0.000) 2.822 5.825 ( -0.000 0.084 0.000) 0.084 ======================= Grid point 42 (30/196) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 9.996 0.000 0.000) 9.996 1.546 ( -11.685 -0.000 0.000) 11.685 1.897 ( -1.734 -0.000 0.000) 1.734 1.943 ( -1.699 -0.000 0.000) 1.699 2.205 ( 13.344 0.000 0.000) 13.344 2.416 ( -9.440 -0.000 0.000) 9.440 2.632 ( 7.887 0.000 0.000) 7.887 2.809 ( -4.154 -0.000 0.000) 4.154 2.849 ( 9.349 0.000 0.000) 9.349 2.932 ( -6.068 -0.000 0.000) 6.068 3.432 ( 4.806 0.000 0.000) 4.806 3.453 ( 7.240 0.000 0.000) 7.240 3.520 ( 4.953 0.000 0.000) 4.953 3.621 ( -8.240 -0.000 0.000) 8.240 3.677 ( 2.383 0.000 0.000) 2.383 3.788 ( -4.992 -0.000 0.000) 4.992 4.002 ( 1.253 0.000 0.000) 1.253 4.052 ( -2.145 -0.000 0.000) 2.145 4.056 ( -2.235 -0.000 0.000) 2.235 4.070 ( -1.911 -0.000 0.000) 1.911 4.683 ( 0.379 0.000 0.000) 0.379 4.762 ( -2.286 -0.000 0.000) 2.286 5.357 ( 7.355 0.000 0.000) 7.355 5.555 ( -8.308 -0.000 0.000) 8.308 ======================= Grid point 43 (31/196) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -15.428 -0.710 0.000) 15.445 1.572 ( 5.837 0.052 0.000) 5.838 1.896 ( 1.726 0.079 0.000) 1.728 1.942 ( 1.476 -0.098 0.000) 1.479 2.203 ( -13.152 0.004 0.000) 13.152 2.415 ( 9.026 -0.007 0.000) 9.026 2.681 ( -8.252 0.260 0.000) 8.256 2.764 ( 4.847 -0.243 0.000) 4.853 2.782 ( -9.675 -0.296 0.000) 9.680 2.974 ( 3.593 0.181 0.000) 3.598 3.437 ( -2.707 0.081 0.000) 2.708 3.489 ( -5.210 -0.123 0.000) 5.212 3.520 ( -1.617 0.404 0.000) 1.667 3.648 ( 8.130 0.108 0.000) 8.130 3.750 ( 0.725 0.379 0.000) 0.818 3.798 ( 8.855 -0.082 0.000) 8.855 4.019 ( -1.492 0.151 0.000) 1.499 4.025 ( 1.445 -0.202 0.000) 1.459 4.045 ( 0.446 -0.090 0.000) 0.455 4.070 ( 3.841 0.056 0.000) 3.842 4.709 ( 2.057 -0.276 0.000) 2.076 4.726 ( -1.146 0.199 0.000) 1.163 5.377 ( -10.286 0.111 0.000) 10.287 5.471 ( 4.346 -0.420 0.000) 4.367 ======================= Grid point 44 (32/196) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -14.626 -2.290 0.000) 14.804 1.640 ( 1.166 -0.683 0.000) 1.351 1.919 ( -16.303 0.058 0.000) 16.303 1.960 ( 4.558 0.231 0.000) 4.564 1.995 ( 3.832 -0.303 0.000) 3.844 2.526 ( -7.419 0.372 0.000) 7.428 2.554 ( 5.711 -0.120 0.000) 5.712 2.567 ( -13.551 -0.534 0.000) 13.561 2.783 ( -3.116 -0.288 0.000) 3.129 2.978 ( -3.177 -0.166 0.000) 3.181 3.384 ( -2.030 0.732 0.000) 2.157 3.433 ( -5.423 1.214 0.000) 5.557 3.435 ( -1.148 -0.274 0.000) 1.180 3.718 ( -4.285 0.594 0.000) 4.326 3.807 ( 8.109 0.277 0.000) 8.114 3.942 ( 4.763 0.391 0.000) 4.779 3.982 ( -2.146 0.103 0.000) 2.149 4.080 ( 4.058 -0.338 0.000) 4.072 4.084 ( 5.028 -0.416 0.000) 5.045 4.257 ( 14.892 1.080 0.000) 14.932 4.725 ( 1.592 0.428 0.000) 1.649 4.755 ( 2.187 -0.780 0.000) 2.322 5.177 ( -10.360 -0.141 0.000) 10.361 5.519 ( -0.203 -1.713 0.000) 1.725 ======================= Grid point 45 (33/196) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -9.999 -2.704 0.000) 10.358 1.582 ( -18.700 0.321 0.000) 18.703 1.631 ( -2.577 -1.636 0.000) 3.053 2.059 ( 4.981 0.575 0.000) 5.014 2.087 ( 5.379 -0.886 0.000) 5.452 2.269 ( -18.348 -0.523 0.000) 18.355 2.410 ( -4.031 0.376 0.000) 4.048 2.635 ( 2.404 -0.304 0.000) 2.423 2.679 ( -6.610 -0.312 0.000) 6.617 2.854 ( -10.011 -0.411 0.000) 10.020 3.330 ( -3.474 1.901 0.000) 3.960 3.365 ( -0.061 0.931 0.000) 0.933 3.415 ( -1.667 -0.187 0.000) 1.677 3.607 ( -6.569 0.229 0.000) 6.573 3.866 ( -3.265 0.383 0.000) 3.287 3.969 ( -0.644 -0.415 0.000) 0.766 4.011 ( 6.862 0.157 0.000) 6.864 4.197 ( 7.066 0.360 0.000) 7.076 4.230 ( 9.818 -0.774 0.000) 9.848 4.542 ( 13.681 2.633 0.000) 13.932 4.776 ( 2.776 0.131 0.000) 2.779 4.801 ( 3.370 -0.789 0.000) 3.462 5.018 ( -4.921 0.441 0.000) 4.941 5.475 ( -6.354 -4.594 0.000) 7.841 ======================= Grid point 46 (34/196) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -5.545 0.247 0.000) 5.550 1.216 ( -19.480 0.748 0.000) 19.495 1.566 ( -5.997 -2.194 0.000) 6.386 1.887 ( -21.298 0.153 0.000) 21.298 2.120 ( 1.302 0.367 0.000) 1.353 2.168 ( 1.273 -1.134 0.000) 1.705 2.405 ( 4.606 0.534 0.000) 4.637 2.551 ( -5.082 -0.298 0.000) 5.090 2.615 ( -15.022 -0.358 0.000) 15.026 2.672 ( 0.222 -0.657 0.000) 0.694 3.279 ( -0.833 1.077 0.000) 1.362 3.370 ( 0.642 0.975 0.000) 1.168 3.373 ( -2.472 0.096 0.000) 2.474 3.484 ( -5.962 -0.531 0.000) 5.985 3.762 ( -6.803 0.330 0.000) 6.811 3.947 ( -1.921 -0.923 0.000) 2.132 4.153 ( 7.363 0.332 0.000) 7.371 4.319 ( 5.757 0.315 0.000) 5.766 4.443 ( 11.549 -1.022 0.000) 11.594 4.597 ( -5.737 -0.463 0.000) 5.755 4.846 ( 3.581 0.581 0.000) 3.628 4.908 ( 6.992 0.967 0.000) 7.058 5.039 ( 5.912 4.285 0.000) 7.302 5.358 ( -7.545 -9.535 0.000) 12.159 ======================= Grid point 47 (35/196) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -3.483 5.124 0.000) 6.196 0.842 ( -19.232 1.460 0.000) 19.288 1.304 ( -24.410 0.115 0.000) 24.410 1.604 ( -6.116 -0.620 0.000) 6.148 2.099 ( -2.929 0.106 0.000) 2.931 2.160 ( -1.804 -1.169 0.000) 2.150 2.313 ( -16.276 -0.166 0.000) 16.277 2.507 ( 0.229 -0.359 0.000) 0.426 2.547 ( 8.972 0.585 0.000) 8.991 2.661 ( -1.543 -0.921 0.000) 1.796 3.282 ( 0.617 -0.398 0.000) 0.734 3.330 ( -1.723 0.416 0.000) 1.772 3.331 ( -3.886 -0.014 0.000) 3.886 3.436 ( 0.314 -1.131 0.000) 1.174 3.617 ( -8.063 0.286 0.000) 8.068 3.912 ( -2.183 -0.989 0.000) 2.397 4.274 ( 5.587 0.441 0.000) 5.604 4.394 ( 0.530 -0.752 0.000) 0.920 4.464 ( -6.841 -1.628 0.000) 7.033 4.657 ( 9.832 -1.165 0.000) 9.901 4.873 ( -3.988 -0.796 0.000) 4.066 4.915 ( -12.502 -3.719 0.000) 13.043 5.038 ( 6.325 2.120 0.000) 6.670 5.472 ( 12.534 -2.279 0.000) 12.740 ======================= Grid point 48 (36/196) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -2.585 9.001 0.000) 9.365 0.482 ( -16.938 2.917 0.000) 17.187 0.784 ( -26.805 3.143 0.000) 26.988 1.548 ( -1.462 -0.649 0.000) 1.600 2.036 ( -2.960 -0.094 0.000) 2.962 2.039 ( -11.489 0.261 0.000) 11.492 2.138 ( -1.081 -1.216 0.000) 1.627 2.533 ( 1.751 -0.369 0.000) 1.789 2.617 ( -1.901 -0.912 0.000) 2.108 2.723 ( 7.524 0.602 0.000) 7.548 3.225 ( -4.442 -0.798 0.000) 4.513 3.305 ( -0.704 0.631 0.000) 0.945 3.354 ( 3.029 -2.927 0.000) 4.212 3.452 ( -0.179 -1.541 0.000) 1.551 3.468 ( -6.867 0.152 0.000) 6.868 3.882 ( -1.386 -0.790 0.000) 1.595 4.299 ( -15.381 -5.486 0.000) 16.331 4.311 ( -13.154 -3.481 0.000) 13.607 4.354 ( 3.004 0.519 0.000) 3.049 4.618 ( -6.392 -0.498 0.000) 6.412 4.813 ( 5.627 -1.261 0.000) 5.767 4.902 ( 0.619 0.371 0.000) 0.722 5.124 ( 3.888 3.276 0.000) 5.085 5.714 ( 10.750 0.229 0.000) 10.753 ======================= Grid point 49 (37/196) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.246 ( -0.000 5.795 0.000) 5.795 0.322 ( -0.000 7.578 0.000) 7.578 0.444 ( -0.000 10.468 0.000) 10.468 1.540 ( 0.000 -0.425 0.000) 0.425 1.920 ( -0.000 0.531 0.000) 0.531 2.007 ( 0.000 -0.202 0.000) 0.202 2.135 ( 0.000 -1.190 0.000) 1.190 2.557 ( 0.000 -0.019 0.000) 0.019 2.598 ( 0.000 -1.392 0.000) 1.392 2.801 ( -0.000 0.879 0.000) 0.879 3.175 ( 0.000 -1.031 0.000) 1.031 3.295 ( -0.000 0.688 0.000) 0.688 3.393 ( -0.000 0.017 0.000) 0.017 3.420 ( 0.000 -4.755 0.000) 4.755 3.445 ( 0.000 -1.140 0.000) 1.140 3.873 ( 0.000 -0.563 0.000) 0.563 3.968 ( -0.000 0.381 0.000) 0.381 4.242 ( -0.000 0.530 0.000) 0.530 4.380 ( -0.000 0.530 0.000) 0.530 4.586 ( -0.000 1.174 0.000) 1.174 4.875 ( 0.000 -1.278 0.000) 1.278 4.906 ( -0.000 0.409 0.000) 0.409 5.141 ( -0.000 3.567 0.000) 3.567 5.826 ( -0.000 0.048 0.000) 0.048 ======================= Grid point 56 (38/196) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -14.772 -0.000 0.000) 14.772 1.636 ( 0.960 0.000 0.000) 0.960 1.919 ( -16.187 -0.000 0.000) 16.187 1.962 ( 4.540 0.000 0.000) 4.540 1.993 ( 3.745 0.000 0.000) 3.745 2.528 ( -7.485 -0.000 0.000) 7.485 2.553 ( 5.694 0.000 0.000) 5.694 2.564 ( -13.528 -0.000 0.000) 13.528 2.781 ( -3.068 -0.000 0.000) 3.068 2.977 ( -3.289 -0.000 0.000) 3.289 3.388 ( -1.897 -0.000 0.000) 1.897 3.433 ( -1.126 -0.000 0.000) 1.126 3.441 ( -5.345 -0.000 0.000) 5.345 3.721 ( -4.430 -0.000 0.000) 4.430 3.808 ( 8.143 0.000 0.000) 8.143 3.944 ( 4.595 0.000 0.000) 4.595 3.982 ( -2.182 -0.000 0.000) 2.182 4.077 ( 4.249 0.000 0.000) 4.249 4.081 ( 4.979 0.000 0.000) 4.979 4.263 ( 15.274 0.000 0.000) 15.274 4.728 ( 1.634 0.000 0.000) 1.634 4.750 ( 2.075 0.000 0.000) 2.075 5.177 ( -10.393 -0.000 0.000) 10.393 5.508 ( -0.558 -0.000 0.000) 0.558 ======================= Grid point 58 (39/196) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -9.151 -0.984 0.000) 9.204 1.585 ( -18.594 0.118 0.000) 18.594 1.617 ( -2.760 -0.596 0.000) 2.823 2.067 ( 5.063 0.742 0.000) 5.117 2.076 ( 5.179 -0.859 0.000) 5.250 2.265 ( -18.173 -0.193 0.000) 18.174 2.413 ( -4.046 0.137 0.000) 4.049 2.633 ( 2.414 -0.110 0.000) 2.416 2.676 ( -6.667 -0.111 0.000) 6.668 2.851 ( -9.986 -0.154 0.000) 9.987 3.347 ( -3.857 0.823 0.000) 3.944 3.371 ( 0.021 0.216 0.000) 0.217 3.413 ( -1.552 -0.066 0.000) 1.554 3.609 ( -6.877 0.051 0.000) 6.877 3.870 ( -3.368 0.137 0.000) 3.371 3.965 ( -0.922 -0.165 0.000) 0.937 4.013 ( 6.969 0.062 0.000) 6.969 4.200 ( 7.211 0.140 0.000) 7.212 4.223 ( 9.763 -0.286 0.000) 9.767 4.564 ( 13.440 0.975 0.000) 13.475 4.776 ( 1.426 -0.006 0.000) 1.426 4.794 ( 4.977 -0.265 0.000) 4.984 5.022 ( -3.969 0.225 0.000) 3.975 5.438 ( -7.652 -1.690 0.000) 7.836 ======================= Grid point 59 (40/196) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -3.083 0.434 0.000) 3.113 1.223 ( -19.273 0.429 0.000) 19.278 1.545 ( -5.913 -1.301 0.000) 6.055 1.887 ( -20.914 0.020 0.000) 20.914 2.125 ( 1.271 0.491 0.000) 1.362 2.156 ( 1.162 -0.938 0.000) 1.494 2.410 ( 4.635 0.310 0.000) 4.645 2.549 ( -5.109 -0.172 0.000) 5.112 2.612 ( -14.953 -0.222 0.000) 14.954 2.666 ( 0.134 -0.368 0.000) 0.392 3.291 ( -1.528 0.741 0.000) 1.698 3.374 ( -2.317 0.057 0.000) 2.318 3.380 ( 0.790 0.655 0.000) 1.026 3.476 ( -6.837 -0.645 0.000) 6.867 3.765 ( -6.844 0.182 0.000) 6.846 3.938 ( -1.981 -0.537 0.000) 2.053 4.156 ( 7.404 0.204 0.000) 7.407 4.322 ( 5.475 0.192 0.000) 5.479 4.434 ( 11.538 -0.592 0.000) 11.553 4.592 ( -6.803 -0.371 0.000) 6.813 4.852 ( 3.437 0.363 0.000) 3.456 4.917 ( 7.546 0.550 0.000) 7.566 5.093 ( 7.642 4.701 0.000) 8.973 5.258 ( -9.182 -7.326 0.000) 11.746 ======================= Grid point 60 (41/196) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -0.878 4.350 0.000) 4.438 0.857 ( -18.803 1.035 0.000) 18.832 1.302 ( -22.920 -0.431 0.000) 22.924 1.598 ( -6.692 -0.375 0.000) 6.703 2.102 ( -3.012 0.373 0.000) 3.035 2.146 ( -1.821 -1.151 0.000) 2.154 2.312 ( -16.097 -0.139 0.000) 16.098 2.503 ( 0.087 -0.261 0.000) 0.275 2.554 ( 9.217 0.489 0.000) 9.230 2.651 ( -1.694 -0.702 0.000) 1.833 3.278 ( -0.150 -0.305 0.000) 0.340 3.332 ( -5.151 0.279 0.000) 5.159 3.335 ( -1.590 0.296 0.000) 1.617 3.421 ( 0.313 -1.396 0.000) 1.431 3.620 ( -8.122 0.197 0.000) 8.124 3.902 ( -2.093 -0.724 0.000) 2.215 4.279 ( 5.626 0.336 0.000) 5.636 4.386 ( -0.203 -0.606 0.000) 0.639 4.447 ( -7.783 -1.194 0.000) 7.874 4.645 ( 9.823 -0.843 0.000) 9.859 4.851 ( -17.503 -2.329 0.000) 17.657 4.893 ( -1.005 -0.466 0.000) 1.108 5.061 ( 7.139 1.558 0.000) 7.307 5.458 ( 15.573 -0.489 0.000) 15.581 ======================= Grid point 61 (42/196) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -15.837 2.303 0.000) 16.003 0.552 ( -1.590 8.037 0.000) 8.193 0.810 ( -25.233 1.294 0.000) 25.266 1.541 ( -1.192 -0.475 0.000) 1.283 2.036 ( -3.012 0.107 0.000) 3.014 2.042 ( -11.226 0.208 0.000) 11.228 2.123 ( -1.112 -1.201 0.000) 1.636 2.528 ( 1.803 -0.384 0.000) 1.844 2.608 ( -2.175 -0.604 0.000) 2.257 2.729 ( 7.838 0.422 0.000) 7.850 3.214 ( -4.913 -0.951 0.000) 5.004 3.312 ( -0.637 0.521 0.000) 0.823 3.323 ( 1.772 -2.227 0.000) 2.846 3.434 ( -0.196 -1.393 0.000) 1.406 3.470 ( -6.974 0.123 0.000) 6.975 3.872 ( -1.318 -0.767 0.000) 1.525 4.225 ( -20.134 -4.612 0.000) 20.655 4.306 ( -5.601 0.000 0.000) 5.601 4.360 ( 3.033 0.457 0.000) 3.067 4.617 ( -3.526 0.147 0.000) 3.529 4.799 ( 5.608 -1.058 0.000) 5.707 4.906 ( 0.656 0.296 0.000) 0.720 5.161 ( 4.317 2.801 0.000) 5.147 5.717 ( 10.776 0.293 0.000) 10.780 ======================= Grid point 62 (43/196) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( -0.000 4.440 0.000) 4.440 0.401 ( -0.000 5.811 0.000) 5.811 0.553 ( -0.000 8.028 0.000) 8.028 1.536 ( 0.000 -0.348 0.000) 0.348 1.926 ( -0.000 0.503 0.000) 0.503 2.005 ( 0.000 -0.035 0.000) 0.035 2.120 ( 0.000 -1.274 0.000) 1.274 2.557 ( 0.000 -0.018 0.000) 0.018 2.582 ( 0.000 -1.242 0.000) 1.242 2.811 ( -0.000 0.741 0.000) 0.741 3.163 ( 0.000 -0.972 0.000) 0.972 3.302 ( -0.000 0.646 0.000) 0.646 3.367 ( 0.000 -4.116 0.000) 4.116 3.393 ( -0.000 0.016 0.000) 0.016 3.432 ( 0.000 -1.070 0.000) 1.070 3.865 ( 0.000 -0.771 0.000) 0.771 3.972 ( -0.000 0.355 0.000) 0.355 4.248 ( -0.000 0.485 0.000) 0.485 4.386 ( -0.000 0.529 0.000) 0.529 4.598 ( -0.000 0.873 0.000) 0.873 4.860 ( 0.000 -1.213 0.000) 1.213 4.911 ( -0.000 0.360 0.000) 0.360 5.183 ( -0.000 3.502 0.000) 3.502 5.826 ( 0.000 -0.021 0.000) 0.021 ======================= Grid point 71 (44/196) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -2.129 -0.000 0.000) 2.129 1.226 ( -19.199 -0.000 0.000) 19.199 1.537 ( -5.902 -0.000 0.000) 5.902 1.888 ( -20.785 -0.000 0.000) 20.785 2.129 ( 1.317 0.000 0.000) 1.317 2.149 ( 1.063 0.000 0.000) 1.063 2.412 ( 4.651 0.000 0.000) 4.651 2.548 ( -5.122 -0.000 0.000) 5.122 2.610 ( -14.926 -0.000 0.000) 14.926 2.664 ( 0.102 0.000 0.000) 0.102 3.295 ( -1.799 -0.000 0.000) 1.799 3.374 ( -2.262 -0.000 0.000) 2.262 3.384 ( 1.045 0.000 0.000) 1.045 3.472 ( -7.353 -0.000 0.000) 7.353 3.766 ( -6.858 -0.000 0.000) 6.858 3.935 ( -2.000 -0.000 0.000) 2.000 4.157 ( 7.418 0.000 0.000) 7.418 4.323 ( 5.372 0.000 0.000) 5.372 4.430 ( 11.535 0.000 0.000) 11.535 4.590 ( -7.122 -0.000 0.000) 7.122 4.854 ( 3.365 0.000 0.000) 3.365 4.920 ( 7.744 0.000 0.000) 7.744 5.134 ( 15.106 0.000 0.000) 15.106 5.202 ( -16.587 -0.000 0.000) 16.587 ======================= Grid point 73 (45/196) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 0.581 1.731 0.000) 1.826 0.865 ( -18.569 0.374 0.000) 18.573 1.297 ( -22.207 -0.284 0.000) 22.208 1.595 ( -7.021 -0.125 0.000) 7.022 2.107 ( -3.185 0.327 0.000) 3.202 2.135 ( -1.697 -0.613 0.000) 1.805 2.310 ( -15.990 -0.054 0.000) 15.990 2.501 ( -0.003 -0.096 0.000) 0.096 2.558 ( 9.463 0.198 0.000) 9.465 2.645 ( -1.882 -0.269 0.000) 1.901 3.275 ( -0.790 -0.119 0.000) 0.799 3.336 ( -6.189 0.261 0.000) 6.194 3.337 ( -1.516 0.107 0.000) 1.520 3.407 ( 0.835 -0.718 0.000) 1.102 3.621 ( -8.154 0.070 0.000) 8.155 3.896 ( -2.051 -0.267 0.000) 2.068 4.282 ( 5.647 0.127 0.000) 5.648 4.381 ( -0.904 -0.261 0.000) 0.941 4.437 ( -8.058 -0.395 0.000) 8.068 4.638 ( 9.820 -0.308 0.000) 9.825 4.831 ( -19.713 -0.880 0.000) 19.732 4.891 ( 1.160 -0.024 0.000) 1.160 5.073 ( 7.548 0.569 0.000) 7.569 5.455 ( 16.613 -0.031 0.000) 16.613 ======================= Grid point 74 (46/196) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -15.161 1.262 0.000) 15.213 0.632 ( -0.395 5.324 0.000) 5.338 0.815 ( -25.106 -0.293 0.000) 25.108 1.537 ( -1.008 -0.246 0.000) 1.038 2.038 ( -3.095 0.184 0.000) 3.100 2.044 ( -11.030 0.116 0.000) 11.030 2.111 ( -1.080 -0.806 0.000) 1.348 2.524 ( 1.807 -0.247 0.000) 1.824 2.603 ( -2.344 -0.288 0.000) 2.362 2.733 ( 8.061 0.217 0.000) 8.064 3.204 ( -5.058 -0.619 0.000) 5.096 3.303 ( 0.762 -1.192 0.000) 1.415 3.317 ( -0.590 0.294 0.000) 0.659 3.421 ( 0.013 -0.818 0.000) 0.819 3.471 ( -7.048 0.068 0.000) 7.048 3.865 ( -1.307 -0.473 0.000) 1.390 4.188 ( -18.097 -1.914 0.000) 18.197 4.307 ( -5.228 0.041 0.000) 5.228 4.364 ( 3.053 0.270 0.000) 3.065 4.619 ( -2.561 0.119 0.000) 2.564 4.789 ( 5.598 -0.604 0.000) 5.630 4.909 ( 0.673 0.162 0.000) 0.692 5.187 ( 4.643 1.612 0.000) 4.915 5.720 ( 10.588 0.174 0.000) 10.589 ======================= Grid point 75 (47/196) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( -0.000 2.794 0.000) 2.794 0.456 ( -0.000 3.660 0.000) 3.660 0.631 ( -0.000 5.057 0.000) 5.057 1.532 ( 0.000 -0.216 0.000) 0.216 1.931 ( -0.000 0.358 0.000) 0.358 2.006 ( -0.000 0.110 0.000) 0.110 2.106 ( 0.000 -1.038 0.000) 1.038 2.557 ( 0.000 -0.013 0.000) 0.013 2.569 ( 0.000 -0.850 0.000) 0.850 2.818 ( -0.000 0.485 0.000) 0.485 3.153 ( 0.000 -0.690 0.000) 0.690 3.309 ( -0.000 0.457 0.000) 0.457 3.327 ( 0.000 -2.759 0.000) 2.759 3.393 ( -0.000 0.011 0.000) 0.011 3.421 ( 0.000 -0.757 0.000) 0.757 3.856 ( 0.000 -0.646 0.000) 0.646 3.976 ( -0.000 0.249 0.000) 0.249 4.253 ( -0.000 0.336 0.000) 0.336 4.391 ( -0.000 0.395 0.000) 0.395 4.606 ( -0.000 0.506 0.000) 0.506 4.848 ( 0.000 -0.868 0.000) 0.868 4.914 ( -0.000 0.241 0.000) 0.241 5.219 ( -0.000 2.561 0.000) 2.561 5.826 ( 0.000 -0.062 0.000) 0.062 ======================= Grid point 86 (48/196) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -14.934 -0.000 0.000) 14.934 0.666 ( 0.921 0.000 0.000) 0.921 0.811 ( -26.019 -0.000 0.000) 26.019 1.536 ( -0.943 -0.000 0.000) 0.943 2.039 ( -3.147 -0.000 0.000) 3.147 2.045 ( -10.958 -0.000 0.000) 10.958 2.106 ( -1.045 -0.000 0.000) 1.045 2.523 ( 1.800 0.000 0.000) 1.800 2.601 ( -2.398 -0.000 0.000) 2.398 2.734 ( 8.140 0.000 0.000) 8.140 3.200 ( -5.076 -0.000 0.000) 5.076 3.296 ( 0.374 0.000 0.000) 0.374 3.318 ( -0.573 -0.000 0.000) 0.573 3.416 ( 0.128 0.000 0.000) 0.128 3.471 ( -7.074 -0.000 0.000) 7.074 3.862 ( -1.308 -0.000 0.000) 1.308 4.178 ( -17.375 -0.000 0.000) 17.375 4.307 ( -5.122 -0.000 0.000) 5.122 4.366 ( 3.060 0.000 0.000) 3.060 4.620 ( -2.305 -0.000 0.000) 2.305 4.786 ( 5.594 0.000 0.000) 5.594 4.910 ( 0.678 0.000 0.000) 0.678 5.197 ( 4.764 0.000 0.000) 4.764 5.721 ( 10.493 0.000 0.000) 10.493 ======================= Grid point 88 (49/196) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( -0.000 0.954 0.000) 0.954 0.485 ( -0.000 1.250 0.000) 1.250 0.671 ( -0.000 1.728 0.000) 1.728 1.531 ( 0.000 -0.071 0.000) 0.071 1.934 ( -0.000 0.129 0.000) 0.129 2.007 ( -0.000 0.080 0.000) 0.080 2.097 ( 0.000 -0.415 0.000) 0.415 2.557 ( 0.000 -0.005 0.000) 0.005 2.562 ( 0.000 -0.301 0.000) 0.301 2.822 ( -0.000 0.168 0.000) 0.168 3.148 ( 0.000 -0.249 0.000) 0.249 3.304 ( 0.000 -0.968 0.000) 0.968 3.313 ( -0.000 0.165 0.000) 0.165 3.393 ( -0.000 0.004 0.000) 0.004 3.415 ( 0.000 -0.273 0.000) 0.273 3.851 ( 0.000 -0.250 0.000) 0.250 3.978 ( -0.000 0.089 0.000) 0.089 4.256 ( -0.000 0.120 0.000) 0.120 4.395 ( -0.000 0.147 0.000) 0.147 4.610 ( -0.000 0.162 0.000) 0.162 4.841 ( 0.000 -0.315 0.000) 0.315 4.916 ( -0.000 0.084 0.000) 0.084 5.241 ( -0.000 0.939 0.000) 0.939 5.825 ( 0.000 -0.033 0.000) 0.033 ======================= Grid point 175 (50/196) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.146 ( 0.000 0.000 10.521) 10.521 0.383 ( 0.000 0.000 20.746) 20.746 0.658 ( 0.000 0.000 34.857) 34.857 1.383 ( 0.000 0.000 -14.885) 14.885 1.769 ( 0.000 0.000 -13.242) 13.242 2.084 ( 0.000 0.000 7.204) 7.204 2.292 ( 0.000 0.000 10.774) 10.774 2.559 ( 0.000 0.000 -8.331) 8.331 2.664 ( 0.000 0.000 9.621) 9.621 3.034 ( 0.000 0.000 -4.232) 4.232 3.212 ( 0.000 0.000 -5.739) 5.739 3.217 ( 0.000 0.000 2.084) 2.084 3.342 ( 0.000 0.000 -5.159) 5.159 3.455 ( 0.000 0.000 -1.669) 1.669 3.573 ( 0.000 0.000 4.603) 4.603 3.882 ( 0.000 0.000 0.277) 0.277 3.989 ( 0.000 0.000 2.979) 2.979 4.218 ( 0.000 0.000 -1.315) 1.315 4.546 ( 0.000 0.000 -0.825) 0.825 4.741 ( 0.000 0.000 -7.567) 7.567 5.066 ( 0.000 0.000 -0.005) 0.005 5.080 ( 0.000 0.000 9.822) 9.822 5.266 ( 0.000 0.000 -2.765) 2.765 5.499 ( 0.000 0.000 -1.074) 1.074 ======================= Grid point 176 (51/196) ======================= q-point: ( 0.08 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.271 ( 9.662 -2.062 7.349) 12.314 0.532 ( 13.852 -0.845 14.335) 19.952 0.934 ( 23.806 -0.709 23.832) 33.693 1.408 ( 2.652 0.173 -14.379) 14.623 1.869 ( 9.211 -0.151 -14.079) 16.825 2.113 ( 3.185 0.014 6.171) 6.945 2.291 ( 0.090 0.306 10.217) 10.222 2.545 ( -0.692 0.250 -5.652) 5.700 2.701 ( 3.249 0.090 8.427) 9.033 2.792 ( -12.927 0.635 5.203) 13.950 3.194 ( -1.596 0.219 -6.596) 6.790 3.247 ( 3.003 -0.212 1.879) 3.549 3.402 ( 2.940 0.069 -5.041) 5.836 3.463 ( 1.565 0.189 -0.729) 1.736 3.552 ( -1.380 0.395 6.082) 6.250 3.897 ( 1.766 0.098 -0.266) 1.789 4.111 ( 2.054 0.027 -10.536) 10.735 4.287 ( 6.110 0.065 -3.050) 6.829 4.637 ( 2.961 -0.218 3.313) 4.449 4.720 ( -1.946 0.232 -6.187) 6.490 5.033 ( -3.120 0.498 1.337) 3.431 5.054 ( -2.931 -1.088 8.180) 8.757 5.170 ( -3.058 10.772 -0.574) 11.213 5.602 ( 4.234 -0.737 -10.681) 11.513 ======================= Grid point 177 (52/196) ======================= q-point: ( 0.15 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 11.678 -1.118 6.190) 13.264 0.848 ( 18.008 -0.834 6.907) 19.305 1.416 ( 20.634 0.133 8.317) 22.248 1.495 ( 10.868 -0.155 -6.848) 12.847 2.027 ( 4.838 -0.254 -11.874) 12.825 2.229 ( 9.498 0.204 -0.624) 9.521 2.289 ( -0.345 0.478 7.771) 7.794 2.555 ( 2.224 0.664 -2.240) 3.225 2.587 ( -8.352 -0.127 4.955) 9.713 2.767 ( 3.485 0.146 8.948) 9.604 3.158 ( -1.701 0.392 -8.260) 8.443 3.327 ( 4.846 -0.399 2.252) 5.358 3.374 ( -2.989 -0.416 -0.628) 3.082 3.538 ( 0.622 0.256 7.646) 7.675 3.580 ( 7.692 -0.216 -2.648) 8.138 3.935 ( 2.141 0.449 -1.010) 2.410 4.080 ( -4.169 -0.236 -10.360) 11.170 4.380 ( 1.675 0.449 -9.433) 9.591 4.610 ( -4.752 -0.369 10.022) 11.098 4.686 ( -0.428 0.497 0.396) 0.766 4.951 ( -5.245 -0.148 0.133) 5.249 4.992 ( -3.821 -0.630 8.096) 8.974 5.034 ( -7.729 0.830 -1.499) 7.917 5.645 ( 3.192 6.994 -9.204) 11.992 ======================= Grid point 178 (53/196) ======================= q-point: ( 0.23 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 12.487 0.859 5.292) 13.590 1.201 ( 18.513 -0.596 2.497) 18.690 1.561 ( 5.650 1.140 -10.220) 11.733 1.922 ( 22.485 0.162 7.780) 23.793 2.054 ( -1.129 -0.329 -7.653) 7.743 2.246 ( -4.191 0.656 3.385) 5.427 2.421 ( 9.630 0.078 -6.884) 11.838 2.483 ( -1.222 -0.262 9.083) 9.169 2.631 ( 4.035 0.793 -1.745) 4.467 2.838 ( 4.839 0.161 9.086) 10.296 3.136 ( -0.291 0.066 -8.058) 8.064 3.316 ( -2.456 -1.033 0.326) 2.685 3.441 ( 5.554 -1.012 4.044) 6.944 3.568 ( 2.657 0.040 7.581) 8.033 3.723 ( 6.915 -0.279 -2.701) 7.429 3.958 ( -1.765 0.264 -5.755) 6.025 3.982 ( -3.806 -0.012 -5.654) 6.816 4.313 ( -7.216 0.547 -11.999) 14.012 4.498 ( -6.678 -0.272 12.278) 13.979 4.654 ( -6.996 -0.962 2.133) 7.377 4.843 ( -6.101 -0.575 -1.720) 6.365 4.922 ( -3.056 -1.427 -0.330) 3.389 4.943 ( 0.747 0.584 8.499) 8.552 5.656 ( 2.456 7.355 -6.820) 10.327 ======================= Grid point 179 (54/196) ======================= q-point: ( 0.31 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 12.635 2.932 4.035) 13.584 1.523 ( 12.657 0.465 -3.790) 13.221 1.671 ( 8.691 0.833 -4.522) 9.832 2.010 ( -3.054 -0.381 -4.461) 5.420 2.142 ( -5.188 0.624 3.290) 6.174 2.263 ( 12.621 0.819 2.272) 12.850 2.544 ( 7.334 -0.222 10.043) 12.438 2.588 ( 8.091 0.139 -7.851) 11.275 2.648 ( -1.689 0.599 0.106) 1.795 2.944 ( 5.030 0.532 2.421) 5.607 3.156 ( 2.453 -0.955 -5.223) 5.849 3.302 ( 0.485 -1.752 1.296) 2.233 3.535 ( 3.345 -0.963 6.552) 7.419 3.638 ( 4.486 -0.296 5.085) 6.787 3.822 ( -4.846 -0.667 -5.523) 7.378 3.843 ( 1.107 -0.134 -6.844) 6.935 3.977 ( -0.156 0.325 -1.066) 1.126 4.158 ( -7.619 0.619 -9.030) 11.831 4.373 ( -6.672 -0.216 12.662) 14.313 4.448 ( -13.325 -2.594 2.088) 13.735 4.740 ( -4.777 -0.443 -2.748) 5.528 4.869 ( -3.027 0.038 2.009) 3.633 5.048 ( 8.418 1.189 4.506) 9.622 5.646 ( 0.215 5.358 -5.022) 7.347 ======================= Grid point 180 (55/196) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 12.152 3.746 2.220) 12.908 1.597 ( -1.152 1.394 -7.375) 7.594 1.934 ( 15.083 -0.198 0.399) 15.090 1.958 ( -1.936 -0.501 -0.403) 2.040 2.054 ( -3.372 0.670 5.270) 6.292 2.427 ( 6.907 0.076 -2.289) 7.276 2.574 ( -5.511 0.337 1.629) 5.757 2.701 ( 4.822 0.547 -5.610) 7.418 2.725 ( 8.358 0.441 3.873) 9.222 2.983 ( -0.354 -0.036 -4.173) 4.188 3.238 ( 4.870 -0.821 -2.765) 5.660 3.359 ( 4.213 -1.287 1.708) 4.725 3.578 ( 0.630 -1.223 5.688) 5.852 3.666 ( -8.351 -0.464 -8.575) 11.979 3.723 ( 3.615 -0.875 4.348) 5.721 3.890 ( -0.013 -0.445 -1.820) 1.874 3.973 ( 0.441 -0.260 -0.500) 0.715 4.051 ( -2.892 0.534 -4.581) 5.444 4.218 ( -9.638 -1.246 3.549) 10.346 4.267 ( -6.149 -0.128 12.032) 13.513 4.679 ( -1.719 -0.516 -2.978) 3.477 4.806 ( -3.395 0.692 0.735) 3.542 5.209 ( 8.892 0.856 2.312) 9.227 5.597 ( -2.825 3.348 -3.448) 5.575 ======================= Grid point 181 (56/196) ======================= q-point: ( 0.46 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 10.088 2.531 -0.530) 10.415 1.517 ( -6.336 -0.237 -4.266) 7.642 1.929 ( -0.723 -0.317 3.494) 3.582 1.990 ( -1.774 0.335 4.589) 4.931 2.224 ( 13.225 -0.058 1.442) 13.304 2.436 ( -9.020 0.086 2.068) 9.255 2.561 ( 7.224 -0.547 -6.094) 9.466 2.690 ( -4.642 0.774 -8.291) 9.533 2.872 ( 6.553 0.918 2.050) 6.927 2.957 ( -2.717 -0.843 -2.570) 3.834 3.336 ( 5.479 -0.110 -4.681) 7.208 3.432 ( -0.319 -0.171 -2.441) 2.468 3.528 ( -1.991 -0.018 -3.297) 3.852 3.584 ( -2.715 -1.219 0.581) 3.033 3.786 ( 2.866 -0.659 4.714) 5.556 3.854 ( -2.967 -0.294 2.325) 3.781 3.997 ( 1.370 -0.569 -0.988) 1.783 4.026 ( -0.812 0.504 -1.274) 1.593 4.112 ( -1.077 -0.442 6.135) 6.245 4.165 ( -4.386 0.535 10.287) 11.196 4.683 ( 1.487 -0.873 -2.184) 2.782 4.736 ( -3.241 1.011 -0.768) 3.481 5.366 ( 7.782 -0.226 0.199) 7.788 5.501 ( -5.689 1.678 -1.743) 6.183 ======================= Grid point 189 (57/196) ======================= q-point: ( 0.08 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 12.361 0.000 6.260) 13.855 0.843 ( 18.172 0.000 6.891) 19.435 1.417 ( 21.900 0.000 9.642) 23.929 1.494 ( 9.912 0.000 -8.083) 12.790 2.025 ( 4.859 0.000 -11.991) 12.938 2.230 ( 9.535 0.000 -0.649) 9.557 2.291 ( -0.417 -0.000 7.894) 7.905 2.559 ( 2.704 0.000 -2.467) 3.660 2.586 ( -8.946 -0.000 5.370) 10.434 2.767 ( 3.482 0.000 8.869) 9.528 3.161 ( -1.746 -0.000 -8.137) 8.322 3.325 ( 5.124 0.000 2.493) 5.699 3.371 ( -3.536 -0.000 -1.056) 3.690 3.540 ( 0.364 0.000 7.999) 8.007 3.578 ( 7.814 0.000 -2.859) 8.321 3.938 ( 2.173 0.000 -1.034) 2.406 4.078 ( -4.191 -0.000 -10.426) 11.237 4.383 ( 1.686 0.000 -9.661) 9.807 4.607 ( -4.622 -0.000 10.145) 11.148 4.689 ( -0.426 -0.000 0.260) 0.499 4.950 ( -5.483 -0.000 -1.052) 5.583 4.988 ( -3.370 -0.000 9.459) 10.041 5.039 ( -10.016 -0.000 -1.789) 10.175 5.689 ( 3.148 0.000 -10.367) 10.834 ======================= Grid point 190 (58/196) ======================= q-point: ( 0.15 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 13.343 0.341 5.226) 14.334 1.196 ( 18.741 -0.217 2.481) 18.906 1.570 ( 5.689 0.404 -10.515) 11.962 1.923 ( 23.008 0.074 8.209) 24.429 2.051 ( -1.187 -0.128 -7.916) 8.005 2.251 ( -4.304 0.236 3.402) 5.491 2.421 ( 9.617 0.027 -6.891) 11.831 2.480 ( -1.314 -0.097 9.233) 9.327 2.637 ( 4.020 0.284 -1.654) 4.356 2.839 ( 4.874 0.051 9.080) 10.305 3.137 ( -0.591 0.052 -8.155) 8.176 3.307 ( -2.864 -0.391 0.446) 2.925 3.432 ( 5.704 -0.397 3.901) 6.922 3.568 ( 2.573 -0.005 7.725) 8.142 3.721 ( 6.892 -0.102 -2.701) 7.403 3.960 ( -3.173 0.036 -7.347) 8.003 3.983 ( -2.472 0.054 -4.177) 4.854 4.317 ( -7.249 0.202 -12.189) 14.183 4.496 ( -6.644 -0.104 12.307) 13.986 4.645 ( -8.341 -0.390 1.942) 8.573 4.839 ( -6.023 -0.196 -1.993) 6.347 4.911 ( -2.164 -0.497 -0.579) 2.294 4.948 ( 1.233 0.248 9.524) 9.607 5.717 ( 0.916 2.748 -7.550) 8.087 ======================= Grid point 191 (59/196) ======================= q-point: ( 0.23 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 13.170 1.629 3.854) 13.819 1.526 ( 13.798 0.186 -3.175) 14.160 1.679 ( 7.703 0.533 -5.307) 9.369 2.007 ( -3.073 -0.196 -4.575) 5.514 2.148 ( -5.260 0.334 3.349) 6.244 2.271 ( 12.529 0.498 2.465) 12.779 2.542 ( 7.694 -0.124 10.196) 12.774 2.589 ( 8.140 0.035 -8.080) 11.469 2.654 ( -1.941 0.349 0.251) 1.989 2.949 ( 5.122 0.308 2.492) 5.705 3.147 ( 2.029 -0.547 -5.169) 5.579 3.285 ( 0.550 -1.023 1.426) 1.839 3.526 ( 3.403 -0.561 6.070) 6.982 3.635 ( 4.266 -0.181 5.386) 6.873 3.815 ( -4.459 -0.376 -5.318) 6.950 3.842 ( 0.711 -0.078 -7.061) 7.097 3.979 ( -0.458 0.164 -1.132) 1.232 4.163 ( -7.678 0.330 -9.143) 11.944 4.371 ( -6.427 -0.008 12.818) 14.339 4.423 ( -13.127 -1.508 2.155) 13.388 4.736 ( -4.673 -0.222 -2.821) 5.463 4.868 ( -2.652 -0.070 1.547) 3.071 5.059 ( 8.402 0.742 5.284) 9.954 5.696 ( -1.311 3.052 -5.353) 6.300 ======================= Grid point 192 (60/196) ======================= q-point: ( 0.31 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 11.832 2.558 1.981) 12.266 1.611 ( -1.704 0.980 -7.250) 7.512 1.932 ( 15.331 -0.127 0.384) 15.336 1.953 ( -2.146 -0.313 -0.604) 2.251 2.061 ( -3.448 0.418 5.469) 6.479 2.428 ( 6.422 0.035 -2.138) 6.769 2.577 ( -5.705 0.225 1.679) 5.951 2.708 ( 4.658 0.539 -6.716) 8.191 2.730 ( 9.140 0.240 4.765) 10.310 2.982 ( -0.980 -0.069 -4.553) 4.658 3.229 ( 5.351 -0.676 -2.030) 5.763 3.346 ( 4.884 -0.874 1.692) 5.242 3.566 ( 0.624 -0.840 5.266) 5.369 3.661 ( -8.453 -0.365 -8.603) 12.066 3.715 ( 3.465 -0.587 4.799) 5.948 3.885 ( -0.054 -0.323 -1.776) 1.806 3.970 ( 0.215 -0.193 -0.507) 0.584 4.056 ( -3.001 0.362 -4.691) 5.580 4.205 ( -9.162 -0.838 3.289) 9.770 4.266 ( -5.443 -0.069 12.308) 13.458 4.674 ( -1.838 -0.339 -2.982) 3.519 4.812 ( -3.169 0.402 0.527) 3.238 5.218 ( 8.433 0.648 2.715) 8.883 5.631 ( -3.974 2.379 -3.569) 5.847 ======================= Grid point 193 (61/196) ======================= q-point: ( 0.38 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 8.855 2.097 -0.835) 9.139 1.514 ( -7.667 -0.353 -3.946) 8.630 1.927 ( -0.386 -0.125 3.227) 3.253 1.993 ( -2.136 0.135 4.867) 5.317 2.223 ( 13.278 -0.026 1.377) 13.349 2.437 ( -9.116 0.068 2.109) 9.357 2.555 ( 6.998 -0.483 -5.999) 9.230 2.698 ( -4.696 0.613 -8.278) 9.537 2.882 ( 6.651 0.886 1.899) 6.974 2.947 ( -2.874 -0.731 -2.664) 3.986 3.335 ( 5.814 -0.080 -4.411) 7.299 3.430 ( -0.126 -0.159 -2.924) 2.931 3.529 ( -1.316 0.215 -2.688) 3.001 3.569 ( -2.195 -1.224 0.267) 2.527 3.779 ( 3.487 -0.456 5.141) 6.228 3.851 ( -2.696 -0.279 2.458) 3.659 3.991 ( 1.291 -0.454 -1.086) 1.747 4.031 ( -0.711 0.411 -1.297) 1.535 4.107 ( -0.963 -0.364 5.929) 6.017 4.171 ( -4.383 0.386 10.213) 11.120 4.673 ( 1.295 -0.720 -2.166) 2.624 4.747 ( -3.200 0.787 -0.851) 3.403 5.364 ( 7.024 -0.164 0.415) 7.038 5.519 ( -6.610 1.400 -1.845) 7.004 ======================= Grid point 194 (62/196) ======================= q-point: (-0.54 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -11.573 -2.437 -0.224) 11.829 1.519 ( 5.102 0.086 -4.581) 6.858 1.934 ( 1.086 0.541 3.838) 4.026 1.985 ( 1.375 -0.565 4.241) 4.494 2.225 ( -13.192 0.081 1.520) 13.280 2.435 ( 8.931 -0.085 2.026) 9.158 2.567 ( -7.485 0.478 -6.182) 9.720 2.681 ( 4.648 -0.759 -8.304) 9.547 2.862 ( -6.438 -0.741 2.219) 6.850 2.966 ( 2.462 0.766 -2.497) 3.589 3.338 ( -5.263 0.131 -4.986) 7.251 3.434 ( 0.657 0.157 -1.900) 2.017 3.529 ( 2.753 0.149 -4.114) 4.953 3.597 ( 3.142 1.008 0.971) 3.440 3.794 ( -2.233 0.765 4.451) 5.038 3.858 ( 3.352 0.223 2.109) 3.966 4.004 ( -1.406 0.553 -0.879) 1.748 4.020 ( 0.926 -0.484 -1.215) 1.603 4.117 ( 1.170 0.426 6.328) 6.450 4.159 ( 4.397 -0.586 10.333) 11.245 4.693 ( -1.650 0.824 -2.199) 2.870 4.724 ( 3.228 -1.014 -0.691) 3.454 5.369 ( -8.571 0.241 -0.025) 8.575 5.481 ( 4.704 -1.571 -1.634) 5.222 ======================= Grid point 195 (63/196) ======================= q-point: (-0.46 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -12.566 -4.171 2.546) 13.483 1.579 ( 0.506 -1.496 -7.522) 7.686 1.937 ( -15.026 0.232 0.426) 15.034 1.965 ( 1.905 0.661 -0.200) 2.026 2.045 ( 3.305 -0.866 5.075) 6.117 2.426 ( -7.460 -0.113 -2.449) 7.853 2.570 ( 5.248 -0.384 1.530) 5.480 2.695 ( -4.510 -0.389 -5.433) 7.072 2.720 ( -7.963 -0.538 3.912) 8.888 2.983 ( -0.335 -0.031 -3.730) 3.745 3.247 ( -4.346 0.733 -3.519) 5.640 3.375 ( -3.433 1.416 1.706) 4.086 3.594 ( -0.690 1.381 6.113) 6.305 3.672 ( 8.308 0.413 -8.589) 11.957 3.734 ( -3.868 0.969 3.867) 5.555 3.895 ( -0.022 0.461 -1.857) 1.913 3.976 ( -0.787 0.252 -0.491) 0.961 4.044 ( 2.734 -0.581 -4.380) 5.196 4.233 ( 9.864 1.350 4.575) 10.956 4.269 ( 7.503 0.229 10.904) 13.239 4.686 ( 1.602 0.610 -2.962) 3.422 4.796 ( 3.587 -0.922 0.992) 3.834 5.199 ( -9.396 -0.825 1.824) 9.607 5.555 ( 1.442 -3.552 -3.312) 5.066 ======================= Grid point 196 (64/196) ======================= q-point: (-0.38 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -11.749 -3.604 4.326) 13.029 1.515 ( -10.955 -0.821 -4.709) 11.953 1.661 ( -10.216 -0.790 -3.373) 10.787 2.016 ( 3.019 0.532 -4.319) 5.297 2.134 ( 5.106 -0.823 3.250) 6.108 2.252 ( -12.721 -0.910 2.016) 12.912 2.547 ( -6.936 0.264 9.845) 12.045 2.586 ( -7.883 -0.295 -7.543) 10.915 2.641 ( 1.230 -0.676 -0.167) 1.413 2.937 ( -4.943 -0.618 2.440) 5.547 3.168 ( -2.856 1.105 -5.448) 6.249 3.325 ( -0.468 2.073 1.193) 2.437 3.547 ( -3.337 1.115 7.207) 8.020 3.642 ( -4.858 0.287 4.665) 6.741 3.830 ( 5.852 0.788 -6.213) 8.572 3.845 ( -2.123 0.175 -6.125) 6.485 3.972 ( -0.249 -0.458 -0.982) 1.111 4.149 ( 7.550 -0.783 -8.842) 11.653 4.376 ( 6.785 0.388 12.761) 14.458 4.482 ( 13.774 3.213 1.640) 14.238 4.746 ( 4.954 0.642 -2.607) 5.635 4.866 ( 3.396 -0.442 2.783) 4.413 5.034 ( -8.197 -1.112 3.267) 8.893 5.576 ( -2.302 -6.423 -4.597) 8.227 ======================= Grid point 197 (65/196) ======================= q-point: (-0.31 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -10.803 -0.926 5.383) 12.105 1.210 ( -18.093 0.820 2.510) 18.285 1.544 ( -5.588 -1.660 -9.691) 11.310 1.920 ( -21.679 -0.179 7.150) 22.828 2.059 ( 1.086 0.427 -7.323) 7.415 2.236 ( 4.004 -0.933 3.395) 5.331 2.420 ( -9.653 -0.127 -6.910) 11.872 2.486 ( 1.108 0.359 8.861) 8.938 2.619 ( -4.080 -1.132 -1.905) 4.643 2.835 ( -4.771 -0.265 9.111) 10.288 3.136 ( -0.254 0.075 -7.990) 7.995 3.330 ( 1.824 1.394 0.206) 2.305 3.454 ( -5.411 1.196 4.254) 6.986 3.567 ( -2.853 -0.213 7.373) 7.909 3.727 ( -6.959 0.382 -2.705) 7.476 3.953 ( 0.014 -0.652 -3.609) 3.667 3.984 ( 5.439 0.287 -7.595) 9.346 4.305 ( 7.215 -0.742 -11.721) 13.784 4.502 ( 6.657 0.342 12.296) 13.987 4.666 ( 4.471 1.032 2.563) 5.255 4.852 ( 6.172 0.881 -1.141) 6.338 4.932 ( 2.640 -0.570 7.365) 7.845 4.947 ( 2.244 2.246 -0.749) 3.262 5.553 ( -4.608 -9.848 -5.698) 12.275 ======================= Grid point 198 (66/196) ======================= q-point: (-0.23 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -9.767 2.376 5.948) 11.680 0.862 ( -17.558 1.473 6.957) 18.943 1.413 ( -17.361 -0.526 4.864) 18.037 1.498 ( -13.296 0.512 -3.632) 13.793 2.031 ( -4.792 0.405 -11.564) 12.524 2.225 ( -9.378 -0.325 -0.547) 9.400 2.281 ( 0.134 -0.879 7.451) 7.503 2.545 ( -1.838 -0.993 -2.204) 3.037 2.588 ( 7.721 0.115 4.433) 8.904 2.764 ( -3.492 -0.264 9.155) 9.802 3.152 ( 1.514 -0.682 -8.512) 8.673 3.333 ( -4.293 0.461 1.715) 4.646 3.381 ( 1.673 0.733 0.251) 1.844 3.534 ( -1.111 -0.549 7.098) 7.205 3.583 ( -7.587 0.287 -2.378) 7.956 3.928 ( -2.054 -0.784 -0.941) 2.392 4.084 ( 4.100 0.409 -10.176) 10.978 4.373 ( -1.623 -0.660 -8.927) 9.097 4.615 ( 5.045 0.444 9.835) 11.062 4.678 ( 0.453 -0.937 0.799) 1.312 4.952 ( 4.505 0.019 2.560) 5.181 4.999 ( 3.536 -0.211 3.302) 4.842 5.020 ( 2.164 -1.002 1.200) 2.669 5.548 ( -0.795 -8.508 -6.964) 11.024 ======================= Grid point 199 (67/196) ======================= q-point: (-0.15 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.316 ( -7.544 5.431 6.231) 11.191 0.550 ( -13.139 2.282 14.050) 19.371 0.950 ( -23.257 1.822 22.935) 32.714 1.405 ( -2.597 -0.402 -14.139) 14.382 1.873 ( -9.194 0.387 -13.997) 16.751 2.112 ( -3.010 -0.081 6.261) 6.947 2.284 ( -0.160 -0.840 10.135) 10.171 2.539 ( 0.661 -0.705 -5.703) 5.784 2.699 ( -3.055 -0.238 8.664) 9.190 2.780 ( 11.246 -1.220 4.599) 12.211 3.189 ( 1.602 -0.697 -7.164) 7.374 3.250 ( -3.318 0.232 1.800) 3.782 3.401 ( -2.845 -0.215 -4.866) 5.641 3.459 ( -1.968 -0.426 -0.501) 2.075 3.543 ( 0.733 -1.108 6.170) 6.311 3.895 ( -1.545 -0.317 -0.245) 1.596 4.110 ( -2.472 -0.107 -9.935) 10.238 4.286 ( -5.788 -0.133 -2.917) 6.483 4.641 ( -4.399 0.215 2.119) 4.887 4.715 ( 1.975 -0.651 -6.333) 6.666 4.969 ( -8.226 -18.324 9.257) 22.117 5.033 ( 2.463 -1.227 4.947) 5.661 5.075 ( 3.217 2.296 4.977) 6.356 5.614 ( 4.050 1.195 -9.201) 10.123 ======================= Grid point 200 (68/196) ======================= q-point: (-0.08 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.191 ( -0.000 6.830 7.740) 10.323 0.399 ( -0.000 2.718 19.835) 20.021 0.669 ( -0.000 1.871 34.079) 34.131 1.382 ( 0.000 -0.231 -14.800) 14.802 1.771 ( -0.000 0.297 -13.208) 13.211 2.086 ( -0.000 0.237 7.229) 7.233 2.288 ( 0.000 -0.708 10.803) 10.827 2.555 ( 0.000 -0.579 -8.225) 8.246 2.663 ( 0.000 -0.006 9.622) 9.622 2.991 ( 0.000 -6.207 -0.021) 6.207 3.209 ( 0.000 -0.446 -6.040) 6.056 3.214 ( 0.000 -0.488 2.080) 2.137 3.342 ( -0.000 0.004 -5.158) 5.158 3.452 ( 0.000 -0.529 -1.668) 1.750 3.567 ( 0.000 -1.141 4.735) 4.871 3.882 ( 0.000 -0.028 0.284) 0.286 3.991 ( -0.000 0.190 2.984) 2.990 4.220 ( -0.000 0.258 -1.317) 1.342 4.531 ( 0.000 -2.703 -0.444) 2.739 4.738 ( 0.000 -0.414 -7.678) 7.689 5.008 ( 0.000 -23.396 17.985) 29.510 5.066 ( 0.000 -2.186 5.123) 5.570 5.094 ( -0.000 2.006 5.896) 6.228 5.626 ( -0.000 9.714 -10.814) 14.536 ======================= Grid point 203 (69/196) ======================= q-point: ( 0.15 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 13.347 0.000 3.794) 13.876 1.527 ( 14.186 0.000 -2.968) 14.493 1.683 ( 7.375 0.000 -5.577) 9.246 2.006 ( -3.079 -0.000 -4.617) 5.550 2.150 ( -5.288 -0.000 3.375) 6.273 2.274 ( 12.488 0.000 2.538) 12.743 2.541 ( 7.844 0.000 10.254) 12.910 2.590 ( 8.138 0.000 -8.169) 11.530 2.656 ( -2.021 -0.000 0.296) 2.042 2.951 ( 5.165 0.000 2.541) 5.756 3.143 ( 1.840 0.000 -5.182) 5.499 3.279 ( 0.590 0.000 1.492) 1.604 3.522 ( 3.434 0.000 5.893) 6.821 3.634 ( 4.193 0.000 5.494) 6.912 3.813 ( -4.355 -0.000 -5.270) 6.836 3.841 ( 0.604 0.000 -7.110) 7.136 3.980 ( -0.570 -0.000 -1.156) 1.289 4.165 ( -7.702 -0.000 -9.177) 11.980 4.372 ( -6.204 -0.000 13.081) 14.477 4.414 ( -13.182 -0.000 1.965) 13.327 4.735 ( -4.639 -0.000 -2.843) 5.441 4.868 ( -2.507 -0.000 1.400) 2.871 5.064 ( 8.378 0.000 5.543) 10.045 5.715 ( -1.875 -0.000 -5.478) 5.790 ======================= Grid point 204 (70/196) ======================= q-point: ( 0.23 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 11.660 0.904 1.858) 11.841 1.619 ( -2.023 0.352 -7.178) 7.466 1.931 ( 15.578 -0.043 0.381) 15.583 1.951 ( -2.366 -0.107 -0.727) 2.478 2.064 ( -3.497 0.141 5.590) 6.595 2.428 ( 6.139 0.009 -2.047) 6.471 2.579 ( -5.803 0.079 1.694) 6.046 2.712 ( 4.139 0.243 -8.259) 9.242 2.731 ( 10.021 0.055 6.172) 11.770 2.981 ( -1.354 -0.035 -4.772) 4.961 3.223 ( 5.634 -0.266 -1.568) 5.855 3.339 ( 5.279 -0.305 1.672) 5.546 3.559 ( 0.628 -0.300 4.992) 5.041 3.658 ( -8.519 -0.137 -8.614) 12.116 3.710 ( 3.395 -0.204 5.066) 6.102 3.882 ( -0.082 -0.118 -1.745) 1.751 3.969 ( 0.111 -0.070 -0.511) 0.528 4.059 ( -3.053 0.126 -4.724) 5.626 4.199 ( -8.863 -0.291 3.227) 9.436 4.265 ( -5.127 -0.022 12.344) 13.367 4.672 ( -1.912 -0.118 -2.980) 3.542 4.815 ( -3.021 0.128 0.411) 3.052 5.223 ( 8.162 0.242 2.940) 8.679 5.650 ( -4.626 0.860 -3.641) 5.949 ======================= Grid point 205 (71/196) ======================= q-point: ( 0.31 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 8.210 1.217 -1.071) 8.369 1.510 ( -8.843 -0.295 -3.698) 9.589 1.926 ( -0.120 -0.022 3.045) 3.047 1.993 ( -2.414 0.026 5.063) 5.609 2.223 ( 13.328 -0.006 1.335) 13.395 2.438 ( -9.190 0.038 2.138) 9.435 2.550 ( 6.847 -0.284 -5.929) 9.062 2.704 ( -4.766 0.334 -8.266) 9.547 2.891 ( 6.756 0.571 1.849) 7.028 2.940 ( -2.982 -0.442 -2.797) 4.113 3.334 ( 6.150 -0.046 -4.213) 7.455 3.428 ( -0.079 -0.100 -3.257) 3.260 3.533 ( -0.842 0.460 -2.582) 2.755 3.556 ( -1.782 -1.016 0.301) 2.074 3.775 ( 3.937 -0.227 5.548) 6.807 3.848 ( -2.546 -0.172 2.507) 3.577 3.987 ( 1.214 -0.249 -1.149) 1.690 4.035 ( -0.644 0.230 -1.298) 1.467 4.104 ( -0.878 -0.205 5.768) 5.838 4.174 ( -4.378 0.197 10.143) 11.049 4.666 ( 1.140 -0.405 -2.153) 2.470 4.754 ( -3.144 0.424 -0.914) 3.302 5.362 ( 6.477 -0.083 0.572) 6.503 5.532 ( -7.259 0.794 -1.916) 7.549 ======================= Grid point 206 (72/196) ======================= q-point: (-0.62 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -12.879 -1.774 0.024) 13.001 1.519 ( 4.152 -0.006 -4.829) 6.369 1.942 ( 1.520 0.699 4.317) 4.630 1.977 ( 0.903 -0.720 3.766) 3.939 2.226 ( -13.183 0.073 1.590) 13.279 2.434 ( 8.865 -0.063 1.989) 9.086 2.572 ( -7.727 0.318 -6.240) 9.937 2.673 ( 4.711 -0.556 -8.319) 9.577 2.855 ( -6.331 -0.460 2.345) 6.767 2.974 ( 2.172 0.526 -2.432) 3.303 3.339 ( -5.177 0.114 -5.268) 7.387 3.435 ( 1.029 0.117 -1.427) 1.763 3.531 ( 3.409 0.160 -4.889) 5.962 3.607 ( 3.406 0.636 1.312) 3.705 3.803 ( -1.775 0.667 4.398) 4.789 3.860 ( 3.800 0.106 1.855) 4.230 4.009 ( -1.283 0.390 -0.833) 1.578 4.015 ( 0.922 -0.340 -1.090) 1.467 4.122 ( 1.172 0.319 6.459) 6.572 4.152 ( 4.456 -0.478 10.349) 11.278 4.701 ( -1.709 0.584 -2.194) 2.842 4.713 ( 3.128 -0.755 -0.652) 3.283 5.372 ( -9.212 0.187 -0.205) 9.217 5.465 ( 3.880 -1.108 -1.541) 4.320 ======================= Grid point 207 (73/196) ======================= q-point: (-0.54 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -12.991 -3.625 2.895) 13.794 1.563 ( -0.084 -1.254 -7.657) 7.760 1.939 ( -15.134 0.208 0.458) 15.143 1.973 ( 2.003 0.762 -0.129) 2.147 2.034 ( 3.279 -0.949 5.018) 6.069 2.424 ( -7.952 -0.119 -2.577) 8.360 2.565 ( 4.979 -0.337 1.397) 5.182 2.692 ( -3.867 -0.196 -6.157) 7.274 2.713 ( -7.982 -0.489 4.804) 9.329 2.982 ( -0.921 -0.072 -3.332) 3.458 3.254 ( -3.918 0.516 -4.106) 5.699 3.391 ( -2.709 1.204 1.689) 3.412 3.610 ( -0.877 1.248 6.518) 6.694 3.676 ( 8.464 0.255 -8.773) 12.193 3.745 ( -4.215 0.813 3.506) 5.542 3.900 ( -0.041 0.373 -1.876) 1.913 3.979 ( -1.191 0.186 -0.478) 1.296 4.038 ( 2.565 -0.484 -4.131) 4.886 4.248 ( 8.947 0.991 7.640) 11.807 4.273 ( 10.059 0.416 7.672) 12.658 4.693 ( 1.540 0.582 -2.940) 3.370 4.785 ( 3.653 -0.946 1.240) 3.972 5.190 ( -9.806 -0.611 1.367) 9.920 5.516 ( 0.131 -2.951 -3.194) 4.350 ======================= Grid point 208 (74/196) ======================= q-point: (-0.46 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -10.594 -3.449 4.675) 12.082 1.504 ( -9.204 -1.047 -5.641) 10.846 1.653 ( -11.830 -0.517 -2.212) 12.046 2.022 ( 2.953 0.601 -4.224) 5.189 2.124 ( 5.062 -0.873 3.297) 6.104 2.242 ( -12.817 -0.809 1.768) 12.963 2.550 ( -6.624 0.246 9.666) 11.721 2.582 ( -7.467 -0.411 -7.221) 10.396 2.633 ( 0.584 -0.576 -0.559) 0.993 2.930 ( -4.883 -0.559 2.563) 5.543 3.181 ( -3.093 0.981 -5.784) 6.632 3.349 ( -0.479 1.978 1.126) 2.326 3.560 ( -3.433 1.013 7.866) 8.642 3.644 ( -5.355 0.162 4.244) 6.835 3.839 ( 7.987 0.607 -8.467) 11.655 3.847 ( -4.264 0.298 -3.825) 5.735 3.966 ( -0.648 -0.506 -0.902) 1.221 4.140 ( 7.490 -0.759 -8.621) 11.445 4.381 ( 6.834 0.422 12.921) 14.623 4.521 ( 14.249 3.200 1.078) 14.643 4.755 ( 5.195 0.777 -2.398) 5.774 4.858 ( 3.382 -1.010 3.655) 5.081 5.024 ( -7.401 -0.560 1.869) 7.654 5.501 ( -4.508 -6.083 -4.193) 8.655 ======================= Grid point 209 (75/196) ======================= q-point: (-0.38 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -8.430 -0.490 5.396) 10.021 1.220 ( -17.553 0.831 2.493) 17.749 1.524 ( -5.542 -1.831 -9.035) 10.756 1.917 ( -20.869 -0.213 6.555) 21.875 2.064 ( 1.071 0.444 -7.086) 7.181 2.224 ( 3.802 -1.010 3.484) 5.255 2.418 ( -9.664 -0.164 -6.968) 11.915 2.491 ( 1.040 0.379 8.625) 8.696 2.605 ( -4.170 -1.218 -2.101) 4.826 2.832 ( -4.686 -0.317 9.162) 10.296 3.138 ( -0.886 0.261 -8.035) 8.088 3.348 ( 1.170 1.517 0.140) 1.921 3.467 ( -5.455 0.949 4.416) 7.082 3.563 ( -3.159 -0.476 7.258) 7.930 3.732 ( -7.016 0.393 -2.718) 7.534 3.944 ( -0.917 -0.847 -2.341) 2.653 3.989 ( 6.243 0.443 -8.612) 10.647 4.296 ( 7.288 -0.750 -11.462) 13.603 4.506 ( 6.525 0.311 12.399) 14.015 4.676 ( 1.342 0.639 3.247) 3.571 4.863 ( 6.063 1.014 -0.183) 6.150 4.925 ( 3.857 -0.602 5.644) 6.863 4.981 ( 4.252 3.310 -1.319) 5.547 5.434 ( -6.324 -10.128 -4.585) 12.790 ======================= Grid point 210 (76/196) ======================= q-point: (-0.31 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -7.049 3.655 5.415) 9.611 0.881 ( -16.937 1.758 7.042) 18.426 1.404 ( -13.882 -0.989 1.338) 13.982 1.506 ( -15.639 0.764 -0.361) 15.662 2.036 ( -4.752 0.436 -11.164) 12.142 2.222 ( -9.155 -0.318 -0.408) 9.169 2.269 ( -0.202 -1.131 7.041) 7.134 2.532 ( -1.884 -1.079 -2.523) 3.328 2.589 ( 7.554 0.110 4.124) 8.607 2.761 ( -3.500 -0.331 9.423) 10.057 3.143 ( 1.137 -0.734 -8.747) 8.851 3.337 ( -4.167 0.332 1.375) 4.400 3.389 ( 0.414 0.664 0.739) 1.076 3.526 ( -1.500 -0.854 7.003) 7.213 3.586 ( -7.718 0.252 -2.391) 8.084 3.917 ( -1.938 -0.940 -0.836) 2.310 4.089 ( 3.983 0.475 -9.918) 10.698 4.366 ( -1.508 -0.615 -8.439) 8.594 4.619 ( 5.271 0.202 9.922) 11.237 4.665 ( 0.524 -1.242 1.392) 1.938 4.944 ( -1.976 -2.359 2.657) 4.065 4.973 ( -2.729 -2.330 1.396) 3.851 5.029 ( 5.447 1.770 3.299) 6.610 5.465 ( 5.677 -5.155 -5.366) 9.359 ======================= Grid point 211 (77/196) ======================= q-point: (-0.23 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -4.981 7.425 4.792) 10.144 0.582 ( -12.031 3.069 13.654) 18.455 0.974 ( -22.431 2.122 21.478) 31.128 1.400 ( -2.464 -0.415 -13.708) 13.934 1.878 ( -9.142 0.500 -13.823) 16.580 2.111 ( -2.849 -0.159 6.359) 6.969 2.272 ( -0.237 -1.200 9.990) 10.064 2.529 ( 0.607 -1.012 -5.765) 5.885 2.695 ( -2.753 -0.272 8.958) 9.375 2.767 ( 9.413 -0.939 3.620) 10.128 3.178 ( 1.559 -1.126 -7.903) 8.134 3.250 ( -3.971 -0.274 1.767) 4.354 3.397 ( -2.639 -0.354 -4.580) 5.297 3.454 ( -2.780 -0.403 -0.336) 2.829 3.527 ( -0.124 -1.565 6.428) 6.617 3.890 ( -1.274 -0.557 -0.201) 1.405 4.108 ( -3.204 -0.220 -8.770) 9.340 4.284 ( -5.285 -0.085 -2.721) 5.945 4.633 ( -10.912 -2.433 -0.775) 11.207 4.705 ( 2.038 -0.939 -6.603) 6.974 4.776 ( -6.225 -12.091 17.779) 22.384 5.028 ( 2.851 -0.208 6.274) 6.895 5.107 ( 3.686 3.121 3.497) 5.963 5.629 ( 8.170 1.296 -7.901) 11.439 ======================= Grid point 212 (78/196) ======================= q-point: (-0.15 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.287 ( -0.000 9.033 4.911) 10.282 0.442 ( -0.000 4.384 17.784) 18.316 0.698 ( -0.000 2.853 32.084) 32.211 1.379 ( 0.000 -0.253 -14.583) 14.585 1.776 ( -0.000 0.529 -13.114) 13.124 2.088 ( -0.000 0.042 7.449) 7.449 2.276 ( 0.000 -1.144 10.745) 10.806 2.546 ( 0.000 -1.012 -7.957) 8.021 2.663 ( 0.000 -0.011 9.625) 9.625 2.919 ( 0.000 -5.264 3.598) 6.376 3.201 ( 0.000 -0.938 -6.820) 6.884 3.206 ( 0.000 -0.862 2.072) 2.244 3.342 ( -0.000 0.003 -5.156) 5.156 3.443 ( 0.000 -0.932 -1.664) 1.907 3.546 ( 0.000 -2.240 5.727) 6.150 3.881 ( 0.000 -0.212 0.244) 0.323 3.994 ( -0.000 0.333 2.998) 3.016 4.224 ( -0.000 0.447 -1.322) 1.396 4.483 ( 0.000 -5.032 1.704) 5.313 4.731 ( 0.000 -0.726 -7.928) 7.961 4.808 ( 0.000 -9.693 21.084) 23.206 5.058 ( 0.000 -0.337 6.205) 6.214 5.124 ( -0.000 3.116 3.980) 5.054 5.700 ( -0.000 3.896 -10.449) 11.152 ======================= Grid point 217 (79/196) ======================= q-point: ( 0.23 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 8.079 0.000 -1.162) 8.162 1.508 ( -9.370 -0.000 -3.601) 10.038 1.926 ( -0.016 -0.000 2.978) 2.978 1.993 ( -2.522 -0.000 5.136) 5.722 2.223 ( 13.349 0.000 1.320) 13.414 2.438 ( -9.218 -0.000 2.149) 9.465 2.549 ( 6.794 0.000 -5.904) 9.001 2.706 ( -4.797 -0.000 -8.260) 9.552 2.895 ( 6.832 0.000 1.869) 7.083 2.938 ( -3.053 -0.000 -2.886) 4.201 3.334 ( 6.296 0.000 -4.138) 7.534 3.428 ( -0.084 -0.000 -3.377) 3.378 3.537 ( -0.479 -0.000 -3.442) 3.475 3.548 ( -1.818 -0.000 1.197) 2.176 3.774 ( 4.103 0.000 5.717) 7.037 3.847 ( -2.500 -0.000 2.514) 3.546 3.985 ( 1.183 0.000 -1.170) 1.664 4.036 ( -0.620 -0.000 -1.295) 1.435 4.102 ( -0.848 -0.000 5.707) 5.769 4.175 ( -4.375 -0.000 10.114) 11.020 4.664 ( 1.080 0.000 -2.148) 2.405 4.756 ( -3.119 -0.000 -0.938) 3.257 5.362 ( 6.278 0.000 0.629) 6.309 5.537 ( -7.492 -0.000 -1.942) 7.740 ======================= Grid point 218 (80/196) ======================= q-point: ( 0.31 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -13.639 -0.651 0.163) 13.655 1.519 ( 3.636 -0.015 -4.965) 6.154 1.949 ( 2.231 0.512 5.127) 5.615 1.969 ( 0.167 -0.520 2.961) 3.011 2.226 ( -13.186 0.029 1.633) 13.287 2.434 ( 8.832 -0.024 1.967) 9.048 2.574 ( -7.880 0.110 -6.263) 10.066 2.668 ( 4.775 -0.204 -8.330) 9.604 2.851 ( -6.267 -0.153 2.406) 6.715 2.978 ( 1.978 0.186 -2.391) 3.109 3.340 ( -5.166 0.046 -5.443) 7.504 3.436 ( 1.277 0.045 -1.150) 1.719 3.532 ( 3.785 0.068 -5.366) 6.567 3.612 ( 3.522 0.212 1.518) 3.841 3.809 ( -1.592 0.276 4.454) 4.738 3.860 ( 4.155 0.021 1.661) 4.475 4.011 ( 1.098 -0.067 -1.295) 1.699 4.013 ( -1.367 0.085 -0.515) 1.463 4.124 ( 1.077 0.124 6.504) 6.593 4.148 ( 4.571 -0.191 10.365) 11.330 4.706 ( -0.521 0.167 -1.769) 1.852 4.707 ( 1.843 -0.237 -1.056) 2.137 5.373 ( -9.569 0.071 -0.305) 9.574 5.456 ( 3.412 -0.399 -1.488) 3.743 ======================= Grid point 219 (81/196) ======================= q-point: (-0.62 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -13.317 -2.120 3.171) 13.852 1.551 ( -0.493 -0.714 -7.752) 7.801 1.941 ( -15.268 0.122 0.485) 15.276 1.982 ( 2.057 0.665 -0.422) 2.203 2.024 ( 3.336 -0.777 5.325) 6.331 2.423 ( -8.285 -0.078 -2.653) 8.699 2.562 ( 4.779 -0.198 1.280) 4.952 2.691 ( -3.107 -0.058 -7.491) 8.110 2.709 ( -8.328 -0.299 6.238) 10.410 2.981 ( -1.302 -0.057 -3.062) 3.328 3.259 ( -3.654 0.259 -4.456) 5.768 3.402 ( -2.197 0.690 1.669) 2.844 3.622 ( -1.208 0.771 6.960) 7.106 3.678 ( 8.833 0.090 -9.168) 12.731 3.753 ( -4.544 0.456 3.312) 5.641 3.903 ( -0.047 0.206 -1.884) 1.895 3.980 ( -1.523 0.096 -0.460) 1.594 4.033 ( 2.433 -0.273 -3.921) 4.623 4.256 ( 7.278 0.401 11.752) 13.829 4.278 ( 12.981 0.435 3.402) 13.426 4.699 ( 1.548 0.383 -2.940) 3.344 4.775 ( 3.602 -0.633 1.436) 3.929 5.185 ( -10.047 -0.313 1.047) 10.107 5.489 ( -0.811 -1.672 -3.115) 3.627 ======================= Grid point 220 (82/196) ======================= q-point: (-0.54 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -9.423 -2.472 4.991) 10.946 1.492 ( -7.943 -0.898 -6.293) 10.173 1.649 ( -13.019 -0.240 -1.380) 13.094 2.029 ( 2.843 0.518 -4.252) 5.141 2.114 ( 5.094 -0.711 3.472) 6.206 2.234 ( -12.906 -0.559 1.581) 13.015 2.553 ( -6.452 0.183 9.633) 11.596 2.577 ( -6.964 -0.382 -7.045) 9.914 2.628 ( -0.071 -0.367 -0.963) 1.033 2.924 ( -4.847 -0.385 2.721) 5.572 3.190 ( -3.174 0.659 -6.091) 6.899 3.370 ( -0.458 1.456 1.067) 1.863 3.570 ( -3.596 0.702 8.389) 9.154 3.645 ( -5.886 0.024 3.925) 7.074 3.843 ( 7.635 0.206 -10.699) 13.145 3.852 ( -3.910 0.435 -1.542) 4.226 3.961 ( -0.950 -0.406 -0.847) 1.336 4.132 ( 7.447 -0.548 -8.427) 11.259 4.386 ( 6.852 0.319 13.043) 14.737 4.554 ( 14.627 2.411 0.589) 14.836 4.764 ( 5.500 0.777 -2.195) 5.973 4.844 ( 2.888 -1.252 4.284) 5.316 5.020 ( -6.107 -0.014 0.808) 6.161 5.438 ( -6.442 -4.405 -3.893) 8.721 ======================= Grid point 221 (83/196) ======================= q-point: (-0.46 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -5.810 0.081 5.257) 7.835 1.228 ( -16.998 0.643 2.436) 17.183 1.503 ( -5.552 -1.573 -8.375) 10.171 1.915 ( -20.242 -0.250 6.117) 21.148 2.069 ( 1.047 0.389 -6.991) 7.080 2.213 ( 3.640 -0.864 3.671) 5.241 2.416 ( -9.649 -0.164 -7.033) 11.941 2.495 ( 1.044 0.319 8.413) 8.483 2.592 ( -4.304 -1.025 -2.299) 4.987 2.828 ( -4.610 -0.284 9.230) 10.321 3.142 ( -1.427 0.339 -8.168) 8.299 3.365 ( 0.669 1.422 0.075) 1.574 3.476 ( -5.772 0.485 4.400) 7.274 3.556 ( -3.484 -0.650 7.410) 8.214 3.736 ( -7.073 0.316 -2.740) 7.592 3.934 ( -1.310 -0.758 -1.719) 2.290 3.994 ( 6.536 0.410 -8.990) 11.123 4.288 ( 7.415 -0.596 -11.269) 13.503 4.509 ( 6.317 0.222 12.546) 14.048 4.681 ( -1.454 0.162 4.029) 4.286 4.875 ( 5.599 0.897 1.208) 5.797 4.919 ( 6.034 -0.323 3.124) 6.803 5.024 ( 5.224 4.024 -1.601) 6.786 5.322 ( -7.245 -8.915 -3.703) 12.070 ======================= Grid point 222 (84/196) ======================= q-point: (-0.38 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -4.213 4.305 4.557) 7.553 0.901 ( -16.297 1.625 7.149) 17.870 1.390 ( -11.545 -1.190 -0.657) 11.625 1.515 ( -16.874 0.643 1.524) 16.955 2.041 ( -4.741 0.380 -10.801) 11.802 2.218 ( -8.837 -0.187 -0.217) 8.842 2.255 ( -0.619 -1.182 6.671) 6.803 2.520 ( -2.051 -0.973 -2.936) 3.712 2.591 ( 7.619 0.125 3.911) 8.565 2.757 ( -3.511 -0.327 9.684) 10.306 3.136 ( 0.629 -0.566 -8.937) 8.976 3.341 ( -4.789 0.240 1.457) 5.011 3.395 ( -0.262 0.250 0.431) 0.563 3.514 ( -1.720 -1.011 7.492) 7.753 3.589 ( -7.959 0.194 -2.592) 8.373 3.906 ( -1.833 -0.890 -0.707) 2.157 4.094 ( 3.831 0.428 -9.644) 10.386 4.359 ( -1.348 -0.436 -8.113) 8.236 4.619 ( 5.172 -0.171 10.664) 11.854 4.650 ( 0.553 -1.303 1.768) 2.265 4.894 ( -15.873 -4.858 0.078) 16.599 4.963 ( 2.937 -0.149 4.822) 5.648 5.052 ( 7.006 1.943 2.159) 7.584 5.427 ( 11.675 -1.700 -4.543) 12.643 ======================= Grid point 223 (85/196) ======================= q-point: (-0.31 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -2.962 7.985 3.413) 9.175 0.619 ( -10.895 3.089 13.325) 17.487 0.996 ( -21.656 1.547 20.006) 29.524 1.395 ( -2.282 -0.291 -13.144) 13.343 1.884 ( -9.043 0.498 -13.594) 16.334 2.109 ( -2.793 -0.152 6.370) 6.957 2.257 ( -0.288 -1.340 9.846) 9.941 2.516 ( 0.546 -1.086 -5.821) 5.946 2.693 ( -2.546 -0.191 9.173) 9.521 2.758 ( 8.303 -0.506 2.690) 8.743 3.164 ( 1.374 -1.322 -8.517) 8.728 3.244 ( -4.658 -0.769 1.855) 5.072 3.393 ( -2.365 -0.435 -4.325) 4.948 3.450 ( -3.782 -0.235 -0.464) 3.818 3.508 ( -0.746 -1.628 6.910) 7.138 3.882 ( -1.096 -0.725 -0.132) 1.321 4.105 ( -4.001 -0.296 -7.248) 8.284 4.284 ( -4.768 0.018 -2.542) 5.403 4.569 ( -17.700 -6.909 3.069) 19.247 4.694 ( 2.257 -1.005 -6.819) 7.252 4.707 ( 2.811 -1.550 14.330) 14.685 5.026 ( 2.782 -0.094 6.847) 7.391 5.146 ( 4.199 3.341 2.904) 6.101 5.644 ( 9.574 1.234 -6.870) 11.849 ======================= Grid point 224 (86/196) ======================= q-point: (-0.23 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( -0.000 9.326 3.829) 10.082 0.497 ( -0.000 4.764 15.661) 16.370 0.731 ( -0.000 2.611 29.569) 29.684 1.377 ( 0.000 -0.142 -14.208) 14.209 1.783 ( -0.000 0.641 -12.980) 12.996 2.087 ( 0.000 -0.170 7.675) 7.677 2.262 ( 0.000 -1.348 10.579) 10.665 2.533 ( 0.000 -1.200 -7.647) 7.741 2.663 ( 0.000 -0.014 9.629) 9.629 2.872 ( 0.000 -2.739 3.350) 4.327 3.188 ( 0.000 -1.397 -7.753) 7.878 3.195 ( 0.000 -1.039 2.061) 2.308 3.342 ( 0.000 -0.004 -5.155) 5.155 3.431 ( 0.000 -1.112 -1.658) 1.997 3.518 ( 0.000 -2.368 7.074) 7.460 3.876 ( 0.000 -0.525 0.213) 0.566 3.998 ( -0.000 0.396 3.015) 3.041 4.230 ( -0.000 0.525 -1.330) 1.429 4.429 ( 0.000 -3.729 2.359) 4.412 4.722 ( 0.000 -0.881 -8.179) 8.227 4.745 ( 0.000 -2.432 15.521) 15.711 5.055 ( 0.000 -0.200 7.013) 7.016 5.165 ( -0.000 3.732 3.303) 4.984 5.732 ( -0.000 1.967 -8.808) 9.024 ======================= Grid point 231 (87/196) ======================= q-point: (-0.69 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -13.440 -0.000 3.277) 13.834 1.547 ( -0.639 -0.000 -7.786) 7.812 1.942 ( -15.322 -0.000 0.496) 15.330 1.987 ( 2.011 0.000 -0.898) 2.202 2.019 ( 3.429 0.000 5.806) 6.743 2.423 ( -8.401 -0.000 -2.677) 8.818 2.561 ( 4.706 0.000 1.234) 4.865 2.690 ( -2.710 -0.000 -8.297) 8.728 2.707 ( -8.581 -0.000 7.076) 11.123 2.981 ( -1.432 -0.000 -2.967) 3.295 3.261 ( -3.567 -0.000 -4.569) 5.796 3.406 ( -2.012 -0.000 1.660) 2.608 3.627 ( -1.417 -0.000 7.214) 7.351 3.678 ( 9.070 0.000 -9.427) 13.082 3.755 ( -4.681 -0.000 3.255) 5.702 3.905 ( -0.049 -0.000 -1.886) 1.886 3.981 ( -1.653 -0.000 -0.450) 1.713 4.031 ( 2.383 0.000 -3.840) 4.519 4.258 ( 6.711 0.000 13.207) 14.814 4.281 ( 14.018 0.000 1.882) 14.144 4.701 ( 1.569 0.000 -2.952) 3.343 4.771 ( 3.555 0.000 1.520) 3.866 5.183 ( -10.123 -0.000 0.934) 10.166 5.479 ( -1.155 -0.000 -3.088) 3.297 ======================= Grid point 233 (88/196) ======================= q-point: (-0.62 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -8.660 -0.896 5.179) 10.130 1.484 ( -7.341 -0.353 -6.596) 9.875 1.647 ( -13.599 -0.063 -0.980) 13.635 2.034 ( 2.732 0.216 -4.370) 5.158 2.108 ( 5.169 -0.285 3.685) 6.354 2.229 ( -12.967 -0.200 1.484) 13.053 2.554 ( -6.408 0.073 9.805) 11.713 2.573 ( -6.612 -0.161 -7.134) 9.728 2.625 ( -0.474 -0.124 -1.213) 1.309 2.921 ( -4.830 -0.137 2.826) 5.598 3.196 ( -3.179 0.230 -6.265) 7.029 3.382 ( -0.413 0.543 1.020) 1.227 3.576 ( -3.720 0.251 8.678) 9.445 3.645 ( -6.254 -0.015 3.760) 7.297 3.845 ( 6.221 0.045 -10.754) 12.424 3.856 ( -2.494 0.186 -1.454) 2.893 3.957 ( -1.106 -0.157 -0.821) 1.386 4.128 ( 7.424 -0.199 -8.313) 11.147 4.388 ( 6.856 0.118 13.103) 14.789 4.574 ( 14.847 0.907 0.299) 14.878 4.771 ( 5.857 0.403 -2.179) 6.262 4.832 ( 2.280 -0.644 4.667) 5.233 5.021 ( -5.070 0.089 0.303) 5.080 5.402 ( -7.652 -1.626 -3.737) 8.670 ======================= Grid point 234 (89/196) ======================= q-point: (-0.54 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -3.713 0.275 5.040) 6.266 1.234 ( -16.564 0.336 2.361) 16.735 1.488 ( -5.617 -0.912 -7.865) 9.708 1.912 ( -19.872 -0.187 5.864) 20.720 2.073 ( 1.006 0.238 -6.999) 7.075 2.205 ( 3.546 -0.504 3.885) 5.284 2.414 ( -9.623 -0.105 -7.081) 11.948 2.498 ( 1.099 0.186 8.270) 8.345 2.582 ( -4.444 -0.587 -2.459) 5.113 2.826 ( -4.560 -0.167 9.289) 10.349 3.145 ( -1.769 0.237 -8.302) 8.491 3.379 ( 0.458 0.954 -0.043) 1.059 3.479 ( -6.275 0.098 4.201) 7.553 3.549 ( -3.701 -0.494 7.818) 8.664 3.739 ( -7.115 0.175 -2.763) 7.634 3.927 ( -1.470 -0.441 -1.404) 2.081 3.998 ( 6.637 0.241 -9.125) 11.286 4.282 ( 7.534 -0.328 -11.150) 13.461 4.511 ( 6.128 0.112 12.667) 14.072 4.681 ( -3.222 -0.052 4.623) 5.635 4.883 ( 4.857 0.530 2.781) 5.621 4.917 ( 7.956 -0.109 0.741) 7.992 5.074 ( 6.734 4.459 -1.909) 8.299 5.228 ( -8.597 -6.939 -3.093) 11.473 ======================= Grid point 235 (90/196) ======================= q-point: (-0.46 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -1.942 3.600 3.604) 5.451 0.918 ( -15.779 1.127 7.251) 17.401 1.377 ( -10.333 -0.998 -1.304) 10.462 1.520 ( -17.284 0.331 2.253) 17.434 2.044 ( -4.756 0.261 -10.561) 11.586 2.217 ( -8.611 0.029 -0.143) 8.613 2.242 ( -0.905 -1.007 6.545) 6.684 2.510 ( -2.181 -0.681 -3.275) 3.993 2.592 ( 7.732 0.109 3.740) 8.590 2.753 ( -3.526 -0.242 9.888) 10.501 3.130 ( 0.142 -0.318 -9.084) 9.091 3.343 ( -5.938 0.207 1.873) 6.230 3.395 ( -0.279 -0.126 -0.520) 0.604 3.503 ( -1.788 -0.830 8.320) 8.551 3.591 ( -8.154 0.129 -2.793) 8.620 3.897 ( -1.769 -0.639 -0.581) 1.968 4.099 ( 3.684 0.291 -9.418) 10.117 4.355 ( -1.194 -0.240 -7.950) 8.042 4.615 ( 4.585 -0.426 12.419) 13.245 4.636 ( 0.471 -0.961 1.114) 1.545 4.846 ( -19.427 -3.231 -0.619) 19.704 4.962 ( 3.571 -0.005 5.386) 6.462 5.072 ( 7.948 1.452 1.579) 8.232 5.417 ( 14.687 -0.176 -4.089) 15.246 ======================= Grid point 236 (91/196) ======================= q-point: (-0.38 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -1.565 6.983 2.167) 7.478 0.652 ( -9.972 2.449 13.113) 16.655 1.008 ( -21.188 0.555 18.999) 28.464 1.393 ( -2.101 -0.145 -12.567) 12.742 1.889 ( -8.923 0.399 -13.372) 16.080 2.108 ( -2.810 -0.067 6.278) 6.878 2.241 ( -0.320 -1.195 9.768) 9.846 2.504 ( 0.489 -0.907 -5.873) 5.963 2.691 ( -2.525 -0.090 9.336) 9.672 2.754 ( 7.890 -0.226 1.995) 8.141 3.149 ( 1.042 -1.168 -8.887) 9.024 3.234 ( -5.115 -0.883 1.990) 5.559 3.387 ( -2.117 -0.416 -4.223) 4.742 3.448 ( -4.707 -0.071 -0.888) 4.790 3.490 ( -0.941 -1.298 7.597) 7.765 3.873 ( -1.028 -0.695 -0.049) 1.242 4.102 ( -4.588 -0.264 -5.794) 7.396 4.285 ( -4.352 0.085 -2.419) 4.980 4.502 ( -14.294 -4.302 5.252) 15.824 4.683 ( 2.406 -0.827 -6.994) 7.443 4.701 ( 2.706 0.038 10.742) 11.077 5.025 ( 2.717 -0.038 7.040) 7.546 5.183 ( 4.684 2.812 2.648) 6.071 5.657 ( 9.905 0.960 -6.058) 11.650 ======================= Grid point 237 (92/196) ======================= q-point: (-0.31 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -0.000 8.570 3.752) 9.355 0.550 ( -0.000 4.112 13.996) 14.588 0.755 ( -0.000 1.386 27.197) 27.232 1.376 ( 0.000 -0.008 -13.714) 13.714 1.791 ( -0.000 0.607 -12.838) 12.852 2.085 ( 0.000 -0.186 7.702) 7.704 2.246 ( 0.000 -1.331 10.434) 10.518 2.519 ( 0.000 -1.118 -7.402) 7.486 2.663 ( 0.000 -0.014 9.632) 9.632 2.851 ( 0.000 -1.160 2.207) 2.493 3.170 ( 0.000 -1.581 -8.463) 8.610 3.183 ( 0.000 -0.978 2.052) 2.273 3.342 ( 0.000 -0.016 -5.152) 5.152 3.418 ( 0.000 -1.033 -1.654) 1.950 3.494 ( 0.000 -1.766 8.052) 8.243 3.869 ( 0.000 -0.703 0.235) 0.741 4.003 ( -0.000 0.368 3.032) 3.054 4.236 ( -0.000 0.480 -1.336) 1.420 4.397 ( 0.000 -1.889 1.176) 2.225 4.711 ( 0.000 -0.849 -8.166) 8.210 4.731 ( 0.000 -0.518 12.297) 12.307 5.054 ( 0.000 -0.118 7.340) 7.341 5.209 ( -0.000 3.572 3.051) 4.697 5.750 ( -0.000 1.149 -7.478) 7.566 ======================= Grid point 246 (93/196) ======================= q-point: (-0.62 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -2.906 -0.000 4.934) 5.726 1.236 ( -16.397 -0.000 2.325) 16.561 1.483 ( -5.658 -0.000 -7.669) 9.530 1.911 ( -19.754 -0.000 5.783) 20.583 2.074 ( 0.984 0.000 -7.021) 7.090 2.202 ( 3.517 0.000 3.984) 5.314 2.414 ( -9.610 -0.000 -7.100) 11.948 2.499 ( 1.133 0.000 8.223) 8.301 2.579 ( -4.508 -0.000 -2.524) 5.167 2.825 ( -4.543 -0.000 9.312) 10.361 3.147 ( -1.883 -0.000 -8.356) 8.565 3.385 ( 0.448 0.000 -0.124) 0.465 3.479 ( -6.563 -0.000 4.073) 7.724 3.546 ( -3.766 -0.000 8.065) 8.901 3.740 ( -7.130 -0.000 -2.773) 7.650 3.924 ( -1.514 -0.000 -1.303) 1.998 3.999 ( 6.662 0.000 -9.159) 11.326 4.281 ( 7.582 0.000 -11.110) 13.450 4.512 ( 6.052 0.000 12.712) 14.079 4.680 ( -3.802 -0.000 4.838) 6.153 4.887 ( 4.438 0.000 3.569) 5.696 4.916 ( 8.780 0.000 -0.334) 8.786 5.114 ( 14.059 0.000 -2.051) 14.208 5.174 ( -15.847 -0.000 -2.864) 16.104 ======================= Grid point 248 (94/196) ======================= q-point: (-0.54 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -0.686 1.420 2.957) 3.351 0.927 ( -15.490 0.399 7.316) 17.136 1.369 ( -9.868 -0.398 -1.348) 9.967 1.523 ( -17.360 0.085 2.434) 17.530 2.047 ( -4.776 0.094 -10.457) 11.496 2.219 ( -9.187 0.150 -0.840) 9.226 2.232 ( -0.353 -0.505 7.259) 7.285 2.505 ( -2.243 -0.245 -3.462) 4.132 2.593 ( 7.808 0.044 3.637) 8.613 2.751 ( -3.538 -0.090 10.001) 10.609 3.128 ( -0.155 -0.097 -9.170) 9.171 3.345 ( -7.009 0.103 2.347) 7.393 3.394 ( 0.091 -0.132 -1.462) 1.471 3.496 ( -1.775 -0.318 8.971) 9.151 3.592 ( -8.252 0.046 -2.903) 8.748 3.892 ( -1.743 -0.233 -0.500) 1.829 4.101 ( 3.592 0.103 -9.291) 9.961 4.354 ( -1.101 -0.074 -7.891) 7.968 4.611 ( 3.757 -0.252 13.965) 14.464 4.628 ( 0.543 -0.324 0.157) 0.652 4.821 ( -19.878 -1.054 -0.993) 19.931 4.962 ( 3.706 0.004 5.507) 6.638 5.084 ( 8.423 0.535 1.354) 8.548 5.418 ( 15.745 0.071 -3.870) 16.214 ======================= Grid point 249 (95/196) ======================= q-point: (-0.46 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -0.571 4.248 1.103) 4.426 0.675 ( -9.393 1.342 12.998) 16.093 1.010 ( -21.151 -0.112 18.672) 28.214 1.392 ( -1.965 -0.049 -12.143) 12.301 1.893 ( -8.826 0.222 -13.214) 15.892 2.107 ( -2.847 0.002 6.146) 6.773 2.230 ( -0.337 -0.722 9.765) 9.797 2.496 ( 0.449 -0.514 -5.919) 5.958 2.690 ( -2.597 -0.028 9.463) 9.813 2.752 ( 7.832 -0.081 1.565) 7.987 3.138 ( 0.710 -0.682 -9.054) 9.107 3.225 ( -5.319 -0.572 2.095) 5.745 3.383 ( -1.948 -0.266 -4.229) 4.664 3.448 ( -5.454 0.015 -1.516) 5.661 3.478 ( -0.768 -0.713 8.389) 8.455 3.867 ( -1.018 -0.427 0.017) 1.104 4.099 ( -4.884 -0.146 -4.811) 6.857 4.286 ( -4.094 0.072 -2.356) 4.724 4.467 ( -11.748 -1.835 5.040) 12.914 4.675 ( 2.495 -0.470 -7.041) 7.484 4.702 ( 2.385 0.112 9.619) 9.911 5.025 ( 2.675 -0.011 7.089) 7.577 5.209 ( 5.035 1.605 2.531) 5.859 5.666 ( 9.888 0.520 -5.522) 11.338 ======================= Grid point 250 (96/196) ======================= q-point: (-0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -0.000 2.747 12.906) 13.195 0.593 ( -0.000 6.855 3.564) 7.726 0.762 ( 0.000 -0.300 25.896) 25.897 1.376 ( -0.000 0.059 -13.250) 13.250 1.797 ( -0.000 0.432 -12.719) 12.726 2.083 ( 0.000 -0.092 7.586) 7.587 2.232 ( 0.000 -1.013 10.362) 10.411 2.507 ( 0.000 -0.790 -7.258) 7.301 2.663 ( 0.000 -0.011 9.634) 9.634 2.842 ( 0.000 -0.409 1.367) 1.427 3.152 ( 0.000 -1.267 -8.809) 8.899 3.173 ( 0.000 -0.694 2.046) 2.160 3.341 ( 0.000 -0.021 -5.145) 5.145 3.408 ( 0.000 -0.721 -1.655) 1.805 3.478 ( 0.000 -0.992 8.519) 8.576 3.861 ( 0.000 -0.593 0.274) 0.653 4.006 ( -0.000 0.258 3.045) 3.056 4.241 ( -0.000 0.333 -1.342) 1.382 4.382 ( 0.000 -0.799 0.077) 0.803 4.703 ( 0.000 -0.589 -8.309) 8.330 4.728 ( 0.000 -0.082 10.997) 10.998 5.053 ( 0.000 -0.058 7.459) 7.459 5.245 ( -0.000 2.573 2.938) 3.905 5.760 ( -0.000 0.623 -6.543) 6.573 ======================= Grid point 261 (97/196) ======================= q-point: (-0.54 0.46 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -0.106 -0.000 0.607) 0.616 0.683 ( -9.223 -0.000 12.966) 15.911 1.009 ( -21.262 -0.000 18.702) 28.316 1.391 ( -1.914 -0.000 -11.990) 12.142 1.894 ( -8.789 -0.000 -13.157) 15.822 2.107 ( -2.865 -0.000 6.081) 6.722 2.225 ( -0.342 -0.000 9.779) 9.785 2.493 ( 0.434 0.000 -5.938) 5.953 2.690 ( -2.639 -0.000 9.513) 9.873 2.752 ( 7.846 0.000 1.418) 7.973 3.134 ( 0.571 0.000 -9.098) 9.116 3.222 ( -5.369 -0.000 2.132) 5.777 3.382 ( -1.886 -0.000 -4.241) 4.642 3.448 ( -5.805 -0.000 -1.910) 6.111 3.474 ( -0.585 -0.000 8.836) 8.856 3.864 ( -1.020 -0.000 0.043) 1.021 4.098 ( -4.966 -0.000 -4.474) 6.684 4.286 ( -4.007 -0.000 -2.337) 4.639 4.457 ( -10.915 -0.000 4.818) 11.931 4.672 ( 2.531 0.000 -7.052) 7.493 4.703 ( 2.289 0.000 9.349) 9.625 5.025 ( 2.661 0.000 7.097) 7.579 5.219 ( 5.163 0.000 2.495) 5.734 5.669 ( 9.850 0.000 -5.333) 11.201 ======================= Grid point 263 (98/196) ======================= q-point: (-0.46 0.46 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -0.000 0.962 12.373) 12.410 0.656 ( -0.000 3.367 0.997) 3.511 0.751 ( 0.000 -1.083 27.769) 27.790 1.377 ( -0.000 0.033 -12.973) 12.973 1.800 ( -0.000 0.156 -12.652) 12.653 2.083 ( 0.000 -0.019 7.473) 7.473 2.223 ( 0.000 -0.384 10.346) 10.353 2.501 ( 0.000 -0.285 -7.199) 7.204 2.663 ( 0.000 -0.004 9.635) 9.635 2.839 ( 0.000 -0.093 0.972) 0.977 3.142 ( 0.000 -0.485 -8.910) 8.924 3.167 ( 0.000 -0.251 2.043) 2.058 3.341 ( 0.000 -0.011 -5.138) 5.138 3.402 ( 0.000 -0.257 -1.659) 1.679 3.470 ( 0.000 -0.309 8.661) 8.667 3.856 ( 0.000 -0.230 0.299) 0.377 4.008 ( -0.000 0.092 3.052) 3.054 4.244 ( -0.000 0.119 -1.344) 1.350 4.376 ( 0.000 -0.213 -0.482) 0.527 4.698 ( 0.000 -0.209 -8.453) 8.455 4.727 ( 0.000 -0.005 10.587) 10.587 5.052 ( 0.000 -0.017 7.495) 7.495 5.267 ( -0.000 0.937 2.884) 3.033 5.765 ( -0.000 0.197 -6.053) 6.056 ======================= Grid point 350 (99/196) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 0.000 0.000 15.648) 15.648 0.762 ( 0.000 0.000 20.397) 20.397 1.031 ( 0.000 0.000 -14.664) 14.664 1.319 ( 0.000 0.000 28.786) 28.786 1.477 ( 0.000 0.000 -17.783) 17.783 2.244 ( 0.000 0.000 5.761) 5.761 2.312 ( 0.000 0.000 -14.952) 14.952 2.455 ( 0.000 0.000 4.784) 4.784 2.859 ( 0.000 0.000 10.867) 10.867 2.962 ( 0.000 0.000 -1.936) 1.936 3.105 ( 0.000 0.000 -5.802) 5.802 3.217 ( 0.000 0.000 -8.093) 8.093 3.270 ( 0.000 0.000 3.545) 3.545 3.409 ( 0.000 0.000 -3.241) 3.241 3.674 ( 0.000 0.000 6.168) 6.168 3.866 ( 0.000 0.000 -2.417) 2.417 4.056 ( 0.000 0.000 3.938) 3.938 4.183 ( 0.000 0.000 -2.548) 2.548 4.534 ( 0.000 0.000 -0.068) 0.068 4.624 ( 0.000 0.000 -5.078) 5.078 5.078 ( 0.000 0.000 1.564) 1.564 5.199 ( 0.000 0.000 -4.120) 4.120 5.250 ( 0.000 0.000 8.347) 8.347 5.463 ( 0.000 0.000 -3.090) 3.090 ======================= Grid point 351 (100/196) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 7.464 -0.970 13.824) 15.741 0.847 ( 8.151 -0.554 17.785) 19.571 1.093 ( 5.347 0.078 -15.436) 16.336 1.440 ( 12.708 -0.337 26.746) 29.613 1.567 ( 8.332 -0.260 -18.000) 19.836 2.249 ( 0.740 0.020 5.965) 6.011 2.331 ( 2.324 0.106 -14.784) 14.966 2.439 ( -1.683 0.303 3.782) 4.151 2.850 ( -8.539 0.659 2.943) 9.056 2.887 ( 2.455 -0.008 10.044) 10.339 3.079 ( -1.984 0.543 -5.382) 5.761 3.274 ( 4.275 0.214 -8.224) 9.271 3.302 ( 3.340 -0.220 3.424) 4.789 3.432 ( 2.304 0.082 -2.583) 3.462 3.672 ( 0.081 0.228 6.786) 6.790 3.875 ( 0.956 0.078 -2.689) 2.855 4.036 ( -2.231 -0.168 1.204) 2.541 4.207 ( 1.449 -0.054 -5.318) 5.512 4.642 ( 2.699 0.542 -2.193) 3.520 4.647 ( 7.961 0.332 -1.257) 8.066 5.041 ( -4.074 -0.730 1.126) 4.289 5.136 ( -5.348 2.217 -2.864) 6.459 5.221 ( -2.751 0.083 8.357) 8.798 5.460 ( -0.126 0.147 -5.752) 5.755 ======================= Grid point 352 (101/196) ======================= q-point: ( 0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 10.521 -0.731 11.605) 15.681 1.052 ( 12.594 -0.734 12.962) 18.088 1.202 ( 6.163 0.223 -13.434) 14.782 1.729 ( 8.211 -0.012 -15.510) 17.550 1.768 ( 18.968 -0.601 16.669) 25.258 2.280 ( 2.735 0.232 4.199) 5.016 2.385 ( -3.749 0.565 1.653) 4.136 2.412 ( 6.578 0.406 -12.307) 13.961 2.710 ( -5.115 0.354 7.859) 9.383 2.916 ( -0.209 0.116 2.957) 2.967 3.060 ( 1.228 0.528 0.905) 1.614 3.317 ( 0.237 0.122 -5.099) 5.106 3.393 ( 5.651 -0.888 3.592) 6.755 3.519 ( 6.770 -0.150 -3.139) 7.464 3.680 ( 0.928 0.227 7.223) 7.286 3.892 ( 0.288 0.273 -3.927) 3.947 3.977 ( -3.663 -0.228 -0.375) 3.689 4.195 ( -3.186 0.049 -9.847) 10.350 4.703 ( 3.480 0.820 1.916) 4.056 4.739 ( 0.712 -0.569 3.042) 3.175 4.939 ( -7.071 -1.143 -0.227) 7.166 4.997 ( -7.970 -0.134 -2.206) 8.271 5.160 ( -2.955 0.669 8.831) 9.337 5.467 ( 2.394 4.064 -9.191) 10.331 ======================= Grid point 353 (102/196) ======================= q-point: ( 0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 11.031 0.693 9.970) 14.885 1.307 ( 9.679 -0.098 4.529) 10.687 1.330 ( 11.469 0.233 -8.742) 14.423 1.831 ( 3.342 -0.447 -14.969) 15.345 2.130 ( 17.266 0.504 13.049) 21.648 2.300 ( -4.168 0.560 2.396) 4.840 2.350 ( 4.663 0.176 -1.725) 4.975 2.557 ( 7.878 0.885 -6.894) 10.506 2.659 ( -0.271 -0.016 8.897) 8.901 2.888 ( -1.961 0.183 -4.127) 4.573 3.111 ( 3.753 -0.139 6.102) 7.165 3.309 ( -0.607 -0.825 -1.798) 2.069 3.519 ( 6.725 -0.993 4.353) 8.072 3.656 ( 6.896 -0.145 -3.458) 7.715 3.701 ( 1.227 -0.013 5.746) 5.876 3.835 ( -6.086 -0.260 -4.265) 7.436 3.947 ( 0.306 0.336 -1.234) 1.315 4.100 ( -6.006 0.227 -10.347) 11.966 4.681 ( -8.270 -0.913 2.261) 8.622 4.694 ( -4.099 -0.469 7.543) 8.598 4.799 ( -7.992 -1.138 -2.490) 8.447 4.894 ( -2.426 -1.344 -2.300) 3.603 5.128 ( 1.174 2.038 10.351) 10.614 5.498 ( 3.488 5.498 -9.696) 11.680 ======================= Grid point 354 (103/196) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 10.433 2.436 7.836) 13.274 1.412 ( 4.405 1.584 -9.090) 10.225 1.619 ( 15.861 -0.352 1.403) 15.927 1.883 ( 2.310 -0.446 -8.878) 9.184 2.222 ( -2.680 0.513 5.157) 5.835 2.381 ( 8.188 1.041 9.045) 12.245 2.447 ( 5.304 0.037 -6.854) 8.666 2.653 ( 2.173 0.961 -0.452) 2.419 2.699 ( 4.275 -0.152 5.818) 7.222 2.852 ( -1.707 0.041 -8.384) 8.557 3.196 ( 4.742 -0.571 6.089) 7.739 3.323 ( 1.688 -1.488 0.283) 2.268 3.634 ( 3.141 -1.288 4.391) 5.550 3.693 ( -7.049 -0.129 -3.530) 7.884 3.718 ( 1.685 0.065 1.648) 2.358 3.785 ( 4.506 -0.740 -3.013) 5.471 3.953 ( 0.332 0.154 -1.309) 1.359 4.001 ( -3.239 0.264 -6.538) 7.301 4.484 ( -11.556 -1.643 3.400) 12.158 4.601 ( -5.662 -0.576 10.604) 12.035 4.667 ( -5.950 -0.639 -4.981) 7.786 4.856 ( -3.066 -0.593 -3.101) 4.401 5.183 ( 5.420 2.553 9.163) 10.947 5.521 ( 1.835 4.548 -8.168) 9.527 ======================= Grid point 355 (104/196) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 8.866 3.132 4.525) 10.435 1.454 ( 1.027 1.761 -7.650) 7.917 1.919 ( 15.485 -0.172 -1.386) 15.547 1.936 ( 3.220 -0.496 -1.743) 3.695 2.176 ( -2.270 0.665 7.759) 8.112 2.468 ( 2.796 0.084 6.096) 6.707 2.523 ( 1.440 0.206 -10.117) 10.221 2.633 ( -2.786 0.699 4.202) 5.090 2.788 ( 4.051 0.406 -0.157) 4.075 2.823 ( -1.154 -0.389 -10.662) 10.732 3.281 ( 3.669 -0.281 4.939) 6.159 3.385 ( 3.489 -1.189 0.631) 3.740 3.551 ( -6.829 -0.101 -2.400) 7.239 3.627 ( -3.277 -1.258 -1.272) 3.734 3.786 ( 3.806 -0.654 2.245) 4.467 3.855 ( 2.044 -0.655 -1.756) 2.773 3.960 ( 0.664 -0.177 -0.655) 0.950 3.987 ( 1.026 0.037 -2.101) 2.338 4.310 ( -6.501 -0.970 7.061) 9.647 4.492 ( -6.026 -0.219 11.209) 12.728 4.597 ( -1.554 -0.423 -5.736) 5.958 4.785 ( -4.394 0.260 -3.435) 5.583 5.281 ( 5.897 1.734 5.409) 8.188 5.510 ( -0.744 3.035 -5.746) 6.541 ======================= Grid point 356 (105/196) ======================= q-point: ( 0.46 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 5.997 1.882 0.169) 6.288 1.432 ( -2.534 0.372 -4.390) 5.083 2.009 ( 3.919 -0.517 4.977) 6.356 2.108 ( -2.970 0.614 7.890) 8.453 2.209 ( 13.309 -0.128 -3.775) 13.835 2.437 ( -9.580 0.188 -5.670) 11.133 2.524 ( 3.093 -0.659 2.832) 4.245 2.585 ( -2.407 0.892 1.257) 2.859 2.815 ( 0.621 -0.379 -8.874) 8.904 2.843 ( 1.210 0.256 -7.232) 7.337 3.340 ( 2.848 0.044 3.672) 4.647 3.405 ( -3.492 -0.427 1.224) 3.725 3.496 ( 2.586 0.190 -1.734) 3.119 3.564 ( -3.824 -0.848 -3.077) 4.981 3.836 ( 0.855 -0.528 1.732) 2.003 3.878 ( 0.579 -0.284 0.515) 0.826 3.975 ( 0.469 -0.366 -0.961) 1.130 4.001 ( 0.191 0.302 -1.398) 1.443 4.281 ( 2.620 -0.661 10.882) 11.212 4.377 ( -5.877 0.416 11.524) 12.943 4.614 ( 2.737 -0.781 -5.373) 6.081 4.694 ( -4.662 0.810 -4.217) 6.338 5.379 ( 4.908 0.280 1.273) 5.078 5.459 ( -3.138 1.401 -2.562) 4.286 ======================= Grid point 364 (106/196) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 10.924 0.000 11.767) 16.055 1.048 ( 12.686 0.000 13.122) 18.251 1.203 ( 6.237 0.000 -13.679) 15.034 1.729 ( 7.384 0.000 -18.228) 19.667 1.764 ( 19.982 0.000 19.456) 27.889 2.281 ( 2.749 0.000 4.229) 5.044 2.388 ( -3.806 -0.000 1.655) 4.150 2.414 ( 6.677 0.000 -12.423) 14.103 2.712 ( -5.295 -0.000 7.942) 9.546 2.917 ( -0.156 -0.000 3.107) 3.111 3.063 ( 1.000 0.000 0.778) 1.267 3.318 ( -0.076 -0.000 -5.296) 5.297 3.387 ( 5.731 0.000 3.910) 6.938 3.518 ( 6.747 0.000 -3.226) 7.478 3.681 ( 0.858 0.000 7.250) 7.301 3.894 ( 0.218 0.000 -3.973) 3.979 3.976 ( -3.542 -0.000 -0.337) 3.558 4.195 ( -3.144 -0.000 -9.936) 10.421 4.709 ( 3.430 0.000 1.694) 3.826 4.735 ( 0.461 0.000 3.449) 3.480 4.932 ( -6.964 -0.000 -0.401) 6.976 4.996 ( -8.899 -0.000 -2.639) 9.282 5.164 ( -2.724 -0.000 9.213) 9.608 5.492 ( 2.862 0.000 -10.035) 10.435 ======================= Grid point 365 (107/196) ======================= q-point: ( 0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 11.723 0.268 9.895) 15.343 1.305 ( 11.800 -0.138 8.022) 14.270 1.333 ( 9.747 0.183 -12.317) 15.709 1.828 ( 3.375 -0.154 -15.078) 15.452 2.134 ( 17.652 0.178 13.215) 22.051 2.305 ( -4.304 0.208 2.316) 4.892 2.351 ( 4.571 0.064 -1.656) 4.862 2.564 ( 7.944 0.318 -6.947) 10.558 2.659 ( -0.423 -0.005 9.020) 9.030 2.890 ( -2.015 0.075 -4.121) 4.587 3.110 ( 3.454 -0.056 5.991) 6.915 3.302 ( -0.920 -0.307 -1.687) 1.946 3.511 ( 6.786 -0.392 4.459) 8.129 3.655 ( 7.053 -0.057 -3.784) 8.004 3.700 ( 1.005 -0.011 6.034) 6.117 3.833 ( -6.210 -0.094 -4.138) 7.462 3.949 ( 0.323 0.124 -1.383) 1.425 4.102 ( -5.960 0.082 -10.483) 12.059 4.673 ( -8.831 -0.370 1.791) 9.018 4.690 ( -4.316 -0.159 8.183) 9.252 4.790 ( -7.708 -0.380 -2.849) 8.226 4.884 ( -1.973 -0.451 -2.244) 3.022 5.145 ( 1.493 0.732 10.961) 11.087 5.543 ( 2.734 2.018 -10.600) 11.131 ======================= Grid point 366 (108/196) ======================= q-point: ( 0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 10.926 1.369 7.555) 13.354 1.427 ( 4.666 0.879 -8.837) 10.032 1.615 ( 15.988 -0.195 1.235) 16.036 1.879 ( 2.351 -0.240 -8.862) 9.172 2.227 ( -2.731 0.287 5.033) 5.734 2.391 ( 8.004 0.654 9.189) 12.204 2.447 ( 5.274 -0.033 -6.950) 8.724 2.662 ( 1.947 0.535 -0.250) 2.035 2.697 ( 4.435 -0.107 5.881) 7.367 2.853 ( -1.797 0.046 -8.638) 8.823 3.190 ( 4.754 -0.360 6.071) 7.719 3.309 ( 1.687 -0.861 0.476) 1.953 3.621 ( 3.164 -0.742 4.514) 5.562 3.692 ( -7.414 -0.073 -3.629) 8.255 3.718 ( 1.601 0.008 2.035) 2.590 3.778 ( 4.747 -0.390 -3.253) 5.768 3.954 ( 0.139 0.065 -1.403) 1.412 4.004 ( -3.343 0.155 -6.819) 7.596 4.469 ( -11.260 -0.877 3.706) 11.887 4.595 ( -5.618 -0.384 10.499) 11.914 4.662 ( -5.574 -0.266 -4.978) 7.478 4.851 ( -2.624 -0.340 -3.193) 4.147 5.207 ( 5.063 1.425 9.691) 11.026 5.564 ( 0.762 2.565 -8.657) 9.061 ======================= Grid point 367 (109/196) ======================= q-point: ( 0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 8.552 2.161 4.134) 9.741 1.472 ( 0.608 1.238 -7.374) 7.502 1.918 ( 15.588 -0.110 -1.363) 15.648 1.931 ( 3.201 -0.326 -1.629) 3.606 2.182 ( -2.221 0.450 7.646) 7.975 2.469 ( 2.144 0.043 6.051) 6.420 2.525 ( 1.523 0.117 -10.018) 10.134 2.641 ( -2.773 0.498 4.183) 5.043 2.792 ( 4.365 0.329 -0.184) 4.381 2.818 ( -1.565 -0.309 -10.705) 10.823 3.278 ( 3.911 -0.244 4.916) 6.287 3.373 ( 3.933 -0.841 0.787) 4.098 3.550 ( -6.731 -0.034 -2.351) 7.130 3.613 ( -3.135 -1.002 -0.708) 3.366 3.780 ( 3.590 -0.388 2.035) 4.145 3.848 ( 2.165 -0.439 -1.981) 2.967 3.958 ( 0.475 -0.132 -0.563) 0.748 3.988 ( 1.083 0.068 -2.383) 2.618 4.300 ( -6.073 -0.654 7.265) 9.491 4.490 ( -5.697 -0.231 10.805) 12.218 4.593 ( -1.649 -0.232 -5.382) 5.634 4.788 ( -4.022 0.122 -3.624) 5.415 5.299 ( 5.172 1.248 5.892) 7.939 5.541 ( -1.746 2.147 -5.980) 6.590 ======================= Grid point 368 (110/196) ======================= q-point: ( 0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 4.743 1.525 -0.289) 4.991 1.436 ( -3.782 0.200 -3.970) 5.487 2.004 ( 4.120 -0.313 4.991) 6.479 2.114 ( -3.178 0.393 7.932) 8.554 2.207 ( 13.178 -0.081 -3.806) 13.717 2.439 ( -9.575 0.188 -5.383) 10.985 2.516 ( 2.864 -0.611 2.722) 3.998 2.594 ( -2.475 0.737 1.118) 2.814 2.810 ( 0.737 -0.465 -9.650) 9.689 2.847 ( 1.229 0.419 -6.503) 6.632 3.340 ( 3.010 0.038 3.629) 4.715 3.400 ( -3.081 -0.359 1.233) 3.338 3.498 ( 2.803 0.193 -1.834) 3.355 3.554 ( -3.433 -0.802 -2.626) 4.396 3.832 ( 1.532 -0.187 1.654) 2.263 3.874 ( 0.721 -0.390 0.320) 0.880 3.972 ( 0.616 -0.253 -0.647) 0.929 4.005 ( 0.212 0.294 -1.529) 1.571 4.273 ( 2.653 -0.572 10.797) 11.133 4.381 ( -5.637 0.258 11.440) 12.756 4.606 ( 2.551 -0.637 -5.248) 5.870 4.702 ( -4.518 0.614 -4.358) 6.307 5.382 ( 3.968 0.262 1.639) 4.301 5.475 ( -4.122 1.174 -2.791) 5.115 ======================= Grid point 369 (111/196) ======================= q-point: (-0.54 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -7.411 -1.842 0.640) 7.663 1.427 ( 1.315 -0.453 -4.808) 5.005 2.016 ( -3.846 0.691 4.882) 6.253 2.100 ( 2.887 -0.781 7.921) 8.467 2.210 ( -13.438 0.153 -3.735) 13.948 2.434 ( 9.571 -0.160 -6.040) 11.318 2.531 ( -3.367 0.562 2.983) 4.533 2.574 ( 2.376 -0.842 1.453) 2.909 2.818 ( -0.543 0.017 -7.396) 7.416 2.842 ( -1.208 0.158 -8.688) 8.773 3.339 ( -2.729 -0.040 3.710) 4.606 3.409 ( 3.953 0.402 1.199) 4.151 3.494 ( -2.334 -0.160 -1.668) 2.873 3.573 ( 4.198 0.697 -3.506) 5.513 3.844 ( -0.225 0.842 1.756) 1.960 3.880 ( -0.298 0.052 0.757) 0.815 3.980 ( -0.085 0.357 -1.251) 1.303 3.998 ( -0.385 -0.187 -1.247) 1.319 4.288 ( -2.593 0.599 10.960) 11.279 4.372 ( 6.136 -0.500 11.585) 13.119 4.623 ( -2.882 0.743 -5.485) 6.240 4.684 ( 4.775 -0.835 -4.068) 6.329 5.376 ( -5.896 -0.228 0.885) 5.967 5.443 ( 2.077 -1.303 -2.313) 3.371 ======================= Grid point 370 (112/196) ======================= q-point: (-0.46 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -9.238 -3.441 5.038) 11.071 1.432 ( -1.514 -1.891 -7.994) 8.353 1.922 ( -15.395 0.205 -1.409) 15.461 1.942 ( -3.238 0.578 -1.897) 3.797 2.167 ( 2.347 -0.752 7.922) 8.296 2.467 ( -3.508 -0.117 6.158) 7.088 2.520 ( -1.383 -0.278 -10.233) 10.330 2.625 ( 2.772 -0.727 4.172) 5.062 2.783 ( -3.793 -0.384 -0.093) 3.814 2.827 ( 0.775 0.369 -10.623) 10.657 3.285 ( -3.405 0.237 4.980) 6.037 3.400 ( -2.981 1.255 0.396) 3.259 3.553 ( 6.953 0.149 -2.513) 7.394 3.641 ( 3.418 1.143 -1.938) 4.092 3.795 ( -4.133 0.834 2.548) 4.927 3.863 ( -1.812 0.756 -1.419) 2.422 3.962 ( -0.976 0.175 -0.759) 1.249 3.987 ( -0.965 0.042 -1.749) 1.998 4.323 ( 7.138 1.115 6.762) 9.895 4.494 ( 6.371 0.066 11.506) 13.153 4.603 ( 1.538 0.591 -5.982) 6.205 4.781 ( 4.829 -0.411 -3.161) 5.786 5.260 ( -6.783 -1.796 4.791) 8.496 5.472 ( -0.483 -3.236 -5.470) 6.374 ======================= Grid point 371 (113/196) ======================= q-point: (-0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -9.662 -2.957 8.246) 13.042 1.391 ( -4.075 -1.955 -9.386) 10.417 1.623 ( -15.672 0.432 1.594) 15.759 1.889 ( -2.248 0.577 -8.909) 9.207 2.216 ( 2.628 -0.629 5.341) 5.986 2.368 ( -8.451 -1.132 9.017) 12.410 2.446 ( -5.312 -0.144 -6.881) 8.695 2.640 ( -2.483 -1.176 -0.731) 2.843 2.700 ( -4.071 0.125 5.732) 7.032 2.852 ( 1.607 0.004 -8.062) 8.220 3.203 ( -4.727 0.593 6.106) 7.745 3.342 ( -1.704 1.754 -0.017) 2.446 3.650 ( -3.055 1.507 4.114) 5.341 3.695 ( 6.469 0.167 -3.292) 7.260 3.716 ( -1.847 -0.176 1.194) 2.207 3.795 ( -4.217 0.969 -2.711) 5.106 3.951 ( -0.589 -0.257 -1.160) 1.326 3.998 ( 3.066 -0.302 -6.125) 6.856 4.507 ( 11.925 2.165 2.968) 12.478 4.608 ( 5.746 0.453 10.199) 11.715 4.677 ( 6.568 1.130 -4.457) 8.018 4.864 ( 3.812 0.680 -2.887) 4.830 5.149 ( -5.995 -3.120 8.348) 10.741 5.461 ( -3.346 -5.531 -7.519) 9.916 ======================= Grid point 372 (114/196) ======================= q-point: (-0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -9.734 -0.829 10.039) 14.008 1.304 ( -6.202 -0.732 -5.109) 8.069 1.332 ( -14.217 0.508 1.068) 14.266 1.838 ( -3.268 0.678 -14.801) 15.173 2.123 ( -16.656 -0.750 12.780) 21.008 2.292 ( 3.956 -0.747 2.546) 4.763 2.347 ( -4.803 -0.245 -1.833) 5.146 2.544 ( -7.769 -1.264 -6.818) 10.414 2.659 ( 0.034 0.021 8.701) 8.701 2.886 ( 1.849 -0.202 -4.124) 4.524 3.113 ( -4.231 0.167 6.248) 7.548 3.320 ( 0.078 1.124 -2.016) 2.309 3.532 ( -6.743 1.145 4.187) 8.019 3.658 ( -6.593 0.203 -2.875) 7.195 3.700 ( -1.646 -0.045 5.254) 5.506 3.839 ( 5.807 0.363 -4.464) 7.334 3.942 ( -0.214 -0.455 -0.975) 1.098 4.096 ( 6.094 -0.318 -10.109) 11.808 4.692 ( 6.930 0.786 4.814) 8.474 4.702 ( 3.935 0.950 4.696) 6.200 4.817 ( 8.430 1.840 -1.796) 8.813 4.915 ( 3.229 2.190 -2.408) 4.585 5.099 ( -0.500 -2.930 9.245) 9.711 5.420 ( -4.553 -7.594 -8.235) 12.092 ======================= Grid point 373 (115/196) ======================= q-point: (-0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -9.372 1.504 11.100) 14.605 1.064 ( -12.346 1.282 12.430) 17.566 1.199 ( -5.927 -0.335 -12.648) 13.972 1.730 ( -9.392 0.306 -11.350) 14.735 1.776 ( -17.288 0.721 12.327) 21.246 2.276 ( -2.707 -0.383 4.113) 4.939 2.376 ( 3.601 -0.971 1.687) 4.093 2.405 ( -6.331 -0.759 -12.027) 13.613 2.704 ( 4.684 -0.520 7.619) 8.959 2.914 ( 0.342 -0.227 2.542) 2.575 3.052 ( -1.832 -0.842 1.267) 2.381 3.316 ( -0.830 -0.019 -4.897) 4.967 3.405 ( -5.743 1.008 3.086) 6.597 3.521 ( -6.839 0.257 -2.946) 7.451 3.676 ( -1.111 -0.441 7.189) 7.288 3.888 ( -0.446 -0.494 -3.788) 3.846 3.981 ( 3.952 0.426 -0.484) 4.004 4.194 ( 3.307 -0.070 -9.617) 10.170 4.692 ( -3.917 -1.090 2.076) 4.565 4.746 ( -1.139 0.546 2.362) 2.678 4.956 ( 7.103 1.731 0.251) 7.315 4.996 ( 5.007 -0.437 -0.785) 5.087 5.150 ( 3.691 -0.951 7.799) 8.681 5.408 ( -0.159 -5.462 -7.450) 9.239 ======================= Grid point 374 (116/196) ======================= q-point: (-0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( -6.833 2.841 12.736) 14.730 0.860 ( -7.935 1.514 17.356) 19.144 1.091 ( -5.364 -0.128 -14.912) 15.848 1.447 ( -12.372 0.878 26.094) 28.892 1.573 ( -8.395 0.699 -17.646) 19.554 2.248 ( -0.581 -0.095 5.835) 5.864 2.328 ( -2.215 -0.332 -14.492) 14.664 2.432 ( 1.679 -0.849 3.877) 4.309 2.836 ( 7.840 -1.549 3.111) 8.575 2.887 ( -2.402 -0.002 10.028) 10.312 3.067 ( 1.811 -1.450 -5.616) 6.076 3.270 ( -3.913 -0.335 -7.473) 8.442 3.305 ( -4.139 0.183 2.523) 4.851 3.430 ( -2.657 -0.260 -2.534) 3.681 3.667 ( -0.177 -0.608 6.994) 7.022 3.873 ( -0.813 -0.262 -2.670) 2.803 4.040 ( 2.183 0.457 1.194) 2.530 4.209 ( -1.334 0.159 -5.201) 5.372 4.631 ( -4.077 -1.262 -1.996) 4.712 4.637 ( -7.552 -1.347 -1.925) 7.909 5.056 ( 4.114 1.473 1.615) 4.659 5.090 ( 3.031 -5.147 2.254) 6.385 5.221 ( 2.990 0.036 7.801) 8.355 5.461 ( 3.008 0.497 -6.992) 7.628 ======================= Grid point 375 (117/196) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( -0.000 2.519 14.749) 14.962 0.770 ( -0.000 1.291 20.141) 20.182 1.030 ( 0.000 -0.162 -14.491) 14.492 1.324 ( -0.000 0.920 28.551) 28.566 1.479 ( -0.000 0.457 -17.713) 17.718 2.245 ( -0.000 0.123 5.453) 5.455 2.311 ( 0.000 -0.099 -14.570) 14.570 2.452 ( 0.000 -0.594 4.874) 4.910 2.859 ( 0.000 -0.001 10.869) 10.869 2.949 ( 0.000 -2.039 -1.444) 2.498 3.098 ( 0.000 -1.169 -5.976) 6.090 3.217 ( -0.000 0.002 -8.086) 8.086 3.267 ( 0.000 -0.495 3.535) 3.570 3.406 ( 0.000 -0.525 -3.239) 3.281 3.671 ( 0.000 -0.494 6.339) 6.359 3.867 ( 0.000 -0.016 -2.424) 2.424 4.057 ( -0.000 0.209 3.945) 3.950 4.184 ( -0.000 0.248 -2.552) 2.564 4.524 ( 0.000 -1.677 0.150) 1.684 4.620 ( 0.000 -0.731 -5.183) 5.235 5.087 ( -0.000 1.395 1.712) 2.208 5.157 ( 0.000 -6.238 0.907) 6.304 5.250 ( -0.000 0.105 8.078) 8.078 5.481 ( -0.000 2.728 -5.836) 6.442 ======================= Grid point 378 (118/196) ======================= q-point: ( 0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 11.094 0.000 7.455) 13.366 1.432 ( 4.767 0.000 -8.735) 9.951 1.614 ( 16.031 0.000 1.166) 16.073 1.877 ( 2.365 0.000 -8.858) 9.168 2.229 ( -2.753 -0.000 4.990) 5.698 2.395 ( 7.942 0.000 9.308) 12.235 2.447 ( 5.254 0.000 -7.049) 8.792 2.665 ( 1.863 0.000 -0.177) 1.871 2.696 ( 4.498 0.000 5.904) 7.422 2.853 ( -1.834 -0.000 -8.735) 8.925 3.188 ( 4.758 0.000 6.063) 7.707 3.304 ( 1.690 0.000 0.542) 1.775 3.617 ( 3.170 0.000 4.552) 5.547 3.692 ( -7.543 -0.000 -3.657) 8.383 3.718 ( 1.580 0.000 2.186) 2.697 3.776 ( 4.837 0.000 -3.344) 5.880 3.955 ( 0.067 0.000 -1.436) 1.437 4.004 ( -3.376 -0.000 -6.916) 7.696 4.464 ( -11.148 -0.000 3.816) 11.783 4.593 ( -5.600 -0.000 10.397) 11.810 4.660 ( -5.453 -0.000 -4.916) 7.342 4.849 ( -2.479 -0.000 -3.218) 4.062 5.216 ( 4.943 0.000 9.875) 11.043 5.579 ( 0.372 0.000 -8.840) 8.848 ======================= Grid point 379 (119/196) ======================= q-point: ( 0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 8.371 0.768 3.927) 9.278 1.482 ( 0.364 0.445 -7.221) 7.244 1.917 ( 15.663 -0.037 -1.349) 15.721 1.928 ( 3.182 -0.113 -1.569) 3.550 2.186 ( -2.198 0.158 7.589) 7.902 2.469 ( 1.748 0.011 6.027) 6.275 2.526 ( 1.588 0.037 -9.963) 10.089 2.645 ( -2.755 0.179 4.155) 4.989 2.795 ( 4.660 0.133 -0.121) 4.663 2.816 ( -1.916 -0.123 -10.798) 10.967 3.276 ( 4.057 -0.099 4.908) 6.368 3.366 ( 4.196 -0.302 0.858) 4.293 3.550 ( -6.687 0.000 -2.361) 7.091 3.605 ( -3.041 -0.386 -0.368) 3.087 3.777 ( 3.496 -0.125 1.935) 3.998 3.845 ( 2.206 -0.155 -2.089) 3.042 3.957 ( 0.399 -0.048 -0.511) 0.650 3.988 ( 1.110 0.032 -2.536) 2.769 4.295 ( -5.866 -0.230 7.365) 9.419 4.488 ( -5.507 -0.097 10.526) 11.880 4.592 ( -1.724 -0.071 -5.134) 5.416 4.788 ( -3.811 0.033 -3.718) 5.324 5.309 ( 4.768 0.453 6.155) 7.799 5.558 ( -2.308 0.774 -6.115) 6.582 ======================= Grid point 380 (120/196) ======================= q-point: ( 0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 3.974 0.865 -0.635) 4.117 1.437 ( -4.802 0.052 -3.643) 6.027 2.001 ( 4.313 -0.139 4.973) 6.584 2.117 ( -3.373 0.184 7.984) 8.669 2.207 ( 13.078 -0.036 -3.826) 13.626 2.441 ( -9.587 0.130 -5.227) 10.920 2.510 ( 2.744 -0.380 2.679) 3.853 2.601 ( -2.544 0.415 1.047) 2.782 2.805 ( 0.835 -0.288 -9.907) 9.946 2.852 ( 1.260 0.287 -6.298) 6.429 3.341 ( 3.164 0.021 3.597) 4.790 3.396 ( -2.811 -0.206 1.236) 3.078 3.500 ( 2.968 0.140 -1.954) 3.556 3.546 ( -3.161 -0.507 -2.257) 3.917 3.831 ( 2.113 0.007 1.580) 2.638 3.870 ( 0.699 -0.298 0.195) 0.785 3.970 ( 0.666 -0.118 -0.411) 0.792 4.008 ( 0.281 0.179 -1.610) 1.644 4.268 ( 2.674 -0.334 10.730) 11.063 4.384 ( -5.463 0.111 11.357) 12.603 4.600 ( 2.389 -0.354 -5.143) 5.681 4.708 ( -4.397 0.324 -4.458) 6.270 5.384 ( 3.297 0.159 1.898) 3.808 5.486 ( -4.813 0.668 -2.950) 5.684 ======================= Grid point 381 (121/196) ======================= q-point: (-0.62 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -8.615 -1.354 1.028) 8.782 1.422 ( 0.351 -0.375 -5.141) 5.167 2.024 ( -4.053 0.706 4.647) 6.206 2.090 ( 3.081 -0.769 8.102) 8.702 2.212 ( -13.540 0.129 -3.695) 14.036 2.433 ( 9.537 -0.113 -6.394) 11.483 2.536 ( -3.603 0.370 3.137) 4.791 2.566 ( 2.383 -0.598 1.644) 2.956 2.817 ( -0.519 -0.147 -6.381) 6.403 2.846 ( -1.216 0.304 -9.702) 9.782 3.339 ( -2.660 -0.027 3.736) 4.586 3.414 ( 4.346 0.288 1.160) 4.508 3.492 ( -2.102 -0.108 -1.630) 2.662 3.580 ( 4.466 0.438 -3.827) 5.898 3.855 ( 0.226 0.969 1.684) 1.956 3.879 ( 0.040 -0.251 1.013) 1.045 3.983 ( 0.596 0.182 -1.400) 1.533 3.997 ( -0.894 0.002 -1.161) 1.465 4.294 ( -2.599 0.415 11.015) 11.325 4.366 ( 6.377 -0.425 11.621) 13.262 4.631 ( -2.966 0.528 -5.567) 6.330 4.675 ( 4.835 -0.636 -3.949) 6.275 5.373 ( -6.706 -0.140 0.565) 6.732 5.430 ( 1.187 -0.914 -2.101) 2.580 ======================= Grid point 382 (122/196) ======================= q-point: (-0.54 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -9.584 -2.951 5.567) 11.470 1.412 ( -1.955 -1.587 -8.328) 8.700 1.924 ( -15.337 0.187 -1.424) 15.404 1.949 ( -3.265 0.528 -2.071) 3.902 2.159 ( 2.444 -0.667 8.114) 8.500 2.465 ( -4.114 -0.116 6.232) 7.468 2.517 ( -1.360 -0.281 -10.328) 10.421 2.617 ( 2.729 -0.584 4.086) 4.949 2.779 ( -3.606 -0.292 -0.045) 3.618 2.831 ( 0.469 0.276 -10.562) 10.576 3.287 ( -3.185 0.158 5.026) 5.952 3.414 ( -2.520 1.028 0.133) 2.725 3.555 ( 7.064 0.149 -2.647) 7.545 3.653 ( 3.506 0.794 -2.564) 4.416 3.805 ( -4.484 0.792 2.867) 5.381 3.872 ( -1.506 0.684 -1.026) 1.946 3.964 ( -1.320 0.149 -0.844) 1.574 3.988 ( -0.971 0.092 -1.414) 1.718 4.335 ( 7.893 1.019 6.408) 10.218 4.494 ( 6.597 -0.102 11.596) 13.342 4.610 ( 1.666 0.617 -6.023) 6.279 4.776 ( 5.199 -0.474 -2.852) 5.948 5.241 ( -7.614 -1.442 4.169) 8.799 5.437 ( -1.667 -2.699 -5.214) 6.103 ======================= Grid point 383 (123/196) ======================= q-point: (-0.46 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -8.726 -2.801 8.693) 12.632 1.368 ( -3.764 -1.886 -9.641) 10.520 1.628 ( -15.467 0.414 1.757) 15.572 1.896 ( -2.180 0.584 -8.956) 9.236 2.208 ( 2.600 -0.604 5.548) 6.157 2.355 ( -8.730 -0.991 9.049) 12.612 2.444 ( -5.295 -0.207 -6.953) 8.742 2.627 ( -2.811 -1.118 -1.019) 3.192 2.701 ( -3.877 0.063 5.641) 6.845 2.852 ( 1.531 0.044 -7.758) 7.907 3.209 ( -4.706 0.479 6.113) 7.730 3.363 ( -1.722 1.634 -0.386) 2.405 3.668 ( -2.729 1.386 3.486) 4.639 3.697 ( 5.576 0.176 -2.749) 6.219 3.714 ( -2.030 -0.285 0.872) 2.227 3.807 ( -4.004 0.984 -2.435) 4.788 3.947 ( -0.844 -0.314 -0.964) 1.320 3.994 ( 2.858 -0.276 -5.688) 6.372 4.533 ( 12.226 2.309 2.519) 12.694 4.611 ( 5.945 0.106 9.178) 10.935 4.693 ( 7.323 1.501 -3.349) 8.191 4.871 ( 4.794 0.538 -2.465) 5.417 5.113 ( -6.717 -2.937 7.309) 10.352 5.396 ( -5.014 -5.321 -6.880) 10.040 ======================= Grid point 384 (124/196) ======================= q-point: (-0.38 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -8.030 -0.649 9.988) 12.832 1.292 ( -5.079 -1.153 -9.611) 10.931 1.340 ( -14.426 0.866 5.830) 15.583 1.847 ( -3.149 0.785 -14.640) 14.995 2.113 ( -16.052 -0.871 12.510) 20.370 2.283 ( 3.743 -0.741 2.736) 4.695 2.344 ( -4.934 -0.261 -1.937) 5.306 2.528 ( -7.654 -1.365 -6.754) 10.299 2.659 ( -0.206 0.010 8.492) 8.495 2.883 ( 1.694 -0.151 -4.101) 4.439 3.115 ( -4.730 0.153 6.346) 7.916 3.334 ( -0.524 1.186 -2.330) 2.667 3.544 ( -6.965 0.834 4.030) 8.090 3.661 ( -6.213 0.303 -2.199) 6.598 3.699 ( -2.160 -0.187 4.736) 5.209 3.843 ( 5.360 0.378 -4.651) 7.106 3.936 ( 0.012 -0.455 -0.683) 0.821 4.093 ( 6.209 -0.333 -9.832) 11.633 4.699 ( 5.697 0.452 6.864) 8.932 4.715 ( 3.180 1.126 2.362) 4.118 4.841 ( 8.848 2.370 -0.875) 9.202 4.945 ( 4.111 2.924 -2.575) 5.664 5.062 ( 0.508 -3.310 7.834) 8.519 5.326 ( -5.376 -8.105 -6.680) 11.799 ======================= Grid point 385 (125/196) ======================= q-point: (-0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -7.677 2.204 10.231) 12.980 1.081 ( -12.001 1.485 11.358) 16.590 1.195 ( -5.520 -0.276 -11.170) 12.463 1.736 ( -10.209 0.649 -8.116) 13.058 1.784 ( -15.832 0.455 8.880) 18.159 2.271 ( -2.691 -0.411 3.989) 4.829 2.363 ( 3.403 -1.126 1.812) 4.017 2.395 ( -6.041 -0.985 -11.710) 13.213 2.698 ( 4.218 -0.492 7.273) 8.422 2.911 ( 0.480 -0.304 1.965) 2.046 3.042 ( -2.608 -0.871 1.778) 3.274 3.317 ( -1.409 0.129 -4.941) 5.139 3.414 ( -6.190 0.478 2.784) 6.804 3.525 ( -6.970 0.313 -2.797) 7.517 3.670 ( -1.325 -0.592 7.241) 7.385 3.881 ( -0.612 -0.602 -3.578) 3.680 3.987 ( 4.273 0.530 -0.638) 4.353 4.193 ( 3.487 -0.058 -9.325) 9.956 4.678 ( -4.551 -1.161 2.107) 5.148 4.751 ( -1.895 0.307 1.519) 2.448 4.965 ( 2.161 -1.288 1.867) 3.133 4.994 ( 4.852 1.089 0.721) 5.025 5.139 ( 4.903 -0.840 6.495) 8.181 5.352 ( 4.653 -3.613 -6.233) 8.576 ======================= Grid point 386 (126/196) ======================= q-point: (-0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -5.718 4.376 10.876) 13.043 0.881 ( -7.562 2.080 16.548) 18.312 1.091 ( -5.352 0.034 -13.896) 14.891 1.459 ( -11.885 1.069 25.143) 27.831 1.583 ( -8.454 0.935 -17.143) 19.137 2.247 ( -0.381 -0.209 5.659) 5.676 2.323 ( -2.051 -0.562 -14.040) 14.200 2.419 ( 1.646 -1.226 4.033) 4.525 2.817 ( 6.902 -1.653 3.135) 7.759 2.887 ( -2.360 -0.038 10.042) 10.315 3.046 ( 1.484 -1.922 -5.930) 6.408 3.267 ( -3.676 -0.258 -7.144) 8.038 3.305 ( -4.980 -0.290 2.077) 5.403 3.426 ( -3.271 -0.445 -2.512) 4.148 3.658 ( -0.310 -0.811 7.337) 7.388 3.869 ( -0.654 -0.472 -2.635) 2.756 4.047 ( 2.097 0.621 1.189) 2.489 4.211 ( -1.143 0.245 -5.021) 5.155 4.610 ( -9.866 -2.514 -1.351) 10.270 4.619 ( -3.173 -1.547 -2.768) 4.486 5.018 ( 1.840 -5.539 8.218) 10.080 5.082 ( 3.931 1.836 1.490) 4.588 5.225 ( 3.554 0.719 7.031) 7.910 5.474 ( 5.844 1.649 -8.067) 10.096 ======================= Grid point 387 (127/196) ======================= q-point: (-0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( -0.000 4.701 12.477) 13.333 0.791 ( -0.000 2.243 19.463) 19.591 1.028 ( 0.000 -0.112 -13.976) 13.977 1.338 ( -0.000 1.442 27.934) 27.971 1.487 ( -0.000 0.811 -17.518) 17.536 2.246 ( -0.000 0.051 4.773) 4.774 2.309 ( 0.000 -0.278 -13.645) 13.648 2.442 ( 0.000 -1.095 5.088) 5.204 2.859 ( 0.000 -0.004 10.875) 10.875 2.919 ( 0.000 -2.879 -0.495) 2.921 3.079 ( 0.000 -2.006 -6.384) 6.691 3.217 ( -0.000 0.002 -8.065) 8.065 3.259 ( 0.000 -0.875 3.503) 3.611 3.397 ( 0.000 -0.925 -3.233) 3.362 3.663 ( 0.000 -0.844 6.798) 6.850 3.865 ( 0.000 -0.221 -2.434) 2.444 4.061 ( -0.000 0.365 3.964) 3.981 4.188 ( -0.000 0.431 -2.564) 2.600 4.497 ( 0.000 -2.850 0.872) 2.981 4.608 ( 0.000 -1.157 -5.434) 5.556 5.075 ( 0.000 -6.465 7.770) 10.108 5.110 ( -0.000 1.712 1.755) 2.452 5.254 ( -0.000 0.760 7.532) 7.570 5.517 ( -0.000 3.231 -8.701) 9.282 ======================= Grid point 392 (128/196) ======================= q-point: ( 0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 3.753 0.000 -0.768) 3.831 1.437 ( -5.229 -0.000 -3.515) 6.300 2.000 ( 4.391 0.000 4.963) 6.626 2.118 ( -3.452 -0.000 8.006) 8.718 2.207 ( 13.040 0.000 -3.832) 13.591 2.442 ( -9.603 -0.000 -5.186) 10.914 2.508 ( 2.717 0.000 2.675) 3.813 2.604 ( -2.574 -0.000 1.027) 2.771 2.804 ( 0.874 0.000 -9.967) 10.005 2.854 ( 1.274 0.000 -6.261) 6.389 3.341 ( 3.231 0.000 3.585) 4.825 3.395 ( -2.720 -0.000 1.236) 2.988 3.501 ( 3.042 0.000 -2.018) 3.650 3.543 ( -3.077 -0.000 -2.105) 3.729 3.831 ( 2.364 0.000 1.552) 2.828 3.868 ( 0.645 0.000 0.152) 0.663 3.969 ( 0.678 0.000 -0.324) 0.752 4.009 ( 0.314 0.000 -1.637) 1.667 4.266 ( 2.680 0.000 10.705) 11.035 4.384 ( -5.399 -0.000 11.322) 12.543 4.598 ( 2.323 0.000 -5.100) 5.605 4.710 ( -4.350 -0.000 -4.494) 6.254 5.385 ( 3.055 0.000 1.991) 3.646 5.490 ( -5.061 -0.000 -3.006) 5.886 ======================= Grid point 393 (129/196) ======================= q-point: ( 0.31 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -9.304 -0.499 1.248) 9.401 1.419 ( -0.179 -0.146 -5.326) 5.331 2.031 ( -4.518 0.344 4.311) 6.254 2.083 ( 3.536 -0.367 8.406) 9.127 2.213 ( -13.597 0.051 -3.670) 14.084 2.432 ( 9.506 -0.041 -6.614) 11.580 2.539 ( -3.739 0.129 3.248) 4.955 2.561 ( 2.405 -0.216 1.750) 2.982 2.815 ( -0.507 -0.070 -6.049) 6.070 2.848 ( -1.239 0.132 -10.038) 10.115 3.339 ( -2.629 -0.009 3.748) 4.578 3.416 ( 4.569 0.105 1.130) 4.708 3.491 ( -1.961 -0.038 -1.612) 2.539 3.584 ( 4.601 0.147 -3.993) 6.094 3.866 ( 0.392 0.858 1.522) 1.791 3.874 ( 0.334 -0.581 1.262) 1.429 3.984 ( 1.080 0.034 -1.394) 1.764 3.998 ( -1.272 0.046 -1.182) 1.737 4.298 ( -2.631 0.149 11.041) 11.351 4.363 ( 6.540 -0.169 11.638) 13.351 4.635 ( -3.002 0.190 -5.610) 6.366 4.670 ( 4.856 -0.239 -3.884) 6.223 5.372 ( -7.159 -0.046 0.385) 7.170 5.422 ( 0.679 -0.328 -1.979) 2.117 ======================= Grid point 394 (130/196) ======================= q-point: (-0.62 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -9.830 -1.709 5.972) 11.628 1.397 ( -2.258 -0.904 -8.571) 8.910 1.926 ( -15.309 0.113 -1.432) 15.376 1.954 ( -3.297 0.321 -2.222) 3.989 2.152 ( 2.534 -0.397 8.282) 8.670 2.464 ( -4.512 -0.073 6.296) 7.746 2.514 ( -1.354 -0.181 -10.381) 10.471 2.612 ( 2.681 -0.320 3.985) 4.814 2.777 ( -3.497 -0.156 -0.022) 3.501 2.833 ( 0.271 0.144 -10.504) 10.509 3.288 ( -3.045 0.077 5.061) 5.907 3.423 ( -2.196 0.574 -0.079) 2.272 3.556 ( 7.137 0.094 -2.751) 7.649 3.660 ( 3.532 0.388 -3.003) 4.652 3.813 ( -4.738 0.482 3.103) 5.684 3.879 ( -1.241 0.411 -0.696) 1.481 3.966 ( -1.566 0.098 -0.900) 1.809 3.989 ( -1.053 0.068 -1.174) 1.578 4.345 ( 8.551 0.628 6.097) 10.521 4.492 ( 6.667 -0.133 11.575) 13.359 4.617 ( 1.863 0.407 -5.957) 6.255 4.771 ( 5.417 -0.334 -2.596) 6.016 5.227 ( -8.191 -0.791 3.701) 9.023 5.411 ( -2.531 -1.533 -5.033) 5.839 ======================= Grid point 395 (131/196) ======================= q-point: (-0.54 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -7.845 -1.995 9.067) 12.154 1.348 ( -3.534 -1.364 -9.817) 10.522 1.633 ( -15.296 0.298 1.873) 15.413 1.902 ( -2.122 0.440 -9.006) 9.263 2.202 ( 2.599 -0.435 5.732) 6.308 2.345 ( -8.964 -0.675 9.085) 12.780 2.442 ( -5.266 -0.183 -7.003) 8.764 2.615 ( -3.087 -0.796 -1.257) 3.426 2.702 ( -3.733 0.015 5.566) 6.702 2.853 ( 1.488 0.050 -7.531) 7.677 3.214 ( -4.684 0.300 6.110) 7.704 3.379 ( -1.718 1.162 -0.742) 2.203 3.682 ( -1.773 1.033 2.172) 2.988 3.699 ( 3.858 0.061 -1.635) 4.191 3.710 ( -1.933 -0.269 0.828) 2.120 3.817 ( -3.917 0.739 -2.230) 4.567 3.944 ( -1.052 -0.265 -0.758) 1.324 3.991 ( 2.683 -0.199 -5.346) 5.985 4.559 ( 12.447 1.991 2.069) 12.774 4.610 ( 6.175 -0.283 8.248) 10.307 4.711 ( 8.089 1.390 -2.305) 8.525 4.876 ( 5.713 0.210 -1.802) 5.994 5.084 ( -7.342 -2.002 6.161) 9.791 5.341 ( -6.552 -3.906 -6.383) 9.947 ======================= Grid point 396 (132/196) ======================= q-point: (-0.46 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -6.269 -0.323 9.772) 11.614 1.279 ( -4.576 -1.057 -10.683) 11.669 1.350 ( -14.036 0.776 7.206) 15.797 1.855 ( -3.002 0.707 -14.534) 14.858 2.103 ( -15.628 -0.803 12.326) 19.920 2.276 ( 3.583 -0.574 2.924) 4.660 2.342 ( -5.019 -0.221 -2.005) 5.409 2.513 ( -7.564 -1.152 -6.720) 10.183 2.659 ( -0.394 -0.008 8.316) 8.326 2.882 ( 1.539 -0.080 -4.062) 4.345 3.117 ( -5.134 0.117 6.368) 8.181 3.347 ( -1.058 1.019 -2.711) 3.084 3.551 ( -7.358 0.333 3.953) 8.359 3.666 ( -5.921 0.462 -1.699) 6.177 3.696 ( -2.586 -0.374 4.441) 5.153 3.847 ( 4.819 0.305 -4.761) 6.781 3.932 ( 0.352 -0.349 -0.442) 0.664 4.089 ( 6.327 -0.273 -9.582) 11.486 4.703 ( 5.327 0.285 7.187) 8.950 4.727 ( 1.558 0.823 1.890) 2.584 4.871 ( 9.181 2.636 0.140) 9.553 4.983 ( 4.919 3.472 -2.797) 6.639 5.023 ( 1.504 -3.214 6.308) 7.238 5.235 ( -5.730 -7.391 -5.364) 10.781 ======================= Grid point 397 (133/196) ======================= q-point: (-0.38 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -5.806 2.502 9.085) 11.068 1.097 ( -11.611 1.280 9.544) 15.085 1.193 ( -5.023 -0.080 -8.853) 10.179 1.745 ( -10.921 0.865 -5.200) 12.127 1.786 ( -14.530 0.001 5.812) 15.650 2.267 ( -2.694 -0.335 3.848) 4.709 2.350 ( 3.203 -1.016 2.035) 3.928 2.383 ( -5.797 -1.001 -11.465) 12.886 2.693 ( 3.865 -0.368 6.904) 7.920 2.907 ( 0.552 -0.308 1.384) 1.521 3.032 ( -3.339 -0.694 2.284) 4.104 3.319 ( -1.914 0.235 -5.201) 5.547 3.415 ( -6.779 -0.196 2.811) 7.342 3.528 ( -7.198 0.295 -2.812) 7.734 3.663 ( -1.476 -0.607 7.415) 7.585 3.874 ( -0.761 -0.566 -3.349) 3.481 3.993 ( 4.540 0.500 -0.792) 4.635 4.193 ( 3.690 -0.032 -9.054) 9.777 4.665 ( -5.126 -1.065 2.082) 5.634 4.753 ( -3.279 -0.015 0.446) 3.309 4.934 ( -3.711 -3.242 5.014) 7.030 5.014 ( 5.998 1.647 1.123) 6.321 5.131 ( 6.694 -0.421 5.302) 8.550 5.326 ( 9.724 -0.954 -5.814) 11.369 ======================= Grid point 398 (134/196) ======================= q-point: (-0.31 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -4.398 5.109 8.729) 11.029 0.907 ( -7.117 2.122 15.458) 17.150 1.093 ( -5.295 0.308 -12.458) 13.540 1.470 ( -11.458 0.872 24.350) 26.926 1.594 ( -8.444 0.933 -16.757) 18.787 2.244 ( -0.247 -0.279 5.492) 5.505 2.316 ( -1.900 -0.711 -13.587) 13.737 2.404 ( 1.565 -1.349 4.214) 4.693 2.799 ( 6.109 -1.253 2.915) 6.884 2.886 ( -2.303 -0.076 10.052) 10.313 3.023 ( 1.047 -1.909 -6.168) 6.541 3.264 ( -3.576 -0.176 -7.035) 7.894 3.299 ( -5.541 -0.726 1.996) 5.934 3.420 ( -3.971 -0.560 -2.560) 4.758 3.648 ( -0.438 -0.814 7.695) 7.750 3.863 ( -0.583 -0.619 -2.589) 2.725 4.054 ( 1.989 0.628 1.205) 2.409 4.214 ( -0.932 0.283 -4.843) 4.940 4.575 ( -11.806 -3.158 -0.445) 12.229 4.602 ( -2.079 -1.344 -3.065) 3.940 4.963 ( 1.992 -3.746 10.848) 11.648 5.100 ( 3.603 1.075 1.653) 4.108 5.239 ( 4.486 1.753 6.258) 7.897 5.497 ( 7.428 2.158 -8.266) 11.321 ======================= Grid point 399 (135/196) ======================= q-point: (-0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -0.000 6.048 9.722) 11.450 0.820 ( -0.000 2.641 18.578) 18.765 1.028 ( -0.000 0.123 -13.115) 13.115 1.356 ( -0.000 1.397 27.127) 27.163 1.498 ( -0.000 0.982 -17.244) 17.272 2.245 ( 0.000 -0.136 4.192) 4.194 2.304 ( 0.000 -0.514 -12.689) 12.700 2.427 ( 0.000 -1.397 5.314) 5.494 2.859 ( 0.000 -0.006 10.882) 10.882 2.887 ( 0.000 -2.503 0.128) 2.506 3.053 ( 0.000 -2.328 -6.788) 7.176 3.217 ( 0.000 -0.001 -8.019) 8.019 3.248 ( 0.000 -1.053 3.444) 3.601 3.385 ( 0.000 -1.107 -3.226) 3.410 3.652 ( 0.000 -0.982 7.363) 7.429 3.861 ( 0.000 -0.514 -2.434) 2.488 4.065 ( -0.000 0.433 3.990) 4.014 4.194 ( -0.000 0.506 -2.580) 2.629 4.462 ( 0.000 -2.988 1.837) 3.507 4.594 ( 0.000 -1.233 -5.705) 5.837 5.009 ( 0.000 -4.545 10.806) 11.723 5.129 ( -0.000 1.246 1.849) 2.229 5.271 ( -0.000 2.020 6.889) 7.178 5.555 ( -0.000 3.073 -9.521) 10.005 ======================= Grid point 406 (136/196) ======================= q-point: (-0.69 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -9.919 -0.000 6.125) 11.658 1.391 ( -2.366 -0.000 -8.661) 8.978 1.926 ( -15.301 -0.000 -1.434) 15.368 1.956 ( -3.313 -0.000 -2.284) 4.024 2.150 ( 2.572 0.000 8.351) 8.738 2.464 ( -4.649 -0.000 6.322) 7.847 2.513 ( -1.353 -0.000 -10.397) 10.485 2.610 ( 2.660 0.000 3.939) 4.753 2.776 ( -3.462 -0.000 -0.015) 3.462 2.834 ( 0.203 0.000 -10.481) 10.483 3.289 ( -2.998 -0.000 5.075) 5.894 3.427 ( -2.080 -0.000 -0.160) 2.086 3.557 ( 7.162 0.000 -2.791) 7.686 3.662 ( 3.533 0.000 -3.159) 4.739 3.815 ( -4.827 -0.000 3.188) 5.785 3.881 ( -1.137 -0.000 -0.566) 1.270 3.966 ( -1.651 -0.000 -0.922) 1.891 3.989 ( -1.105 -0.000 -1.084) 1.548 4.349 ( 8.821 0.000 5.968) 10.651 4.491 ( 6.667 0.000 11.558) 13.343 4.619 ( 1.960 0.000 -5.919) 6.235 4.769 ( 5.482 0.000 -2.494) 6.022 5.223 ( -8.394 -0.000 3.527) 9.105 5.402 ( -2.849 -0.000 -4.968) 5.727 ======================= Grid point 408 (137/196) ======================= q-point: (-0.62 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -7.298 -0.722 9.279) 11.827 1.337 ( -3.415 -0.498 -9.904) 10.488 1.635 ( -15.200 0.108 1.934) 15.323 1.906 ( -2.088 0.164 -9.040) 9.280 2.198 ( 2.608 -0.159 5.841) 6.399 2.340 ( -9.100 -0.240 9.105) 12.875 2.440 ( -5.244 -0.073 -7.023) 8.765 2.609 ( -3.245 -0.288 -1.393) 3.543 2.702 ( -3.657 -0.000 5.526) 6.626 2.853 ( 1.472 0.021 -7.412) 7.557 3.216 ( -4.668 0.101 6.105) 7.685 3.389 ( -1.703 0.422 -0.970) 2.005 3.692 ( 0.614 0.645 -0.183) 0.909 3.698 ( 0.083 -0.304 0.474) 0.569 3.708 ( -0.941 -0.060 0.977) 1.357 3.823 ( -3.907 0.275 -2.120) 4.453 3.941 ( -1.171 -0.104 -0.621) 1.329 3.990 ( 2.590 -0.074 -5.169) 5.782 4.577 ( 13.088 1.016 1.194) 13.181 4.605 ( 5.803 -0.396 8.363) 10.187 4.723 ( 8.655 0.592 -1.765) 8.853 4.877 ( 6.160 -0.000 -1.186) 6.273 5.068 ( -7.594 -0.676 5.297) 9.284 5.309 ( -7.557 -1.454 -6.113) 9.828 ======================= Grid point 409 (138/196) ======================= q-point: (-0.54 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -4.922 -0.084 9.500) 10.700 1.269 ( -4.236 -0.625 -10.911) 11.721 1.357 ( -13.727 0.447 7.692) 15.742 1.862 ( -2.868 0.426 -14.495) 14.783 2.095 ( -15.427 -0.495 12.251) 19.706 2.270 ( 3.495 -0.309 3.061) 4.656 2.339 ( -5.057 -0.128 -2.035) 5.452 2.502 ( -7.511 -0.659 -6.715) 10.097 2.659 ( -0.508 -0.012 8.201) 8.217 2.882 ( 1.429 -0.028 -4.024) 4.270 3.118 ( -5.387 0.064 6.344) 8.323 3.357 ( -1.411 0.608 -3.064) 3.428 3.553 ( -7.730 0.021 3.985) 8.697 3.672 ( -6.015 0.533 -1.937) 6.342 3.691 ( -2.611 -0.479 4.851) 5.530 3.850 ( 4.361 0.168 -4.794) 6.483 3.928 ( 0.672 -0.183 -0.301) 0.759 4.086 ( 6.417 -0.153 -9.413) 11.393 4.706 ( 5.232 0.141 7.217) 8.915 4.734 ( 0.186 0.405 1.841) 1.894 4.902 ( 9.758 2.487 1.118) 10.132 4.987 ( 2.777 -2.731 4.857) 6.226 5.027 ( 5.267 3.875 -3.031) 7.207 5.156 ( -6.471 -5.945 -4.406) 9.830 ======================= Grid point 410 (139/196) ======================= q-point: (-0.46 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -4.213 2.043 7.946) 9.223 1.109 ( -11.199 0.789 7.225) 13.351 1.193 ( -4.628 0.094 -6.047) 7.615 1.756 ( -11.895 0.926 -1.560) 12.032 1.784 ( -13.146 -0.440 2.120) 13.323 2.264 ( -2.709 -0.206 3.718) 4.605 2.340 ( 3.051 -0.694 2.306) 3.887 2.372 ( -5.652 -0.756 -11.344) 12.697 2.690 ( 3.658 -0.222 6.602) 7.551 2.904 ( 0.548 -0.226 0.944) 1.115 3.026 ( -3.876 -0.427 2.648) 4.713 3.322 ( -2.288 0.264 -5.645) 6.097 3.411 ( -7.273 -0.519 3.185) 7.957 3.531 ( -7.485 0.200 -2.966) 8.054 3.656 ( -1.528 -0.454 7.645) 7.809 3.868 ( -0.889 -0.399 -3.159) 3.306 3.998 ( 4.721 0.350 -0.909) 4.821 4.192 ( 3.865 -0.010 -8.856) 9.662 4.654 ( -5.515 -0.761 2.033) 5.927 4.751 ( -5.287 -0.265 -0.703) 5.340 4.899 ( -4.986 -2.492 7.616) 9.438 5.028 ( 5.179 0.868 1.440) 5.445 5.130 ( 8.812 0.106 4.401) 9.850 5.324 ( 12.625 0.258 -5.639) 13.829 ======================= Grid point 411 (140/196) ======================= q-point: (-0.38 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -3.182 4.613 6.758) 8.779 0.929 ( -6.686 1.677 14.279) 15.856 1.097 ( -5.233 0.468 -10.809) 12.018 1.478 ( -11.204 0.469 23.965) 26.459 1.604 ( -8.362 0.729 -16.619) 18.619 2.241 ( -0.201 -0.251 5.319) 5.329 2.307 ( -1.800 -0.670 -13.231) 13.370 2.389 ( 1.445 -1.166 4.404) 4.780 2.788 ( 5.611 -0.744 2.578) 6.220 2.885 ( -2.229 -0.091 10.033) 10.278 3.003 ( 0.589 -1.496 -6.266) 6.469 3.263 ( -3.591 -0.085 -7.062) 7.923 3.289 ( -5.724 -0.859 2.164) 6.179 3.413 ( -4.573 -0.518 -2.659) 5.315 3.640 ( -0.545 -0.644 7.963) 8.008 3.855 ( -0.606 -0.597 -2.540) 2.679 4.061 ( 1.889 0.495 1.239) 2.312 4.217 ( -0.751 0.249 -4.709) 4.775 4.541 ( -11.904 -2.589 0.672) 12.201 4.588 ( -1.872 -1.026 -3.273) 3.907 4.930 ( 2.395 -1.963 11.335) 11.751 5.107 ( 3.241 0.325 1.618) 3.637 5.263 ( 5.371 2.065 5.718) 8.112 5.521 ( 8.127 1.890 -7.965) 11.535 ======================= Grid point 412 (141/196) ======================= q-point: (-0.31 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -0.000 6.094 7.192) 9.427 0.850 ( -0.000 2.430 17.716) 17.882 1.031 ( -0.000 0.325 -11.949) 11.954 1.370 ( -0.000 0.933 26.332) 26.348 1.509 ( -0.000 0.928 -16.955) 16.980 2.243 ( 0.000 -0.250 3.919) 3.927 2.297 ( 0.000 -0.651 -12.071) 12.089 2.410 ( 0.000 -1.404 5.488) 5.665 2.858 ( 0.000 -0.008 10.889) 10.889 2.862 ( 0.000 -1.633 0.263) 1.654 3.026 ( 0.000 -2.123 -7.034) 7.347 3.217 ( 0.000 -0.005 -7.917) 7.917 3.235 ( 0.000 -0.992 3.331) 3.476 3.372 ( 0.000 -1.034 -3.221) 3.383 3.640 ( 0.000 -0.891 7.823) 7.873 3.854 ( 0.000 -0.675 -2.425) 2.518 4.070 ( -0.000 0.400 4.016) 4.036 4.200 ( -0.000 0.464 -2.595) 2.636 4.430 ( 0.000 -2.270 2.514) 3.387 4.580 ( 0.000 -1.046 -5.904) 5.996 4.968 ( 0.000 -2.532 11.361) 11.640 5.138 ( -0.000 0.371 1.774) 1.813 5.300 ( -0.000 2.736 6.358) 6.922 5.588 ( -0.000 2.546 -9.252) 9.596 ======================= Grid point 421 (142/196) ======================= q-point: (-0.62 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -4.414 -0.000 9.375) 10.363 1.265 ( -4.110 -0.000 -10.938) 11.685 1.360 ( -13.615 -0.000 7.822) 15.702 1.865 ( -2.811 -0.000 -14.491) 14.761 2.092 ( -15.378 -0.000 12.239) 19.654 2.268 ( 3.469 0.000 3.111) 4.659 2.339 ( -5.066 -0.000 -2.041) 5.462 2.498 ( -7.494 -0.000 -6.717) 10.064 2.659 ( -0.546 -0.000 8.161) 8.179 2.881 ( 1.389 0.000 -4.008) 4.242 3.118 ( -5.472 -0.000 6.327) 8.365 3.361 ( -1.531 -0.000 -3.216) 3.562 3.553 ( -7.881 -0.000 4.026) 8.850 3.676 ( -6.747 -0.000 -3.486) 7.594 3.687 ( -1.931 -0.000 6.464) 6.747 3.851 ( 4.181 0.000 -4.795) 6.362 3.927 ( 0.804 0.000 -0.259) 0.845 4.085 ( 6.451 0.000 -9.353) 11.362 4.707 ( 5.216 0.000 7.216) 8.904 4.736 ( -0.336 -0.000 1.855) 1.885 4.921 ( 11.327 0.000 1.601) 11.440 4.966 ( 1.483 0.000 4.292) 4.541 5.063 ( 11.987 0.000 -3.379) 12.454 5.108 ( -12.904 -0.000 -3.919) 13.486 ======================= Grid point 423 (143/196) ======================= q-point: (-0.54 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -3.300 0.795 7.223) 7.981 1.116 ( -10.891 0.252 5.524) 12.215 1.194 ( -4.451 0.072 -4.036) 6.009 1.766 ( -14.141 0.819 6.095) 15.420 1.777 ( -10.704 -0.674 -5.527) 12.065 2.262 ( -2.721 -0.068 3.635) 4.541 2.335 ( 2.979 -0.244 2.508) 3.902 2.366 ( -5.599 -0.283 -11.321) 12.633 2.688 ( 3.570 -0.074 6.434) 7.358 2.902 ( 0.520 -0.082 0.717) 0.890 3.022 ( -4.153 -0.142 2.824) 5.024 3.324 ( -2.472 0.129 -6.088) 6.572 3.406 ( -7.558 -0.275 3.639) 8.393 3.533 ( -7.690 0.069 -3.110) 8.296 3.653 ( -1.523 -0.168 7.806) 7.955 3.865 ( -0.968 -0.144 -3.052) 3.205 4.001 ( 4.812 0.125 -0.970) 4.910 4.192 ( 3.966 -0.001 -8.753) 9.610 4.648 ( -5.698 -0.277 1.996) 6.044 4.748 ( -6.949 -0.172 -1.436) 7.098 4.879 ( -4.498 -0.858 9.036) 10.130 5.035 ( 4.538 0.227 1.578) 4.810 5.132 ( 10.116 0.144 3.955) 10.863 5.327 ( 13.735 0.220 -5.544) 14.814 ======================= Grid point 424 (144/196) ======================= q-point: (-0.46 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -2.318 2.773 5.348) 6.455 0.945 ( -6.366 0.908 13.336) 14.806 1.102 ( -5.206 0.347 -9.422) 10.770 1.482 ( -11.107 0.142 23.903) 26.358 1.611 ( -8.267 0.395 -16.645) 18.589 2.238 ( -0.203 -0.142 5.150) 5.156 2.301 ( -1.752 -0.406 -13.010) 13.133 2.378 ( 1.333 -0.683 4.572) 4.811 2.781 ( 5.373 -0.326 2.298) 5.853 2.884 ( -2.160 -0.064 9.989) 10.220 2.989 ( 0.232 -0.814 -6.260) 6.317 3.262 ( -3.703 0.022 -7.520) 8.382 3.280 ( -5.629 -0.623 2.775) 6.307 3.408 ( -4.966 -0.309 -2.753) 5.687 3.634 ( -0.617 -0.352 8.110) 8.141 3.849 ( -0.663 -0.369 -2.504) 2.616 4.065 ( 1.818 0.269 1.274) 2.236 4.220 ( -0.632 0.146 -4.631) 4.677 4.517 ( -11.548 -1.380 1.402) 11.714 4.578 ( -1.749 -0.553 -3.398) 3.862 4.914 ( 2.594 -0.802 11.183) 11.508 5.109 ( 3.061 0.048 1.493) 3.406 5.283 ( 5.907 1.322 5.452) 8.146 5.539 ( 8.386 1.079 -7.616) 11.379 ======================= Grid point 425 (145/196) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -0.000 4.608 5.240) 6.977 0.875 ( -0.000 1.694 17.055) 17.139 1.034 ( -0.000 0.316 -10.705) 10.710 1.377 ( -0.000 0.400 25.710) 25.713 1.519 ( -0.000 0.660 -16.716) 16.729 2.240 ( 0.000 -0.218 3.828) 3.834 2.290 ( 0.000 -0.545 -11.793) 11.805 2.396 ( 0.000 -1.059 5.618) 5.717 2.848 ( 0.000 -0.829 0.159) 0.845 2.858 ( 0.000 -0.007 10.894) 10.894 3.005 ( 0.000 -1.477 -7.118) 7.269 3.217 ( 0.000 -0.002 -7.664) 7.664 3.225 ( 0.000 -0.708 3.073) 3.153 3.362 ( 0.000 -0.728 -3.219) 3.301 3.632 ( 0.000 -0.608 8.086) 8.108 3.846 ( 0.000 -0.572 -2.416) 2.483 4.074 ( -0.000 0.279 4.036) 4.046 4.204 ( -0.000 0.322 -2.607) 2.627 4.409 ( 0.000 -1.303 2.794) 3.083 4.570 ( 0.000 -0.687 -6.012) 6.051 4.946 ( 0.000 -1.212 11.164) 11.230 5.139 ( -0.000 0.018 1.579) 1.579 5.330 ( -0.000 2.211 6.050) 6.441 5.613 ( -0.000 1.679 -8.705) 8.865 ======================= Grid point 436 (146/196) ======================= q-point: (-0.54 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -2.002 -0.000 4.826) 5.225 0.950 ( -6.247 -0.000 12.974) 14.399 1.105 ( -5.203 -0.000 -8.871) 10.284 1.482 ( -11.090 -0.000 23.923) 26.368 1.613 ( -8.226 -0.000 -16.676) 18.594 2.237 ( -0.209 -0.000 5.073) 5.077 2.298 ( -1.739 -0.000 -12.934) 13.050 2.374 ( 1.286 0.000 4.644) 4.818 2.780 ( 5.307 0.000 2.192) 5.742 2.884 ( -2.132 -0.000 9.964) 10.189 2.985 ( 0.095 0.000 -6.241) 6.242 3.262 ( -3.775 -0.000 -8.243) 9.067 3.276 ( -5.539 -0.000 3.563) 6.586 3.407 ( -5.102 -0.000 -2.792) 5.815 3.632 ( -0.642 -0.000 8.153) 8.178 3.847 ( -0.690 -0.000 -2.490) 2.584 4.067 ( 1.793 0.000 1.288) 2.208 4.221 ( -0.591 -0.000 -4.606) 4.644 4.509 ( -11.362 -0.000 1.634) 11.479 4.575 ( -1.703 -0.000 -3.439) 3.838 4.910 ( 2.644 0.000 11.082) 11.393 5.109 ( 3.013 0.000 1.433) 3.337 5.291 ( 6.081 0.000 5.375) 8.116 5.546 ( 8.447 0.000 -7.473) 11.279 ======================= Grid point 438 (147/196) ======================= q-point: (-0.46 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -0.000 1.736 4.124) 4.475 0.889 ( -0.000 0.606 16.699) 16.710 1.037 ( -0.000 0.123 -9.845) 9.846 1.380 ( -0.000 0.083 25.371) 25.371 1.524 ( -0.000 0.239 -16.581) 16.583 2.238 ( 0.000 -0.083 3.783) 3.784 2.285 ( 0.000 -0.211 -11.700) 11.702 2.387 ( 0.000 -0.398 5.701) 5.715 2.842 ( 0.000 -0.243 0.054) 0.249 2.858 ( 0.000 -0.003 10.896) 10.896 2.993 ( 0.000 -0.529 -7.124) 7.144 3.217 ( -0.000 0.026 -7.332) 7.332 3.219 ( 0.000 -0.284 2.740) 2.755 3.356 ( 0.000 -0.261 -3.220) 3.231 3.627 ( 0.000 -0.214 8.188) 8.191 3.841 ( 0.000 -0.223 -2.412) 2.422 4.077 ( -0.000 0.100 4.047) 4.048 4.207 ( -0.000 0.115 -2.613) 2.615 4.399 ( 0.000 -0.413 2.865) 2.894 4.565 ( 0.000 -0.238 -6.053) 6.058 4.938 ( 0.000 -0.355 10.964) 10.969 5.139 ( 0.000 -0.021 1.437) 1.437 5.348 ( -0.000 0.831 5.912) 5.970 5.626 ( -0.000 0.585 -8.331) 8.352 ======================= Grid point 525 (148/196) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 0.000 0.000 -18.093) 18.093 0.705 ( 0.000 0.000 18.093) 18.093 1.131 ( 0.000 0.000 -19.576) 19.576 1.131 ( 0.000 0.000 19.576) 19.576 1.862 ( 0.000 0.000 -27.502) 27.502 1.862 ( 0.000 0.000 27.502) 27.502 2.426 ( 0.000 0.000 -7.026) 7.026 2.426 ( 0.000 0.000 7.026) 7.026 2.999 ( 0.000 0.000 -5.124) 5.124 2.999 ( 0.000 0.000 5.124) 5.124 3.051 ( 0.000 0.000 -9.854) 9.854 3.051 ( 0.000 0.000 9.854) 9.854 3.341 ( 0.000 0.000 -3.955) 3.955 3.341 ( 0.000 0.000 3.955) 3.955 3.788 ( 0.000 0.000 -5.771) 5.771 3.788 ( 0.000 0.000 5.771) 5.771 4.126 ( 0.000 0.000 -3.540) 3.540 4.126 ( 0.000 0.000 3.540) 3.540 4.555 ( 0.000 0.000 -2.425) 2.425 4.555 ( 0.000 0.000 2.425) 2.425 5.126 ( 0.000 0.000 -3.531) 3.531 5.126 ( 0.000 0.000 3.531) 3.531 5.381 ( 0.000 0.000 -5.808) 5.808 5.381 ( 0.000 0.000 5.808) 5.808 ======================= Grid point 527 (149/196) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 5.377 -0.296 -16.693) 17.540 0.757 ( 5.377 -0.296 16.693) 17.540 1.222 ( 8.152 -0.358 -19.093) 20.764 1.222 ( 8.152 -0.358 19.093) 20.764 1.925 ( 6.795 -0.106 -24.710) 25.627 1.925 ( 6.795 -0.106 24.710) 25.627 2.406 ( -1.937 0.153 -6.186) 6.484 2.406 ( -1.937 0.153 6.186) 6.484 2.935 ( -4.654 0.499 -5.268) 7.047 2.935 ( -4.654 0.499 5.268) 7.047 3.108 ( 4.400 0.154 -8.984) 10.005 3.108 ( 4.400 0.154 8.984) 10.005 3.372 ( 3.148 0.024 -3.757) 4.902 3.372 ( 3.148 0.024 3.757) 4.902 3.793 ( 0.490 0.104 -5.966) 5.987 3.793 ( 0.490 0.104 5.966) 5.987 4.106 ( -2.344 -0.126 -5.292) 5.789 4.106 ( -2.344 -0.126 5.292) 5.789 4.627 ( 6.687 0.537 -0.456) 6.724 4.627 ( 6.687 0.537 0.456) 6.724 5.079 ( -4.909 -0.472 -2.905) 5.724 5.079 ( -4.909 -0.472 2.905) 5.724 5.355 ( -2.238 0.509 -6.222) 6.632 5.355 ( -2.238 0.509 6.222) 6.632 ======================= Grid point 529 (150/196) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 8.870 -0.209 -14.734) 17.199 0.899 ( 8.870 -0.209 14.734) 17.199 1.389 ( 8.433 -0.588 -18.462) 20.305 1.389 ( 8.433 -0.588 18.462) 20.305 2.118 ( 13.030 0.123 -18.193) 22.378 2.118 ( 13.030 0.123 18.193) 22.378 2.361 ( -2.269 0.395 -3.439) 4.138 2.361 ( -2.269 0.395 3.439) 4.138 2.850 ( -3.687 0.479 -6.731) 7.690 2.850 ( -3.687 0.479 6.731) 7.690 3.185 ( 3.352 0.110 -8.475) 9.114 3.185 ( 3.352 0.110 8.475) 9.114 3.460 ( 6.055 -0.426 -3.452) 6.983 3.460 ( 6.055 -0.426 3.452) 6.983 3.802 ( 0.286 0.256 -5.860) 5.873 3.802 ( 0.286 0.256 5.860) 5.873 4.039 ( -4.478 -0.150 -6.495) 7.891 4.039 ( -4.478 -0.150 6.495) 7.891 4.741 ( 4.111 0.356 -1.849) 4.522 4.741 ( 4.111 0.356 1.849) 4.522 4.957 ( -8.041 -1.229 -1.943) 8.363 4.957 ( -8.041 -1.229 1.943) 8.363 5.312 ( -0.820 2.067 -7.959) 8.263 5.312 ( -0.820 2.067 7.959) 8.263 ======================= Grid point 531 (151/196) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 9.191 0.642 -12.996) 15.930 1.073 ( 9.191 0.642 12.996) 15.930 1.547 ( 8.219 -0.587 -14.943) 17.064 1.547 ( 8.219 -0.587 14.943) 17.064 2.325 ( -0.327 0.431 -2.081) 2.150 2.325 ( -0.327 0.431 2.081) 2.150 2.377 ( 12.536 0.658 -11.323) 16.906 2.377 ( 12.536 0.658 11.323) 16.906 2.794 ( -2.172 0.169 -5.830) 6.223 2.794 ( -2.172 0.169 5.830) 6.223 3.236 ( 2.361 -0.474 -5.948) 6.417 3.236 ( 2.361 -0.474 5.948) 6.417 3.593 ( 7.172 -0.619 -3.588) 8.043 3.593 ( 7.172 -0.619 3.588) 8.043 3.781 ( -3.011 0.109 -2.889) 4.174 3.781 ( -3.011 0.109 2.889) 4.174 3.961 ( -2.946 0.027 -3.991) 4.960 3.961 ( -2.946 0.027 3.991) 4.960 4.724 ( -6.844 -0.722 -2.619) 7.363 4.724 ( -6.844 -0.722 2.619) 7.363 4.833 ( -4.514 -1.291 -4.455) 6.472 4.833 ( -4.514 -1.291 4.455) 6.472 5.315 ( 2.764 3.607 -10.026) 11.007 5.315 ( 2.764 3.607 10.026) 11.007 ======================= Grid point 533 (152/196) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 7.309 1.922 -10.304) 12.779 1.224 ( 7.309 1.922 10.304) 12.779 1.716 ( 9.512 -0.402 -8.180) 12.552 1.716 ( 9.512 -0.402 8.180) 12.552 2.326 ( 0.868 0.242 -6.043) 6.110 2.326 ( 0.868 0.242 6.043) 6.110 2.563 ( 6.624 1.064 -9.209) 11.393 2.563 ( 6.624 1.064 9.209) 11.393 2.760 ( -1.470 -0.109 -1.962) 2.454 2.760 ( -1.470 -0.109 1.962) 2.454 3.293 ( 3.348 -0.953 -3.695) 5.076 3.293 ( 3.348 -0.953 3.695) 5.076 3.680 ( -5.678 -0.169 -1.452) 5.863 3.680 ( -5.678 -0.169 1.452) 5.863 3.729 ( 5.289 -0.726 -2.589) 5.934 3.729 ( 5.289 -0.726 2.589) 5.934 3.942 ( 0.451 -0.071 -0.617) 0.767 3.942 ( 0.451 -0.071 0.617) 0.767 4.567 ( -8.368 -1.001 -5.424) 10.022 4.567 ( -8.368 -1.001 5.424) 10.022 4.764 ( -4.169 -0.642 -6.935) 8.117 4.764 ( -4.169 -0.642 6.935) 8.117 5.357 ( 3.449 3.567 -9.411) 10.639 5.357 ( 3.449 3.567 9.411) 10.639 ======================= Grid point 535 (153/196) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 4.523 2.383 -6.462) 8.240 1.323 ( 4.523 2.383 6.462) 8.240 1.910 ( 10.564 -0.251 -0.630) 10.586 1.910 ( 10.564 -0.251 0.630) 10.586 2.337 ( -0.362 0.404 -9.649) 9.664 2.337 ( -0.362 0.404 9.649) 9.664 2.620 ( 0.791 0.057 -9.482) 9.515 2.620 ( 0.791 0.057 9.482) 9.515 2.734 ( -1.498 0.300 -4.648) 4.892 2.734 ( -1.498 0.300 4.648) 4.892 3.364 ( 3.272 -0.641 -3.205) 4.625 3.364 ( 3.272 -0.641 3.205) 4.625 3.568 ( -5.401 -0.331 -3.446) 6.415 3.568 ( -5.401 -0.331 3.446) 6.415 3.824 ( 3.516 -1.012 -1.836) 4.094 3.824 ( 3.516 -1.012 1.836) 4.094 3.960 ( 1.088 -0.110 -0.823) 1.369 3.960 ( 1.088 -0.110 0.823) 1.369 4.459 ( -2.967 -0.752 -8.246) 8.796 4.459 ( -2.967 -0.752 8.246) 8.796 4.678 ( -5.025 0.062 -8.012) 9.458 4.678 ( -5.025 0.062 8.012) 9.458 5.394 ( 2.257 2.507 -6.520) 7.341 5.394 ( 2.257 2.507 6.520) 7.341 ======================= Grid point 537 (154/196) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 1.517 1.104 -2.262) 2.939 1.369 ( 1.517 1.104 2.262) 2.939 2.109 ( 9.856 -0.326 -5.756) 11.418 2.109 ( 9.856 -0.326 5.756) 11.418 2.275 ( -6.097 0.558 -9.596) 11.383 2.275 ( -6.097 0.558 9.596) 11.383 2.640 ( 1.563 -0.765 -8.788) 8.959 2.640 ( 1.563 -0.765 8.788) 8.959 2.694 ( -2.191 0.681 -8.202) 8.517 2.694 ( -2.191 0.681 8.202) 8.517 3.418 ( 2.194 -0.145 -3.416) 4.063 3.418 ( 2.194 -0.145 3.416) 4.063 3.488 ( -3.066 -0.221 -3.825) 4.907 3.488 ( -3.066 -0.221 3.825) 4.907 3.868 ( 0.764 -0.592 -1.540) 1.818 3.868 ( 0.764 -0.592 1.540) 1.818 3.976 ( 0.531 0.091 -1.038) 1.170 3.976 ( 0.531 0.091 1.038) 1.170 4.469 ( 2.828 -0.796 -8.384) 8.884 4.469 ( 2.828 -0.796 8.384) 8.884 4.577 ( -4.978 0.614 -7.840) 9.307 4.577 ( -4.978 0.614 7.840) 9.307 5.413 ( 0.749 0.905 -2.325) 2.605 5.413 ( 0.749 0.905 2.325) 2.605 ======================= Grid point 553 (155/196) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 9.042 0.000 -14.886) 17.417 0.897 ( 9.042 0.000 14.886) 17.417 1.385 ( 8.479 0.000 -18.516) 20.365 1.385 ( 8.479 0.000 18.516) 20.365 2.119 ( 13.150 0.000 -18.292) 22.528 2.119 ( 13.150 0.000 18.292) 22.528 2.363 ( -2.279 -0.000 -3.497) 4.174 2.363 ( -2.279 -0.000 3.497) 4.174 2.853 ( -3.820 -0.000 -6.715) 7.726 2.853 ( -3.820 -0.000 6.715) 7.726 3.185 ( 3.226 0.000 -8.406) 9.004 3.185 ( 3.226 0.000 8.406) 9.004 3.458 ( 5.991 0.000 -3.561) 6.969 3.458 ( 5.991 0.000 3.561) 6.969 3.803 ( 0.268 0.000 -5.861) 5.867 3.803 ( 0.268 0.000 5.861) 5.867 4.039 ( -4.427 -0.000 -6.536) 7.894 4.039 ( -4.427 -0.000 6.536) 7.894 4.743 ( 3.833 0.000 -1.613) 4.159 4.743 ( 3.833 0.000 1.613) 4.159 4.949 ( -8.100 -0.000 -2.119) 8.373 4.949 ( -8.100 -0.000 2.119) 8.373 5.325 ( -0.490 -0.000 -8.519) 8.533 5.325 ( -0.490 -0.000 8.519) 8.533 ======================= Grid point 555 (156/196) ======================= q-point: ( 0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 9.635 0.234 -13.010) 16.191 1.078 ( 9.635 0.234 13.010) 16.191 1.542 ( 8.342 -0.208 -14.982) 17.149 1.542 ( 8.342 -0.208 14.982) 17.149 2.328 ( -0.528 0.159 -1.859) 1.939 2.328 ( -0.528 0.159 1.859) 1.939 2.383 ( 12.833 0.237 -11.550) 17.267 2.383 ( 12.833 0.237 11.550) 17.267 2.795 ( -2.353 0.067 -5.873) 6.327 2.795 ( -2.353 0.067 5.873) 6.327 3.232 ( 2.100 -0.184 -5.769) 6.142 3.232 ( 2.100 -0.184 5.769) 6.142 3.588 ( 7.201 -0.243 -3.814) 8.153 3.588 ( 7.201 -0.243 3.814) 8.153 3.782 ( -3.148 0.045 -2.813) 4.222 3.782 ( -3.148 0.045 2.813) 4.222 3.961 ( -2.886 0.008 -3.967) 4.905 3.961 ( -2.886 0.008 3.967) 4.905 4.718 ( -7.264 -0.280 -2.884) 7.821 4.718 ( -7.264 -0.280 2.884) 7.821 4.823 ( -3.999 -0.426 -4.508) 6.041 4.823 ( -3.999 -0.426 4.508) 6.041 5.345 ( 2.642 1.303 -10.812) 11.206 5.345 ( 2.642 1.303 10.812) 11.206 ======================= Grid point 557 (157/196) ======================= q-point: ( 0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 7.696 1.080 -10.091) 12.737 1.242 ( 7.696 1.080 10.091) 12.737 1.713 ( 9.653 -0.221 -8.173) 12.650 1.713 ( 9.653 -0.221 8.173) 12.650 2.328 ( 0.805 0.134 -5.919) 5.975 2.328 ( 0.805 0.134 5.919) 5.975 2.573 ( 6.442 0.618 -9.291) 11.323 2.573 ( 6.442 0.618 9.291) 11.323 2.759 ( -1.482 -0.076 -1.922) 2.428 2.759 ( -1.482 -0.076 1.922) 2.428 3.284 ( 3.364 -0.576 -3.398) 4.816 3.284 ( 3.364 -0.576 3.398) 4.816 3.678 ( -5.480 -0.189 -0.746) 5.534 3.678 ( -5.480 -0.189 0.746) 5.534 3.723 ( 4.966 -0.311 -1.677) 5.250 3.723 ( 4.966 -0.311 1.677) 5.250 3.941 ( 0.335 -0.043 -0.526) 0.625 3.941 ( 0.335 -0.043 0.526) 0.625 4.558 ( -8.136 -0.545 -5.670) 9.932 4.558 ( -8.136 -0.545 5.670) 9.932 4.758 ( -3.810 -0.339 -6.891) 7.881 4.758 ( -3.810 -0.339 6.891) 7.881 5.391 ( 2.818 1.991 -9.924) 10.507 5.391 ( 2.818 1.991 9.924) 10.507 ======================= Grid point 559 (158/196) ======================= q-point: ( 0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 4.180 1.662 -6.071) 7.556 1.347 ( 4.180 1.662 6.071) 7.556 1.907 ( 10.616 -0.160 -0.519) 10.630 1.907 ( 10.616 -0.160 0.519) 10.630 2.341 ( -0.194 0.271 -9.512) 9.518 2.341 ( -0.194 0.271 9.512) 9.518 2.620 ( -0.027 -0.020 -9.643) 9.643 2.620 ( -0.027 -0.020 9.643) 9.643 2.737 ( -1.140 0.259 -4.852) 4.991 2.737 ( -1.140 0.259 4.852) 4.991 3.357 ( 3.602 -0.490 -2.874) 4.634 3.357 ( 3.602 -0.490 2.874) 4.634 3.564 ( -5.442 -0.262 -3.071) 6.254 3.564 ( -5.442 -0.262 3.071) 6.254 3.814 ( 3.523 -0.643 -1.836) 4.025 3.814 ( 3.523 -0.643 1.836) 4.025 3.959 ( 1.239 -0.065 -0.809) 1.481 3.959 ( 1.239 -0.065 0.809) 1.481 4.451 ( -2.917 -0.530 -8.250) 8.767 4.451 ( -2.917 -0.530 8.250) 8.767 4.679 ( -4.664 0.020 -7.999) 9.259 4.679 ( -4.664 0.020 7.999) 9.259 5.420 ( 1.398 1.774 -6.873) 7.235 5.420 ( 1.398 1.774 6.873) 7.235 ======================= Grid point 561 (159/196) ======================= q-point: ( 0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 0.293 0.849 -1.793) 2.005 1.381 ( 0.293 0.849 1.793) 2.005 2.105 ( 9.799 -0.226 -5.880) 11.430 2.105 ( 9.799 -0.226 5.880) 11.430 2.281 ( -6.252 0.424 -9.508) 11.387 2.281 ( -6.252 0.424 9.508) 11.387 2.631 ( 1.639 -0.637 -8.782) 8.957 2.631 ( 1.639 -0.637 8.782) 8.957 2.702 ( -2.219 0.582 -8.135) 8.452 2.702 ( -2.219 0.582 8.135) 8.452 3.416 ( 2.416 -0.140 -3.108) 3.939 3.416 ( 2.416 -0.140 3.108) 3.939 3.486 ( -2.873 -0.196 -3.366) 4.430 3.486 ( -2.873 -0.196 3.366) 4.430 3.862 ( 1.357 -0.437 -1.485) 2.058 3.862 ( 1.357 -0.437 1.485) 2.058 3.978 ( 0.528 0.119 -1.198) 1.314 3.978 ( 0.528 0.119 1.198) 1.314 4.460 ( 2.930 -0.700 -8.328) 8.856 4.460 ( 2.930 -0.700 8.328) 8.856 4.584 ( -4.903 0.464 -7.946) 9.349 4.584 ( -4.903 0.464 7.946) 9.349 5.423 ( -0.277 0.773 -2.672) 2.795 5.423 ( -0.277 0.773 2.672) 2.795 ======================= Grid point 563 (160/196) ======================= q-point: (-0.54 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -2.803 -1.119 -2.744) 4.079 1.356 ( -2.803 -1.119 2.744) 4.079 2.113 ( -9.969 0.371 -5.574) 11.428 2.113 ( -9.969 0.371 5.574) 11.428 2.268 ( 6.005 -0.583 -9.738) 11.456 2.268 ( 6.005 -0.583 9.738) 11.456 2.648 ( -1.552 0.720 -8.726) 8.892 2.648 ( -1.552 0.720 8.726) 8.892 2.687 ( 2.186 -0.625 -8.174) 8.484 2.687 ( 2.186 -0.625 8.174) 8.484 3.420 ( -1.970 0.115 -3.702) 4.195 3.420 ( -1.970 0.115 3.702) 4.195 3.491 ( 3.261 0.193 -4.234) 5.348 3.491 ( 3.261 0.193 4.234) 5.348 3.875 ( -0.067 0.622 -1.387) 1.521 3.875 ( -0.067 0.622 1.387) 1.521 3.976 ( -0.581 -0.028 -0.875) 1.050 3.976 ( -0.581 -0.028 0.875) 1.050 4.478 ( -2.644 0.700 -8.378) 8.813 4.478 ( -2.644 0.700 8.378) 8.813 4.570 ( 4.993 -0.634 -7.660) 9.166 4.570 ( 4.993 -0.634 7.660) 9.166 5.402 ( -1.848 -0.823 -1.949) 2.809 5.402 ( -1.848 -0.823 1.949) 2.809 ======================= Grid point 565 (161/196) ======================= q-point: (-0.46 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -4.917 -2.584 -6.959) 8.904 1.293 ( -4.917 -2.584 6.959) 8.904 1.913 ( -10.511 0.299 -0.770) 10.543 1.913 ( -10.511 0.299 0.770) 10.543 2.332 ( 0.556 -0.458 -9.810) 9.837 2.332 ( 0.556 -0.458 9.810) 9.837 2.619 ( -1.725 -0.164 -9.155) 9.317 2.619 ( -1.725 -0.164 9.155) 9.317 2.731 ( 1.884 -0.240 -4.267) 4.671 2.731 ( 1.884 -0.240 4.267) 4.671 3.372 ( -2.903 0.622 -3.612) 4.676 3.372 ( -2.903 0.622 3.612) 4.676 3.572 ( 5.320 0.298 -3.802) 6.546 3.572 ( 5.320 0.298 3.802) 6.546 3.837 ( -3.498 1.214 -1.817) 4.125 3.837 ( -3.498 1.214 1.817) 4.125 3.962 ( -0.912 0.140 -0.886) 1.280 3.962 ( -0.912 0.140 0.886) 1.280 4.468 ( 3.073 0.809 -8.210) 8.803 4.468 ( 3.073 0.809 8.210) 8.803 4.677 ( 5.492 -0.118 -7.982) 9.689 4.677 ( 5.492 -0.118 7.982) 9.689 5.364 ( -3.327 -2.668 -6.079) 7.425 5.364 ( -3.327 -2.668 6.079) 7.425 ======================= Grid point 567 (162/196) ======================= q-point: (-0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -6.750 -2.337 -10.600) 12.783 1.198 ( -6.750 -2.337 10.600) 12.783 1.722 ( -9.314 0.503 -8.204) 12.422 1.722 ( -9.314 0.503 8.204) 12.422 2.323 ( -0.934 -0.300 -6.216) 6.293 2.323 ( -0.934 -0.300 6.216) 6.293 2.549 ( -6.872 -1.246 -9.085) 11.460 2.549 ( -6.872 -1.246 9.085) 11.460 2.761 ( 1.458 0.096 -2.042) 2.511 2.761 ( 1.458 0.096 2.042) 2.511 3.305 ( -3.338 1.049 -4.126) 5.410 3.305 ( -3.338 1.049 4.126) 5.410 3.681 ( 5.481 0.005 -2.027) 5.844 3.681 ( 5.481 0.005 2.027) 5.844 3.740 ( -5.314 1.093 -3.221) 6.310 3.740 ( -5.314 1.093 3.221) 6.310 3.942 ( -0.633 0.070 -0.732) 0.970 3.942 ( -0.633 0.070 0.732) 0.970 4.581 ( 8.679 1.271 -4.989) 10.091 4.581 ( 8.679 1.271 4.989) 10.091 4.773 ( 4.794 0.870 -6.936) 8.477 4.773 ( 4.794 0.870 6.936) 8.477 5.310 ( -4.387 -4.400 -8.700) 10.691 5.310 ( -4.387 -4.400 8.700) 10.691 ======================= Grid point 569 (163/196) ======================= q-point: (-0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -8.384 -0.885 -12.932) 15.438 1.064 ( -8.384 -0.885 12.932) 15.438 1.555 ( -7.994 0.854 -14.878) 16.911 1.555 ( -7.994 0.854 14.878) 16.911 2.319 ( -0.070 -0.592 -2.527) 2.597 2.319 ( -0.070 -0.592 2.527) 2.597 2.368 ( -11.984 -0.928 -10.865) 16.203 2.368 ( -11.984 -0.928 10.865) 16.203 2.791 ( 1.879 -0.207 -5.769) 6.070 2.791 ( 1.879 -0.207 5.769) 6.070 3.242 ( -2.800 0.591 -6.263) 6.886 3.242 ( -2.800 0.591 6.263) 6.886 3.602 ( -7.163 0.739 -3.255) 7.903 3.602 ( -7.163 0.739 3.255) 7.903 3.780 ( 2.750 -0.113 -3.045) 4.104 3.780 ( 2.750 -0.113 3.045) 4.104 3.960 ( 3.060 -0.048 -4.030) 5.060 3.960 ( 3.060 -0.048 4.030) 5.060 4.734 ( 6.052 0.892 -2.118) 6.474 4.734 ( 6.052 0.892 2.118) 6.474 4.853 ( 5.395 2.139 -4.320) 7.234 4.853 ( 5.395 2.139 4.320) 7.234 5.263 ( -2.852 -5.129 -8.680) 10.478 5.263 ( -2.852 -5.129 8.680) 10.478 ======================= Grid point 571 (164/196) ======================= q-point: (-0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -8.362 0.445 -14.278) 16.552 0.902 ( -8.362 0.445 14.278) 16.552 1.399 ( -8.302 1.070 -18.309) 20.131 1.399 ( -8.302 1.070 18.309) 20.131 2.116 ( -12.708 -0.273 -17.928) 21.977 2.116 ( -12.708 -0.273 17.928) 21.977 2.355 ( 2.230 -0.666 -3.278) 4.020 2.355 ( 2.230 -0.666 3.278) 4.020 2.842 ( 3.331 -0.783 -6.753) 7.570 2.842 ( 3.331 -0.783 6.753) 7.570 3.183 ( -3.656 -0.170 -8.658) 9.400 3.183 ( -3.656 -0.170 8.658) 9.400 3.467 ( -6.269 0.550 -3.235) 7.076 3.467 ( -6.269 0.550 3.235) 7.076 3.798 ( -0.340 -0.433 -5.863) 5.889 3.798 ( -0.340 -0.433 5.863) 5.889 4.042 ( 4.619 0.263 -6.380) 7.881 4.042 ( 4.619 0.263 6.380) 7.881 4.735 ( -4.886 -0.662 -2.332) 5.454 4.735 ( -4.886 -0.662 2.332) 5.454 4.976 ( 7.668 1.853 -1.384) 8.009 4.976 ( 7.668 1.853 1.384) 8.009 5.281 ( 2.005 -3.074 -6.629) 7.577 5.281 ( 2.005 -3.074 6.629) 7.577 ======================= Grid point 573 (165/196) ======================= q-point: (-0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -5.228 0.932 -16.087) 16.941 0.764 ( -5.228 0.932 16.087) 16.941 1.230 ( -8.102 1.003 -18.897) 20.585 1.230 ( -8.102 1.003 18.897) 20.585 1.927 ( -6.654 0.247 -24.441) 25.332 1.927 ( -6.654 0.247 24.441) 25.332 2.402 ( 2.048 -0.451 -5.980) 6.337 2.402 ( 2.048 -0.451 5.980) 6.337 2.924 ( 4.339 -1.328 -5.578) 7.190 2.924 ( 4.339 -1.328 5.578) 7.190 3.105 ( -4.368 -0.346 -9.258) 10.242 3.105 ( -4.368 -0.346 9.258) 10.242 3.371 ( -3.560 -0.163 -3.677) 5.121 3.371 ( -3.560 -0.163 3.677) 5.121 3.790 ( -0.420 -0.306 -6.045) 6.067 3.790 ( -0.420 -0.306 6.045) 6.067 4.108 ( 2.355 0.347 -5.229) 5.745 4.108 ( 2.355 0.347 5.229) 5.745 4.615 ( -6.869 -1.431 -0.376) 7.026 4.615 ( -6.869 -1.431 0.376) 7.026 5.088 ( 4.603 0.828 -1.612) 4.947 5.088 ( 4.603 0.828 1.612) 4.947 5.347 ( 2.915 -0.748 -6.059) 6.765 5.347 ( 2.915 -0.748 6.059) 6.765 ======================= Grid point 575 (166/196) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -0.000 0.711 -17.713) 17.727 0.709 ( -0.000 0.711 17.713) 17.727 1.135 ( -0.000 0.748 -19.451) 19.466 1.135 ( -0.000 0.748 19.451) 19.466 1.864 ( -0.000 0.309 -27.341) 27.343 1.864 ( -0.000 0.309 27.341) 27.343 2.425 ( 0.000 -0.172 -6.873) 6.876 2.425 ( 0.000 -0.172 6.873) 6.876 2.990 ( 0.000 -1.486 -5.196) 5.404 2.990 ( 0.000 -1.486 5.196) 5.404 3.051 ( -0.000 0.004 -9.855) 9.855 3.051 ( -0.000 0.004 9.855) 9.855 3.338 ( 0.000 -0.514 -3.950) 3.983 3.338 ( 0.000 -0.514 3.950) 3.983 3.788 ( 0.000 -0.123 -5.848) 5.849 3.788 ( 0.000 -0.123 5.848) 5.849 4.127 ( -0.000 0.231 -3.547) 3.554 4.127 ( -0.000 0.231 3.547) 3.554 4.548 ( 0.000 -1.092 -2.570) 2.793 4.548 ( 0.000 -1.092 2.570) 2.793 5.129 ( -0.000 0.511 -2.644) 2.693 5.129 ( -0.000 0.511 2.644) 2.693 5.379 ( 0.000 -0.232 -5.955) 5.960 5.379 ( 0.000 -0.232 5.955) 5.960 ======================= Grid point 581 (167/196) ======================= q-point: ( 0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 7.834 0.000 -10.013) 12.714 1.248 ( 7.834 0.000 10.013) 12.714 1.711 ( 9.704 0.000 -8.172) 12.687 1.711 ( 9.704 0.000 8.172) 12.687 2.329 ( 0.779 0.000 -5.874) 5.926 2.329 ( 0.779 0.000 5.874) 5.926 2.577 ( 6.375 0.000 -9.320) 11.291 2.577 ( 6.375 0.000 9.320) 11.291 2.759 ( -1.487 -0.000 -1.910) 2.421 2.759 ( -1.487 -0.000 1.910) 2.421 3.280 ( 3.372 0.000 -3.293) 4.713 3.280 ( 3.372 0.000 3.293) 4.713 3.677 ( -5.309 -0.000 -0.505) 5.333 3.677 ( -5.309 -0.000 0.505) 5.333 3.721 ( 4.756 0.000 -1.184) 4.901 3.721 ( 4.756 0.000 1.184) 4.901 3.941 ( 0.296 0.000 -0.492) 0.574 3.941 ( 0.296 0.000 0.492) 0.574 4.555 ( -8.051 -0.000 -5.749) 9.893 4.555 ( -8.051 -0.000 5.749) 9.893 4.756 ( -3.694 -0.000 -6.868) 7.798 4.756 ( -3.694 -0.000 6.868) 7.798 5.402 ( 2.594 0.000 -10.111) 10.439 5.402 ( 2.594 0.000 10.111) 10.439 ======================= Grid point 583 (168/196) ======================= q-point: ( 0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 3.979 0.595 -5.859) 7.108 1.361 ( 3.979 0.595 5.859) 7.108 1.906 ( 10.649 -0.054 -0.457) 10.659 1.906 ( 10.649 -0.054 0.457) 10.659 2.343 ( -0.096 0.095 -9.434) 9.435 2.343 ( -0.096 0.095 9.434) 9.435 2.620 ( -0.499 -0.020 -9.688) 9.701 2.620 ( -0.499 -0.020 9.688) 9.701 2.739 ( -0.932 0.103 -4.923) 5.011 2.739 ( -0.932 0.103 4.923) 5.011 3.353 ( 3.799 -0.185 -2.694) 4.661 3.353 ( 3.799 -0.185 2.694) 4.661 3.562 ( -5.454 -0.100 -2.825) 6.143 3.562 ( -5.454 -0.100 2.825) 6.143 3.809 ( 3.523 -0.217 -1.825) 3.974 3.809 ( 3.523 -0.217 1.825) 3.974 3.959 ( 1.326 -0.021 -0.815) 1.557 3.959 ( 1.326 -0.021 0.815) 1.557 4.447 ( -2.903 -0.191 -8.244) 8.743 4.447 ( -2.903 -0.191 8.244) 8.743 4.679 ( -4.470 0.003 -7.979) 9.146 4.679 ( -4.470 0.003 7.979) 9.146 5.434 ( 0.923 0.639 -7.070) 7.159 5.434 ( 0.923 0.639 7.070) 7.159 ======================= Grid point 585 (169/196) ======================= q-point: ( 0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -0.582 0.453 -1.437) 1.615 1.389 ( -0.582 0.453 1.437) 1.615 2.103 ( 9.779 -0.112 -5.945) 11.445 2.103 ( 9.779 -0.112 5.945) 11.445 2.285 ( -6.393 0.226 -9.469) 11.427 2.285 ( -6.393 0.226 9.469) 11.427 2.625 ( 1.725 -0.360 -8.788) 8.963 2.625 ( 1.725 -0.360 8.788) 8.963 2.708 ( -2.244 0.336 -8.083) 8.396 2.708 ( -2.244 0.336 8.083) 8.396 3.415 ( 2.580 -0.087 -2.866) 3.858 3.415 ( 2.580 -0.087 2.866) 3.858 3.484 ( -2.732 -0.115 -2.990) 4.052 3.484 ( -2.732 -0.115 2.990) 4.052 3.858 ( 1.743 -0.226 -1.321) 2.199 3.858 ( 1.743 -0.226 1.321) 2.199 3.979 ( 0.550 0.085 -1.307) 1.420 3.979 ( 0.550 0.085 1.307) 1.420 4.453 ( 2.970 -0.411 -8.267) 8.794 4.453 ( 2.970 -0.411 8.267) 8.794 4.588 ( -4.827 0.245 -7.997) 9.344 4.588 ( -4.827 0.245 7.997) 9.344 5.430 ( -0.999 0.445 -2.913) 3.111 5.430 ( -0.999 0.445 2.913) 3.111 ======================= Grid point 587 (170/196) ======================= q-point: (-0.62 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -3.860 -0.841 -3.140) 5.046 1.344 ( -3.860 -0.841 3.140) 5.046 2.117 ( -10.128 0.309 -5.370) 11.468 2.117 ( -10.128 0.309 5.370) 11.468 2.262 ( 6.006 -0.456 -9.904) 11.592 2.262 ( 6.006 -0.456 9.904) 11.592 2.656 ( -1.642 0.519 -8.170) 8.349 2.656 ( -1.642 0.519 8.170) 8.349 2.680 ( 2.245 -0.443 -7.574) 7.912 2.680 ( 2.245 -0.443 7.574) 7.912 3.421 ( -1.792 0.070 -3.908) 4.300 3.421 ( -1.792 0.070 3.908) 4.300 3.493 ( 3.414 0.127 -4.516) 5.663 3.493 ( 3.414 0.127 4.516) 5.663 3.882 ( 0.572 0.477 -1.041) 1.280 3.882 ( 0.572 0.477 1.041) 1.280 3.976 ( -0.662 0.019 -0.771) 1.017 3.976 ( -0.662 0.019 0.771) 1.017 4.485 ( -2.400 0.463 -8.277) 8.630 4.485 ( -2.400 0.463 8.277) 8.630 4.563 ( 4.920 -0.482 -7.417) 8.913 4.563 ( 4.920 -0.482 7.417) 8.913 5.394 ( -2.766 -0.565 -1.631) 3.260 5.394 ( -2.766 -0.565 1.631) 3.260 ======================= Grid point 589 (171/196) ======================= q-point: (-0.54 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -5.270 -2.188 -7.455) 9.388 1.265 ( -5.270 -2.188 7.455) 9.388 1.916 ( -10.469 0.274 -0.907) 10.512 1.916 ( -10.469 0.274 0.907) 10.512 2.327 ( 0.732 -0.403 -9.960) 9.995 2.327 ( 0.732 -0.403 9.960) 9.995 2.616 ( -2.529 -0.211 -8.732) 9.094 2.616 ( -2.529 -0.211 8.732) 9.094 2.728 ( 2.178 -0.145 -3.792) 4.376 2.728 ( 2.178 -0.145 3.792) 4.376 3.378 ( -2.581 0.476 -3.994) 4.780 3.378 ( -2.581 0.476 3.994) 4.780 3.574 ( 5.214 0.203 -4.045) 6.602 3.574 ( 5.214 0.203 4.045) 6.602 3.851 ( -3.480 1.117 -1.806) 4.076 3.851 ( -3.480 1.117 1.806) 4.076 3.963 ( -0.754 0.134 -0.993) 1.254 3.963 ( -0.754 0.134 0.993) 1.254 4.477 ( 3.226 0.684 -8.127) 8.770 4.477 ( 3.226 0.684 8.127) 8.770 4.676 ( 5.964 -0.149 -7.891) 9.893 4.676 ( 5.964 -0.149 7.891) 9.893 5.334 ( -4.373 -2.215 -5.644) 7.475 5.334 ( -4.373 -2.215 5.644) 7.475 ======================= Grid point 591 (172/196) ======================= q-point: (-0.46 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -6.135 -2.221 -10.907) 12.710 1.171 ( -6.135 -2.221 10.907) 12.710 1.728 ( -9.105 0.494 -8.245) 12.294 1.728 ( -9.105 0.494 8.245) 12.294 2.319 ( -0.975 -0.292 -6.399) 6.479 2.319 ( -0.975 -0.292 6.399) 6.479 2.535 ( -7.132 -1.151 -8.947) 11.499 2.535 ( -7.132 -1.151 8.947) 11.499 2.762 ( 1.451 0.061 -2.154) 2.598 2.762 ( 1.451 0.061 2.154) 2.598 3.317 ( -3.338 0.902 -4.601) 5.755 3.317 ( -3.338 0.902 4.601) 5.755 3.681 ( 5.081 -0.110 -2.211) 5.542 3.681 ( 5.081 -0.110 2.211) 5.542 3.753 ( -5.207 1.164 -3.443) 6.350 3.753 ( -5.207 1.164 3.443) 6.350 3.943 ( -0.847 0.042 -0.829) 1.186 3.943 ( -0.847 0.042 0.829) 1.186 4.596 ( 8.972 1.264 -4.363) 10.057 4.596 ( 8.972 1.264 4.363) 10.057 4.784 ( 5.688 0.960 -6.820) 8.932 4.784 ( 5.688 0.960 6.820) 8.932 5.258 ( -5.505 -4.291 -7.947) 10.577 5.258 ( -5.505 -4.291 7.947) 10.577 ======================= Grid point 593 (173/196) ======================= q-point: (-0.38 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -7.369 -0.906 -12.785) 14.784 1.053 ( -7.369 -0.906 12.785) 14.784 1.566 ( -7.708 0.941 -14.810) 16.722 1.566 ( -7.708 0.941 14.810) 16.722 2.311 ( -0.662 -0.622 -3.198) 3.325 2.311 ( -0.662 -0.622 3.198) 3.325 2.356 ( -11.227 -0.987 -10.189) 15.193 2.356 ( -11.227 -0.987 10.189) 15.194 2.789 ( 1.567 -0.190 -5.724) 5.938 2.789 ( 1.567 -0.190 5.724) 5.938 3.249 ( -3.293 0.550 -6.643) 7.435 3.249 ( -3.293 0.550 6.643) 7.435 3.610 ( -7.217 0.611 -3.004) 7.841 3.610 ( -7.217 0.611 3.004) 7.841 3.779 ( 2.398 -0.069 -3.270) 4.056 3.779 ( 2.398 -0.069 3.270) 4.056 3.960 ( 3.213 -0.065 -4.073) 5.188 3.960 ( 3.213 -0.065 4.073) 5.188 4.744 ( 5.104 0.816 -1.507) 5.384 4.744 ( 5.104 0.816 1.507) 5.384 4.883 ( 6.302 2.840 -4.149) 8.061 4.883 ( 6.302 2.840 4.149) 8.061 5.199 ( -2.726 -5.697 -7.119) 9.517 5.199 ( -2.726 -5.697 7.119) 9.517 ======================= Grid point 595 (174/196) ======================= q-point: (-0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -7.566 0.678 -13.542) 15.527 0.909 ( -7.566 0.678 13.542) 15.527 1.413 ( -8.115 1.343 -18.084) 19.867 1.413 ( -8.115 1.343 18.084) 19.867 2.112 ( -12.286 -0.441 -17.576) 21.449 2.112 ( -12.286 -0.441 17.576) 21.449 2.346 ( 2.152 -0.744 -3.056) 3.811 2.346 ( 2.152 -0.744 3.056) 3.811 2.833 ( 2.861 -0.852 -6.740) 7.372 2.833 ( 2.861 -0.852 6.740) 7.372 3.181 ( -4.006 -0.179 -8.896) 9.758 3.181 ( -4.006 -0.179 8.896) 9.758 3.472 ( -6.627 0.359 -3.115) 7.332 3.472 ( -6.627 0.359 3.115) 7.332 3.792 ( -0.430 -0.491 -5.873) 5.909 3.792 ( -0.430 -0.491 5.873) 5.909 4.045 ( 4.817 0.312 -6.219) 7.872 4.045 ( 4.817 0.312 6.219) 7.872 4.726 ( -5.989 -0.908 -2.780) 6.665 4.726 ( -5.989 -0.908 2.780) 6.665 4.997 ( 6.554 1.534 -0.791) 6.778 4.997 ( 6.554 1.534 0.791) 6.778 5.247 ( 4.404 -2.528 -5.410) 7.420 5.247 ( 4.404 -2.528 5.410) 7.420 ======================= Grid point 597 (175/196) ======================= q-point: (-0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -4.885 1.595 -14.928) 15.788 0.779 ( -4.885 1.595 14.928) 15.788 1.245 ( -8.030 1.439 -18.542) 20.257 1.245 ( -8.030 1.439 18.542) 20.257 1.930 ( -6.419 0.218 -23.993) 24.837 1.930 ( -6.419 0.218 23.993) 24.837 2.395 ( 2.179 -0.690 -5.636) 6.082 2.395 ( 2.179 -0.690 5.636) 6.082 2.906 ( 3.793 -1.727 -5.882) 7.209 2.906 ( 3.793 -1.727 5.882) 7.209 3.100 ( -4.272 -0.354 -9.597) 10.510 3.100 ( -4.272 -0.354 9.597) 10.510 3.368 ( -4.178 -0.421 -3.605) 5.535 3.368 ( -4.178 -0.421 3.605) 5.535 3.786 ( -0.351 -0.482 -6.138) 6.166 3.786 ( -0.351 -0.482 6.138) 6.166 4.113 ( 2.373 0.481 -5.120) 5.664 4.113 ( 2.373 0.481 5.120) 5.664 4.595 ( -7.076 -1.905 -0.105) 7.329 4.595 ( -7.076 -1.905 0.105) 7.329 5.094 ( 3.937 0.098 -0.832) 4.026 5.094 ( 3.937 0.098 0.832) 4.026 5.344 ( 4.212 0.444 -6.290) 7.583 5.344 ( 4.212 0.444 6.290) 7.583 ======================= Grid point 599 (176/196) ======================= q-point: (-0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -0.000 1.544 -16.607) 16.679 0.722 ( -0.000 1.544 16.607) 16.679 1.148 ( -0.000 1.320 -19.112) 19.157 1.148 ( -0.000 1.320 19.112) 19.157 1.869 ( -0.000 0.449 -26.914) 26.918 1.869 ( -0.000 0.449 26.914) 26.918 2.422 ( 0.000 -0.423 -6.478) 6.491 2.422 ( 0.000 -0.423 6.478) 6.491 2.967 ( 0.000 -2.369 -5.319) 5.822 2.967 ( 0.000 -2.369 5.319) 5.822 3.051 ( -0.000 0.006 -9.859) 9.859 3.051 ( -0.000 0.006 9.859) 9.859 3.329 ( 0.000 -0.907 -3.937) 4.040 3.329 ( 0.000 -0.907 3.937) 4.040 3.785 ( 0.000 -0.324 -6.006) 6.015 3.785 ( 0.000 -0.324 6.006) 6.015 4.131 ( -0.000 0.402 -3.565) 3.587 4.131 ( -0.000 0.402 3.565) 3.587 4.531 ( 0.000 -1.734 -2.977) 3.446 4.531 ( 0.000 -1.734 2.977) 3.446 5.133 ( 0.000 -0.000 -0.211) 0.211 5.133 ( 0.000 -0.000 0.211) 0.211 5.381 ( -0.000 0.778 -6.575) 6.621 5.381 ( -0.000 0.778 6.575) 6.621 ======================= Grid point 609 (177/196) ======================= q-point: ( 0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -0.899 -0.000 -1.300) 1.581 1.391 ( -0.899 -0.000 1.300) 1.581 2.103 ( 9.775 0.000 -5.965) 11.451 2.103 ( 9.775 0.000 5.965) 11.451 2.286 ( -6.450 -0.000 -9.460) 11.449 2.286 ( -6.450 -0.000 9.460) 11.449 2.623 ( 1.762 0.000 -8.793) 8.968 2.623 ( 1.762 0.000 8.793) 8.968 2.710 ( -2.254 -0.000 -8.066) 8.375 2.710 ( -2.254 -0.000 8.066) 8.375 3.415 ( 2.641 0.000 -2.775) 3.831 3.415 ( 2.641 0.000 2.775) 3.831 3.483 ( -2.681 -0.000 -2.842) 3.907 3.483 ( -2.681 -0.000 2.842) 3.907 3.857 ( 1.876 0.000 -1.230) 2.243 3.857 ( 1.876 0.000 1.230) 2.243 3.979 ( 0.563 0.000 -1.345) 1.458 3.979 ( 0.563 0.000 1.345) 1.458 4.451 ( 2.978 0.000 -8.242) 8.763 4.451 ( 2.978 0.000 8.242) 8.763 4.589 ( -4.796 -0.000 -8.012) 9.338 4.589 ( -4.796 -0.000 8.012) 9.338 5.433 ( -1.258 -0.000 -2.999) 3.252 5.433 ( -1.258 -0.000 2.999) 3.252 ======================= Grid point 611 (178/196) ======================= q-point: ( 0.31 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -4.453 -0.313 -3.364) 5.590 1.337 ( -4.453 -0.313 3.364) 5.590 2.120 ( -10.256 0.122 -5.225) 11.511 2.120 ( -10.256 0.122 5.225) 11.511 2.258 ( 6.050 -0.175 -10.022) 11.708 2.258 ( 6.050 -0.175 10.022) 11.708 2.660 ( -1.817 0.195 -6.210) 6.473 2.660 ( -1.817 0.195 6.210) 6.473 2.677 ( 2.388 -0.166 -5.336) 5.849 2.677 ( 2.388 -0.166 5.336) 5.849 3.421 ( -1.693 0.023 -4.013) 4.356 3.421 ( -1.693 0.023 4.013) 4.356 3.494 ( 3.497 0.044 -4.655) 5.822 3.494 ( 3.497 0.044 4.655) 5.822 3.886 ( 0.959 0.179 -0.669) 1.183 3.886 ( 0.959 0.179 0.669) 1.183 3.976 ( -0.725 0.016 -0.746) 1.040 3.976 ( -0.725 0.016 0.746) 1.040 4.488 ( -2.206 0.159 -8.147) 8.442 4.488 ( -2.206 0.159 8.147) 8.442 4.559 ( 4.822 -0.180 -7.211) 8.676 4.559 ( 4.822 -0.180 7.211) 8.676 5.390 ( -3.285 -0.200 -1.449) 3.596 5.390 ( -3.285 -0.200 1.449) 3.596 ======================= Grid point 613 (179/196) ======================= q-point: (-0.62 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -5.511 -1.255 -7.825) 9.653 1.244 ( -5.511 -1.255 7.825) 9.653 1.919 ( -10.445 0.166 -1.008) 10.495 1.919 ( -10.445 0.166 1.008) 10.495 2.323 ( 0.855 -0.237 -10.066) 10.105 2.323 ( 0.855 -0.237 10.066) 10.105 2.614 ( -3.047 -0.147 -8.383) 8.921 2.614 ( -3.047 -0.147 8.383) 8.921 2.727 ( 2.337 -0.063 -3.403) 4.129 2.727 ( 2.337 -0.063 3.403) 4.129 3.383 ( -2.366 0.254 -4.262) 4.881 3.383 ( -2.366 0.254 4.262) 4.881 3.576 ( 5.123 0.097 -4.165) 6.604 3.576 ( 5.123 0.097 4.165) 6.604 3.862 ( -3.469 0.676 -1.819) 3.975 3.862 ( -3.469 0.676 1.819) 3.975 3.965 ( -0.647 0.083 -1.096) 1.276 3.965 ( -0.647 0.083 1.096) 1.276 4.484 ( 3.370 0.394 -8.027) 8.715 4.484 ( 3.370 0.394 8.027) 8.715 4.674 ( 6.318 -0.109 -7.778) 10.021 4.674 ( 6.318 -0.109 7.778) 10.021 5.314 ( -5.140 -1.252 -5.319) 7.502 5.314 ( -5.140 -1.252 5.319) 7.502 ======================= Grid point 615 (180/196) ======================= q-point: (-0.54 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -5.603 -1.589 -11.155) 12.584 1.148 ( -5.603 -1.589 11.155) 12.584 1.733 ( -8.932 0.364 -8.292) 12.193 1.733 ( -8.932 0.364 8.292) 12.193 2.316 ( -0.987 -0.213 -6.549) 6.626 2.316 ( -0.987 -0.213 6.549) 6.626 2.523 ( -7.348 -0.810 -8.827) 11.514 2.523 ( -7.348 -0.810 8.827) 11.514 2.763 ( 1.448 0.028 -2.267) 2.691 2.763 ( 1.448 0.028 2.267) 2.691 3.326 ( -3.341 0.596 -5.007) 6.049 3.326 ( -3.341 0.596 5.007) 6.049 3.679 ( 4.770 -0.118 -2.184) 5.247 3.679 ( 4.770 -0.118 2.184) 5.247 3.766 ( -5.185 0.881 -3.486) 6.309 3.766 ( -5.185 0.881 3.486) 6.309 3.943 ( -1.041 0.008 -0.881) 1.364 3.943 ( -1.041 0.008 0.881) 1.364 4.609 ( 9.165 0.937 -3.636) 9.905 4.609 ( 9.165 0.937 3.636) 9.905 4.794 ( 6.719 0.808 -6.571) 9.433 4.794 ( 6.719 0.808 6.571) 9.433 5.213 ( -6.618 -3.176 -7.299) 10.351 5.213 ( -6.618 -3.176 7.299) 10.351 ======================= Grid point 617 (181/196) ======================= q-point: (-0.46 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -6.365 -0.719 -12.567) 14.105 1.043 ( -6.365 -0.719 12.567) 14.105 1.576 ( -7.423 0.809 -14.760) 16.541 1.576 ( -7.423 0.809 14.760) 16.541 2.304 ( -1.420 -0.528 -4.029) 4.305 2.304 ( -1.420 -0.528 4.029) 4.305 2.346 ( -10.342 -0.813 -9.372) 13.980 2.346 ( -10.342 -0.813 9.372) 13.980 2.787 ( 1.309 -0.140 -5.714) 5.864 2.787 ( 1.309 -0.140 5.714) 5.864 3.255 ( -3.725 0.410 -7.005) 7.944 3.255 ( -3.725 0.410 7.005) 7.944 3.615 ( -7.322 0.376 -2.959) 7.906 3.615 ( -7.322 0.376 2.959) 7.906 3.778 ( 2.025 -0.022 -3.520) 4.061 3.778 ( 2.025 -0.022 3.520) 4.061 3.959 ( 3.375 -0.065 -4.107) 5.316 3.959 ( 3.375 -0.065 4.107) 5.316 4.752 ( 4.267 0.598 -0.948) 4.412 4.752 ( 4.267 0.598 0.948) 4.412 4.919 ( 7.000 3.292 -4.051) 8.732 4.919 ( 7.000 3.292 4.051) 8.732 5.133 ( -2.431 -5.442 -5.662) 8.221 5.133 ( -2.431 -5.442 5.662) 8.221 ======================= Grid point 619 (182/196) ======================= q-point: (-0.38 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -6.620 0.790 -12.635) 14.286 0.918 ( -6.620 0.790 12.635) 14.286 1.429 ( -7.912 1.321 -17.839) 19.560 1.429 ( -7.912 1.321 17.839) 19.560 2.106 ( -11.883 -0.550 -17.243) 20.948 2.106 ( -11.883 -0.550 17.243) 20.948 2.338 ( 2.045 -0.637 -2.822) 3.543 2.338 ( 2.045 -0.637 2.822) 3.543 2.823 ( 2.400 -0.728 -6.693) 7.147 2.823 ( 2.400 -0.728 6.693) 7.147 3.179 ( -4.312 -0.156 -9.123) 10.092 3.179 ( -4.312 -0.156 9.123) 10.092 3.475 ( -7.042 0.075 -3.185) 7.729 3.475 ( -7.042 0.075 3.185) 7.729 3.786 ( -0.549 -0.440 -5.888) 5.930 3.786 ( -0.549 -0.440 5.888) 5.930 4.049 ( 5.024 0.288 -6.051) 7.870 4.049 ( 5.024 0.288 6.051) 7.870 4.715 ( -7.154 -1.005 -3.053) 7.843 4.715 ( -7.154 -1.005 3.053) 7.843 5.009 ( 4.752 0.559 -2.056) 5.207 5.009 ( 4.752 0.559 2.056) 5.207 5.226 ( 7.709 -1.000 -5.091) 9.292 5.226 ( 7.709 -1.000 5.091) 9.292 ======================= Grid point 621 (183/196) ======================= q-point: (-0.31 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -4.342 2.055 -13.392) 14.227 0.801 ( -4.342 2.055 13.392) 14.227 1.262 ( -7.970 1.564 -18.102) 19.840 1.262 ( -7.970 1.564 18.102) 19.840 1.932 ( -6.160 0.038 -23.509) 24.302 1.932 ( -6.160 0.038 23.509) 24.302 2.387 ( 2.232 -0.783 -5.245) 5.754 2.387 ( 2.232 -0.783 5.245) 5.754 2.886 ( 3.202 -1.652 -5.958) 6.962 2.886 ( 3.202 -1.652 5.958) 6.962 3.097 ( -4.130 -0.280 -9.847) 10.681 3.097 ( -4.130 -0.280 9.847) 10.681 3.361 ( -4.764 -0.630 -3.600) 6.004 3.361 ( -4.764 -0.630 3.600) 6.004 3.779 ( -0.351 -0.577 -6.186) 6.222 3.779 ( -0.351 -0.577 6.186) 6.222 4.119 ( 2.392 0.500 -4.996) 5.562 4.119 ( 2.392 0.500 4.996) 5.562 4.573 ( -7.143 -1.899 -0.433) 7.404 4.573 ( -7.143 -1.899 0.433) 7.404 5.090 ( 3.264 -0.737 -3.246) 4.662 5.090 ( 3.264 -0.737 3.246) 4.662 5.358 ( 5.576 1.797 -6.803) 8.978 5.358 ( 5.576 1.797 6.803) 8.978 ======================= Grid point 623 (184/196) ======================= q-point: (-0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -0.000 2.337 -14.934) 15.115 0.745 ( -0.000 2.337 14.934) 15.115 1.165 ( -0.000 1.586 -18.644) 18.711 1.165 ( -0.000 1.586 18.644) 18.711 1.873 ( -0.000 0.353 -26.362) 26.365 1.873 ( -0.000 0.353 26.362) 26.365 2.415 ( 0.000 -0.689 -5.976) 6.016 2.415 ( 0.000 -0.689 5.976) 6.016 2.938 ( 0.000 -2.468 -5.317) 5.861 2.938 ( 0.000 -2.468 5.317) 5.861 3.051 ( -0.000 0.005 -9.864) 9.864 3.051 ( -0.000 0.005 9.864) 9.864 3.318 ( 0.000 -1.089 -3.921) 4.069 3.318 ( 0.000 -1.089 3.921) 4.069 3.780 ( 0.000 -0.548 -6.129) 6.154 3.780 ( 0.000 -0.548 6.129) 6.154 4.136 ( -0.000 0.474 -3.588) 3.620 4.136 ( -0.000 0.474 3.588) 3.620 4.510 ( 0.000 -1.806 -3.520) 3.956 4.510 ( 0.000 -1.806 3.520) 3.956 5.128 ( 0.000 -0.899 -2.602) 2.753 5.128 ( 0.000 -0.899 2.602) 2.753 5.399 ( -0.000 2.255 -7.396) 7.732 5.399 ( -0.000 2.255 7.396) 7.732 ======================= Grid point 637 (185/196) ======================= q-point: (-0.69 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -5.597 -0.000 -7.962) 9.732 1.237 ( -5.597 -0.000 7.962) 9.732 1.920 ( -10.438 -0.000 -1.046) 10.490 1.920 ( -10.438 -0.000 1.046) 10.490 2.322 ( 0.899 0.000 -10.104) 10.144 2.322 ( 0.899 0.000 10.104) 10.144 2.613 ( -3.223 -0.000 -8.249) 8.857 2.613 ( -3.223 -0.000 8.249) 8.857 2.727 ( 2.384 0.000 -3.254) 4.034 2.727 ( 2.384 0.000 3.254) 4.034 3.384 ( -2.291 -0.000 -4.357) 4.923 3.384 ( -2.291 -0.000 4.357) 4.923 3.577 ( 5.088 0.000 -4.199) 6.597 3.577 ( 5.088 0.000 4.199) 6.597 3.866 ( -3.467 -0.000 -1.831) 3.921 3.866 ( -3.467 -0.000 1.831) 3.921 3.965 ( -0.610 -0.000 -1.140) 1.293 3.965 ( -0.610 -0.000 1.140) 1.293 4.486 ( 3.430 0.000 -7.980) 8.686 4.486 ( 3.430 0.000 7.980) 8.686 4.673 ( 6.450 0.000 -7.724) 10.063 4.673 ( 6.450 0.000 7.724) 10.063 5.306 ( -5.423 -0.000 -5.198) 7.511 5.306 ( -5.423 -0.000 5.198) 7.511 ======================= Grid point 641 (186/196) ======================= q-point: (-0.62 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -5.294 -0.577 -11.292) 12.485 1.135 ( -5.294 -0.577 11.292) 12.485 1.736 ( -8.834 0.134 -8.323) 12.138 1.736 ( -8.834 0.134 8.323) 12.138 2.315 ( -0.986 -0.078 -6.633) 6.706 2.315 ( -0.986 -0.078 6.633) 6.706 2.517 ( -7.472 -0.292 -8.759) 11.517 2.517 ( -7.472 -0.292 8.759) 11.517 2.763 ( 1.448 0.008 -2.339) 2.751 2.763 ( 1.448 0.008 2.339) 2.751 3.330 ( -3.344 0.207 -5.240) 6.219 3.330 ( -3.344 0.207 5.240) 6.219 3.678 ( 4.618 -0.049 -2.127) 5.084 3.678 ( 4.618 -0.049 2.127) 5.084 3.773 ( -5.214 0.328 -3.491) 6.284 3.773 ( -5.214 0.328 3.491) 6.284 3.943 ( -1.156 -0.003 -0.896) 1.463 3.943 ( -1.156 -0.003 0.896) 1.463 4.617 ( 9.245 0.347 -3.082) 9.752 4.617 ( 9.245 0.347 3.082) 9.752 4.801 ( 7.487 0.328 -6.330) 9.810 4.801 ( 7.487 0.328 6.330) 9.810 5.187 ( -7.381 -1.184 -6.904) 10.176 5.187 ( -7.381 -1.184 6.904) 10.176 ======================= Grid point 643 (187/196) ======================= q-point: (-0.54 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -5.622 -0.391 -12.360) 13.584 1.037 ( -5.622 -0.391 12.360) 13.584 1.584 ( -7.212 0.470 -14.733) 16.410 1.584 ( -7.212 0.470 14.733) 16.410 2.299 ( -2.142 -0.312 -4.780) 5.247 2.299 ( -2.142 -0.312 4.780) 5.247 2.338 ( -9.546 -0.453 -8.645) 12.886 2.338 ( -9.546 -0.453 8.645) 12.886 2.786 ( 1.145 -0.073 -5.726) 5.839 2.786 ( 1.145 -0.073 5.726) 5.839 3.258 ( -4.016 0.216 -7.267) 8.305 3.258 ( -4.016 0.216 7.267) 8.305 3.619 ( -7.424 0.162 -3.052) 8.029 3.619 ( -7.424 0.162 3.052) 8.029 3.778 ( 1.735 -0.001 -3.719) 4.104 3.778 ( 1.735 -0.001 3.719) 4.104 3.958 ( 3.502 -0.041 -4.127) 5.413 3.958 ( 3.502 -0.041 4.127) 5.413 4.758 ( 3.709 0.313 -0.522) 3.759 4.758 ( 3.709 0.313 0.522) 3.759 4.958 ( 8.092 3.373 -4.141) 9.696 4.958 ( 8.092 3.373 4.141) 9.696 5.074 ( -2.809 -4.508 -4.470) 6.942 5.074 ( -2.809 -4.508 4.470) 6.942 ======================= Grid point 645 (188/196) ======================= q-point: (-0.46 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -5.758 0.656 -11.778) 13.126 0.927 ( -5.758 0.656 11.778) 13.127 1.443 ( -7.736 0.974 -17.638) 19.284 1.443 ( -7.736 0.974 17.638) 19.284 2.100 ( -11.591 -0.483 -17.009) 20.588 2.100 ( -11.591 -0.483 17.009) 20.588 2.332 ( 1.942 -0.412 -2.626) 3.292 2.332 ( 1.942 -0.412 2.626) 3.292 2.816 ( 2.042 -0.480 -6.640) 6.963 2.816 ( 2.042 -0.480 6.640) 6.963 3.177 ( -4.532 -0.108 -9.296) 10.342 3.177 ( -4.532 -0.108 9.296) 10.342 3.474 ( -7.392 -0.084 -3.366) 8.123 3.474 ( -7.392 -0.084 3.366) 8.123 3.782 ( -0.667 -0.304 -5.903) 5.949 3.782 ( -0.667 -0.304 5.903) 5.949 4.052 ( 5.193 0.201 -5.915) 7.874 4.052 ( 5.193 0.201 5.915) 7.874 4.704 ( -8.075 -0.812 -3.134) 8.700 4.704 ( -8.075 -0.812 3.134) 8.700 5.011 ( 3.305 -0.105 -3.559) 4.858 5.011 ( 3.305 -0.105 3.559) 4.858 5.221 ( 10.453 0.083 -5.378) 11.755 5.221 ( 10.453 0.083 5.378) 11.755 ======================= Grid point 647 (189/196) ======================= q-point: (-0.38 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -3.713 1.986 -11.809) 12.537 0.825 ( -3.713 1.986 11.809) 12.537 1.280 ( -7.945 1.331 -17.678) 19.427 1.280 ( -7.945 1.331 17.678) 19.427 1.931 ( -5.939 -0.144 -23.125) 23.876 1.931 ( -5.939 -0.144 23.125) 23.876 2.378 ( 2.187 -0.676 -4.885) 5.394 2.378 ( 2.187 -0.676 4.885) 5.394 2.869 ( 2.728 -1.241 -5.831) 6.556 2.869 ( 2.728 -1.241 5.831) 6.556 3.094 ( -3.991 -0.193 -9.988) 10.757 3.094 ( -3.991 -0.193 9.988) 10.757 3.354 ( -5.182 -0.631 -3.652) 6.371 3.354 ( -5.182 -0.631 3.652) 6.371 3.773 ( -0.418 -0.530 -6.179) 6.216 3.773 ( -0.418 -0.530 6.179) 6.216 4.125 ( 2.408 0.406 -4.888) 5.464 4.125 ( 2.408 0.406 4.888) 5.464 4.552 ( -7.042 -1.478 -0.945) 7.257 4.552 ( -7.042 -1.478 0.945) 7.257 5.080 ( 2.908 -0.848 -4.785) 5.663 5.080 ( 2.908 -0.848 4.785) 5.663 5.381 ( 6.497 2.045 -7.081) 9.825 5.381 ( 6.497 2.045 7.081) 9.825 ======================= Grid point 649 (190/196) ======================= q-point: (-0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -0.000 2.665 -13.030) 13.300 0.775 ( -0.000 2.665 13.030) 13.300 1.183 ( -0.000 1.489 -18.160) 18.221 1.183 ( -0.000 1.489 18.160) 18.221 1.876 ( -0.000 0.118 -25.854) 25.855 1.876 ( -0.000 0.118 25.854) 25.855 2.406 ( 0.000 -0.800 -5.494) 5.552 2.406 ( 0.000 -0.800 5.494) 5.552 2.911 ( 0.000 -1.993 -5.112) 5.487 2.911 ( 0.000 -1.993 5.112) 5.487 3.051 ( -0.000 0.002 -9.869) 9.869 3.051 ( -0.000 0.002 9.869) 9.869 3.305 ( 0.000 -1.021 -3.906) 4.037 3.305 ( 0.000 -1.021 3.906) 4.037 3.773 ( 0.000 -0.649 -6.171) 6.205 3.773 ( 0.000 -0.649 6.171) 6.205 4.142 ( -0.000 0.436 -3.612) 3.638 4.142 ( -0.000 0.436 3.612) 3.638 4.490 ( 0.000 -1.456 -4.012) 4.268 4.490 ( 0.000 -1.456 4.012) 4.268 5.115 ( 0.000 -1.126 -4.502) 4.641 5.115 ( 0.000 -1.126 4.502) 4.641 5.430 ( -0.000 2.744 -7.795) 8.264 5.430 ( -0.000 2.744 7.795) 8.264 ======================= Grid point 667 (191/196) ======================= q-point: (-0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -5.347 -0.000 -12.273) 13.388 1.035 ( -5.347 -0.000 12.273) 13.388 1.587 ( -7.134 -0.000 -14.725) 16.362 1.587 ( -7.134 -0.000 14.725) 16.362 2.298 ( -2.451 -0.000 -5.090) 5.649 2.298 ( -2.451 -0.000 5.090) 5.649 2.335 ( -9.213 -0.000 -8.346) 12.431 2.335 ( -9.213 -0.000 8.347) 12.431 2.785 ( 1.088 0.000 -5.734) 5.836 2.785 ( 1.088 0.000 5.734) 5.836 3.260 ( -4.118 -0.000 -7.363) 8.436 3.260 ( -4.118 -0.000 7.363) 8.436 3.619 ( -7.467 -0.000 -3.111) 8.089 3.619 ( -7.467 -0.000 3.111) 8.089 3.778 ( 1.625 0.000 -3.795) 4.128 3.778 ( 1.625 0.000 3.795) 4.128 3.958 ( 3.551 0.000 -4.133) 5.449 3.958 ( 3.551 0.000 4.133) 5.449 4.759 ( 3.513 0.000 -0.317) 3.528 4.759 ( 3.513 0.000 0.317) 3.528 4.987 ( 11.863 0.000 -4.445) 12.668 4.987 ( 11.863 0.000 4.445) 12.668 5.039 ( -6.319 -0.000 -3.450) 7.199 5.039 ( -6.319 -0.000 3.450) 7.199 ======================= Grid point 671 (192/196) ======================= q-point: (-0.54 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -5.242 0.257 -11.248) 12.412 0.932 ( -5.242 0.257 11.248) 12.412 1.451 ( -7.633 0.360 -17.526) 19.119 1.451 ( -7.633 0.360 17.526) 19.119 2.095 ( -11.444 -0.196 -16.898) 20.410 2.095 ( -11.444 -0.196 16.898) 20.410 2.329 ( 1.879 -0.141 -2.514) 3.141 2.329 ( 1.879 -0.141 2.514) 3.141 2.812 ( 1.849 -0.167 -6.608) 6.864 2.812 ( 1.849 -0.167 6.608) 6.864 3.176 ( -4.647 -0.039 -9.389) 10.476 3.176 ( -4.647 -0.039 9.389) 10.476 3.473 ( -7.589 -0.056 -3.510) 8.361 3.473 ( -7.589 -0.056 3.510) 8.361 3.780 ( -0.742 -0.109 -5.913) 5.960 3.780 ( -0.742 -0.109 5.913) 5.960 4.053 ( 5.288 0.072 -5.840) 7.879 4.053 ( 5.288 0.072 5.840) 7.879 4.697 ( -8.559 -0.313 -3.121) 9.116 4.697 ( -8.559 -0.313 3.121) 9.116 5.009 ( 2.723 -0.116 -4.332) 5.118 5.009 ( 2.723 -0.116 4.332) 5.118 5.223 ( 11.765 0.166 -5.594) 13.028 5.223 ( 11.765 0.166 5.594) 13.028 ======================= Grid point 673 (193/196) ======================= q-point: (-0.46 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -3.202 1.234 -10.605) 11.146 0.845 ( -3.202 1.234 10.605) 11.146 1.292 ( -7.946 0.768 -17.374) 19.121 1.292 ( -7.946 0.768 17.374) 19.121 1.929 ( -5.797 -0.162 -22.908) 23.630 1.929 ( -5.797 -0.162 22.908) 23.630 2.372 ( 2.105 -0.388 -4.623) 5.095 2.372 ( 2.105 -0.388 4.623) 5.095 2.857 ( 2.441 -0.654 -5.656) 6.194 2.857 ( 2.441 -0.654 5.656) 6.194 3.092 ( -3.892 -0.100 -10.053) 10.781 3.092 ( -3.892 -0.100 10.053) 10.781 3.347 ( -5.412 -0.392 -3.716) 6.577 3.347 ( -5.412 -0.392 3.716) 6.577 3.768 ( -0.496 -0.319 -6.149) 6.177 3.768 ( -0.496 -0.319 6.149) 6.177 4.128 ( 2.418 0.226 -4.816) 5.393 4.128 ( 2.418 0.226 4.816) 5.393 4.539 ( -6.888 -0.794 -1.307) 7.056 4.539 ( -6.888 -0.794 1.307) 7.056 5.072 ( 2.780 -0.489 -5.513) 6.193 5.072 ( 2.780 -0.489 5.513) 6.193 5.402 ( 6.973 1.274 -7.135) 10.058 5.402 ( 6.973 1.274 7.135) 10.058 ======================= Grid point 675 (194/196) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -0.000 2.159 -11.358) 11.562 0.804 ( -0.000 2.159 11.358) 11.562 1.199 ( -0.000 1.053 -17.768) 17.799 1.199 ( -0.000 1.053 17.768) 17.799 1.876 ( 0.000 -0.061 -25.507) 25.507 1.876 ( 0.000 -0.061 25.507) 25.507 2.397 ( 0.000 -0.640 -5.111) 5.150 2.397 ( 0.000 -0.640 5.111) 5.150 2.892 ( 0.000 -1.248 -4.800) 4.960 2.892 ( 0.000 -1.248 4.800) 4.960 3.051 ( 0.000 -0.001 -9.873) 9.873 3.051 ( 0.000 -0.001 9.873) 9.873 3.295 ( 0.000 -0.721 -3.896) 3.962 3.295 ( 0.000 -0.721 3.896) 3.962 3.766 ( 0.000 -0.526 -6.152) 6.174 3.766 ( 0.000 -0.526 6.152) 6.174 4.146 ( -0.000 0.304 -3.630) 3.643 4.146 ( -0.000 0.304 3.630) 3.643 4.476 ( 0.000 -0.903 -4.337) 4.430 4.476 ( 0.000 -0.903 4.337) 4.430 5.104 ( 0.000 -0.789 -5.468) 5.524 5.104 ( 0.000 -0.789 5.468) 5.524 5.459 ( -0.000 2.100 -7.824) 8.101 5.459 ( -0.000 2.100 7.824) 8.101 ======================= Grid point 697 (195/196) ======================= q-point: (-0.54 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -3.005 -0.000 -10.152) 10.588 0.852 ( -3.005 -0.000 10.152) 10.588 1.297 ( -7.951 -0.000 -17.264) 19.007 1.297 ( -7.951 -0.000 17.264) 19.007 1.928 ( -5.749 -0.000 -22.842) 23.555 1.928 ( -5.749 -0.000 22.842) 23.555 2.369 ( 2.066 0.000 -4.526) 4.976 2.369 ( 2.066 0.000 4.526) 4.976 2.853 ( 2.347 0.000 -5.578) 6.051 2.853 ( 2.347 0.000 5.578) 6.051 3.092 ( -3.857 -0.000 -10.071) 10.784 3.092 ( -3.857 -0.000 10.071) 10.784 3.345 ( -5.483 -0.000 -3.744) 6.640 3.345 ( -5.483 -0.000 3.744) 6.640 3.766 ( -0.530 -0.000 -6.133) 6.156 3.766 ( -0.530 -0.000 6.133) 6.156 4.130 ( 2.421 0.000 -4.791) 5.368 4.130 ( 2.421 0.000 4.791) 5.368 4.534 ( -6.818 -0.000 -1.435) 6.967 4.534 ( -6.818 -0.000 1.435) 6.967 5.069 ( 2.750 0.000 -5.719) 6.346 5.069 ( 2.750 0.000 5.719) 6.346 5.409 ( 7.118 0.000 -7.132) 10.076 5.409 ( 7.118 0.000 7.132) 10.076 ======================= Grid point 701 (196/196) ======================= q-point: (-0.46 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -0.000 0.834 -10.374) 10.408 0.822 ( -0.000 0.834 10.374) 10.408 1.207 ( -0.000 0.380 -17.550) 17.555 1.207 ( -0.000 0.380 17.550) 17.555 1.876 ( 0.000 -0.054 -25.346) 25.346 1.876 ( 0.000 -0.054 25.346) 25.346 2.392 ( 0.000 -0.244 -4.893) 4.899 2.392 ( 0.000 -0.244 4.893) 4.899 2.882 ( 0.000 -0.420 -4.570) 4.589 2.882 ( 0.000 -0.420 4.570) 4.589 3.051 ( 0.000 -0.001 -9.875) 9.875 3.051 ( 0.000 -0.001 9.875) 9.875 3.289 ( 0.000 -0.260 -3.891) 3.900 3.289 ( 0.000 -0.260 3.891) 3.900 3.761 ( 0.000 -0.202 -6.122) 6.125 3.761 ( 0.000 -0.202 6.122) 6.125 4.149 ( -0.000 0.108 -3.640) 3.642 4.149 ( -0.000 0.108 3.640) 3.642 4.469 ( 0.000 -0.301 -4.485) 4.495 4.469 ( 0.000 -0.301 4.485) 4.495 5.097 ( 0.000 -0.271 -5.850) 5.856 5.097 ( 0.000 -0.271 5.850) 5.856 5.476 ( -0.000 0.773 -7.761) 7.799 5.476 ( -0.000 0.773 7.761) 7.799 =================== 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 3/24336 10.0 88.514 15.385 108.219 0.000 0.000 -0.000 3/24336 20.0 62.924 5.906 59.570 0.000 0.000 -0.000 3/24336 30.0 40.010 3.467 35.851 0.000 0.000 -0.000 3/24336 40.0 27.136 2.392 23.977 0.000 0.000 -0.000 3/24336 50.0 20.044 1.819 17.653 0.000 0.000 -0.000 3/24336 60.0 15.820 1.472 13.926 0.000 0.000 -0.000 3/24336 70.0 13.078 1.240 11.516 0.000 0.000 -0.000 3/24336 80.0 11.168 1.074 9.837 0.000 0.000 -0.000 3/24336 90.0 9.762 0.949 8.601 0.000 0.000 -0.000 3/24336 100.0 8.682 0.851 7.651 0.000 0.000 -0.000 3/24336 110.0 7.825 0.772 6.897 0.000 0.000 -0.000 3/24336 120.0 7.128 0.707 6.283 0.000 0.000 -0.000 3/24336 130.0 6.548 0.652 5.772 0.000 0.000 -0.000 3/24336 140.0 6.058 0.605 5.340 0.000 0.000 -0.000 3/24336 150.0 5.638 0.565 4.970 0.000 0.000 -0.000 3/24336 160.0 5.273 0.529 4.649 0.000 0.000 -0.000 3/24336 170.0 4.954 0.498 4.368 0.000 0.000 -0.000 3/24336 180.0 4.672 0.470 4.119 0.000 0.000 -0.000 3/24336 190.0 4.421 0.446 3.897 0.000 0.000 -0.000 3/24336 200.0 4.195 0.423 3.699 0.000 0.000 -0.000 3/24336 210.0 3.992 0.403 3.520 0.000 0.000 -0.000 3/24336 220.0 3.808 0.385 3.357 0.000 0.000 -0.000 3/24336 230.0 3.641 0.368 3.209 0.000 0.000 -0.000 3/24336 240.0 3.487 0.353 3.074 0.000 0.000 -0.000 3/24336 250.0 3.346 0.339 2.950 0.000 0.000 -0.000 3/24336 260.0 3.217 0.326 2.835 0.000 0.000 -0.000 3/24336 270.0 3.096 0.314 2.730 0.000 0.000 -0.000 3/24336 280.0 2.985 0.303 2.631 0.000 0.000 -0.000 3/24336 290.0 2.882 0.292 2.540 0.000 0.000 -0.000 3/24336 300.0 2.785 0.283 2.455 0.000 0.000 -0.000 3/24336 310.0 2.695 0.274 2.375 0.000 0.000 -0.000 3/24336 320.0 2.610 0.265 2.301 0.000 0.000 -0.000 3/24336 330.0 2.531 0.257 2.231 0.000 0.000 -0.000 3/24336 340.0 2.456 0.249 2.165 0.000 0.000 -0.000 3/24336 350.0 2.386 0.242 2.103 0.000 0.000 -0.000 3/24336 360.0 2.319 0.236 2.044 0.000 0.000 -0.000 3/24336 370.0 2.256 0.229 1.989 0.000 0.000 -0.000 3/24336 380.0 2.197 0.223 1.936 0.000 0.000 -0.000 3/24336 390.0 2.141 0.218 1.887 0.000 0.000 -0.000 3/24336 400.0 2.087 0.212 1.839 0.000 0.000 -0.000 3/24336 410.0 2.036 0.207 1.794 0.000 0.000 -0.000 3/24336 420.0 1.987 0.202 1.752 0.000 0.000 -0.000 3/24336 430.0 1.941 0.197 1.711 0.000 0.000 -0.000 3/24336 440.0 1.897 0.193 1.672 0.000 0.000 -0.000 3/24336 450.0 1.855 0.189 1.635 0.000 0.000 -0.000 3/24336 460.0 1.815 0.185 1.599 0.000 0.000 -0.000 3/24336 470.0 1.776 0.181 1.565 0.000 0.000 -0.000 3/24336 480.0 1.739 0.177 1.532 0.000 0.000 -0.000 3/24336 490.0 1.703 0.173 1.501 0.000 0.000 -0.000 3/24336 500.0 1.669 0.170 1.471 0.000 0.000 -0.000 3/24336 510.0 1.637 0.166 1.442 0.000 0.000 -0.000 3/24336 520.0 1.605 0.163 1.415 0.000 0.000 -0.000 3/24336 530.0 1.575 0.160 1.388 0.000 0.000 -0.000 3/24336 540.0 1.546 0.157 1.362 0.000 0.000 -0.000 3/24336 550.0 1.518 0.154 1.337 0.000 0.000 -0.000 3/24336 560.0 1.491 0.152 1.314 0.000 0.000 -0.000 3/24336 570.0 1.464 0.149 1.290 0.000 0.000 -0.000 3/24336 580.0 1.439 0.146 1.268 0.000 0.000 -0.000 3/24336 590.0 1.415 0.144 1.247 0.000 0.000 -0.000 3/24336 600.0 1.391 0.142 1.226 0.000 0.000 -0.000 3/24336 610.0 1.368 0.139 1.206 0.000 0.000 -0.000 3/24336 620.0 1.346 0.137 1.186 0.000 0.000 -0.000 3/24336 630.0 1.325 0.135 1.168 0.000 0.000 -0.000 3/24336 640.0 1.304 0.133 1.149 0.000 0.000 -0.000 3/24336 650.0 1.284 0.131 1.132 0.000 0.000 -0.000 3/24336 660.0 1.265 0.129 1.115 0.000 0.000 -0.000 3/24336 670.0 1.246 0.127 1.098 0.000 0.000 -0.000 3/24336 680.0 1.228 0.125 1.082 0.000 0.000 -0.000 3/24336 690.0 1.210 0.123 1.066 0.000 0.000 -0.000 3/24336 700.0 1.193 0.121 1.051 0.000 0.000 -0.000 3/24336 710.0 1.176 0.120 1.036 0.000 0.000 -0.000 3/24336 720.0 1.160 0.118 1.022 0.000 0.000 -0.000 3/24336 730.0 1.144 0.116 1.008 0.000 0.000 -0.000 3/24336 740.0 1.128 0.115 0.994 0.000 0.000 -0.000 3/24336 750.0 1.113 0.113 0.981 0.000 0.000 -0.000 3/24336 760.0 1.099 0.112 0.968 0.000 0.000 -0.000 3/24336 770.0 1.084 0.110 0.955 0.000 0.000 -0.000 3/24336 780.0 1.070 0.109 0.943 0.000 0.000 -0.000 3/24336 790.0 1.057 0.108 0.931 0.000 0.000 -0.000 3/24336 800.0 1.044 0.106 0.920 0.000 0.000 -0.000 3/24336 810.0 1.031 0.105 0.908 0.000 0.000 -0.000 3/24336 820.0 1.018 0.104 0.897 0.000 0.000 -0.000 3/24336 830.0 1.006 0.102 0.886 0.000 0.000 -0.000 3/24336 840.0 0.994 0.101 0.876 0.000 0.000 -0.000 3/24336 850.0 0.982 0.100 0.866 0.000 0.000 -0.000 3/24336 860.0 0.971 0.099 0.856 0.000 0.000 -0.000 3/24336 870.0 0.960 0.098 0.846 0.000 0.000 -0.000 3/24336 880.0 0.949 0.097 0.836 0.000 0.000 -0.000 3/24336 890.0 0.938 0.095 0.827 0.000 0.000 -0.000 3/24336 900.0 0.928 0.094 0.818 0.000 0.000 -0.000 3/24336 910.0 0.918 0.093 0.809 0.000 0.000 -0.000 3/24336 920.0 0.908 0.092 0.800 0.000 0.000 -0.000 3/24336 930.0 0.898 0.091 0.791 0.000 0.000 -0.000 3/24336 940.0 0.888 0.090 0.783 0.000 0.000 -0.000 3/24336 950.0 0.879 0.089 0.775 0.000 0.000 -0.000 3/24336 960.0 0.870 0.089 0.766 0.000 0.000 -0.000 3/24336 970.0 0.861 0.088 0.759 0.000 0.000 -0.000 3/24336 980.0 0.852 0.087 0.751 0.000 0.000 -0.000 3/24336 990.0 0.844 0.086 0.743 0.000 0.000 -0.000 3/24336 1000.0 0.835 0.085 0.736 0.000 0.000 -0.000 3/24336 Thermal conductivity related properties were written into "kappa-m13136.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:41:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|