----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:39:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/m (10) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.915220690152530 0.000000000000000 0.000000000000000 b 0.000000000000000 4.060550160000000 0.000000000000000 c -2.186376638505291 0.000000000000000 6.750877988518504 Atomic positions (fractional): *1 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 *2 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 *3 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 *4 Se 0.75750319074869 0.50000000000000 0.76644553007611 78.960 *5 Se 0.74029147904393 0.00000000000000 0.24253125015341 78.960 6 Se 0.25970852095607 0.00000000000000 0.75746874984659 78.960 7 Se 0.24249680925131 0.50000000000000 0.23355446992390 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.915220690152530 0.000000000000000 0.000000000000000 b 0.000000000000000 4.060550160000000 0.000000000000000 c -2.186376638505291 0.000000000000000 6.750877988518504 Atomic positions (fractional): *1 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 1 *2 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 2 *3 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 > 3 *4 Se 0.75750319074869 0.50000000000000 0.76644553007611 78.960 > 4 *5 Se 0.74029147904393 0.00000000000000 0.24253125015341 78.960 > 5 6 Se 0.25970852095607 0.00000000000000 0.75746874984659 78.960 > 6 7 Se 0.24249680925131 0.50000000000000 0.23355446992390 78.960 > 7 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.830441380305061 0.000000000000000 0.000000000000000 b 0.000000000000000 16.242200640000000 0.000000000000000 c -4.372753277010582 0.000000000000000 13.501755977037009 Atomic positions (fractional): *1 Ca 0.00000000000000 0.12500000000000 0.25000000000000 40.078 > 1 2 Ca 0.50000000000000 0.12500000000000 0.25000000000000 40.078 > 1 3 Ca 0.00000000000000 0.37500000000000 0.25000000000000 40.078 > 1 4 Ca 0.50000000000000 0.37500000000000 0.25000000000000 40.078 > 1 5 Ca 0.00000000000000 0.62500000000000 0.25000000000000 40.078 > 1 6 Ca 0.50000000000000 0.62500000000000 0.25000000000000 40.078 > 1 7 Ca 0.00000000000000 0.87500000000000 0.25000000000000 40.078 > 1 8 Ca 0.50000000000000 0.87500000000000 0.25000000000000 40.078 > 1 9 Ca 0.00000000000000 0.12500000000000 0.75000000000000 40.078 > 1 10 Ca 0.50000000000000 0.12500000000000 0.75000000000000 40.078 > 1 11 Ca 0.00000000000000 0.37500000000000 0.75000000000000 40.078 > 1 12 Ca 0.50000000000000 0.37500000000000 0.75000000000000 40.078 > 1 13 Ca 0.00000000000000 0.62500000000000 0.75000000000000 40.078 > 1 14 Ca 0.50000000000000 0.62500000000000 0.75000000000000 40.078 > 1 15 Ca 0.00000000000000 0.87500000000000 0.75000000000000 40.078 > 1 16 Ca 0.50000000000000 0.87500000000000 0.75000000000000 40.078 > 1 *17 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 2 18 Ho 0.50000000000000 0.00000000000000 0.00000000000000 164.930 > 2 19 Ho 0.00000000000000 0.25000000000000 0.00000000000000 164.930 > 2 20 Ho 0.50000000000000 0.25000000000000 0.00000000000000 164.930 > 2 21 Ho 0.00000000000000 0.50000000000000 0.00000000000000 164.930 > 2 22 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 > 2 23 Ho 0.00000000000000 0.75000000000000 0.00000000000000 164.930 > 2 24 Ho 0.50000000000000 0.75000000000000 0.00000000000000 164.930 > 2 25 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 2 26 Ho 0.50000000000000 0.00000000000000 0.50000000000000 164.930 > 2 27 Ho 0.00000000000000 0.25000000000000 0.50000000000000 164.930 > 2 28 Ho 0.50000000000000 0.25000000000000 0.50000000000000 164.930 > 2 29 Ho 0.00000000000000 0.50000000000000 0.50000000000000 164.930 > 2 30 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 > 2 31 Ho 0.00000000000000 0.75000000000000 0.50000000000000 164.930 > 2 32 Ho 0.50000000000000 0.75000000000000 0.50000000000000 164.930 > 2 *33 Ho 0.25000000000000 0.12500000000000 0.00000000000000 164.930 > 3 34 Ho 0.75000000000000 0.12500000000000 0.00000000000000 164.930 > 3 35 Ho 0.25000000000000 0.37500000000000 0.00000000000000 164.930 > 3 36 Ho 0.75000000000000 0.37500000000000 0.00000000000000 164.930 > 3 37 Ho 0.25000000000000 0.62500000000000 0.00000000000000 164.930 > 3 38 Ho 0.75000000000000 0.62500000000000 0.00000000000000 164.930 > 3 39 Ho 0.25000000000000 0.87500000000000 0.00000000000000 164.930 > 3 40 Ho 0.75000000000000 0.87500000000000 0.00000000000000 164.930 > 3 41 Ho 0.25000000000000 0.12500000000000 0.50000000000000 164.930 > 3 42 Ho 0.75000000000000 0.12500000000000 0.50000000000000 164.930 > 3 43 Ho 0.25000000000000 0.37500000000000 0.50000000000000 164.930 > 3 44 Ho 0.75000000000000 0.37500000000000 0.50000000000000 164.930 > 3 45 Ho 0.25000000000000 0.62500000000000 0.50000000000000 164.930 > 3 46 Ho 0.75000000000000 0.62500000000000 0.50000000000000 164.930 > 3 47 Ho 0.25000000000000 0.87500000000000 0.50000000000000 164.930 > 3 48 Ho 0.75000000000000 0.87500000000000 0.50000000000000 164.930 > 3 *49 Se 0.37875159537435 0.12500000000000 0.38322276503805 78.960 > 4 50 Se 0.87875159537435 0.12500000000000 0.38322276503805 78.960 > 4 51 Se 0.37875159537435 0.37500000000000 0.38322276503805 78.960 > 4 52 Se 0.87875159537435 0.37500000000000 0.38322276503805 78.960 > 4 53 Se 0.37875159537435 0.62500000000000 0.38322276503805 78.960 > 4 54 Se 0.87875159537435 0.62500000000000 0.38322276503805 78.960 > 4 55 Se 0.37875159537435 0.87500000000000 0.38322276503805 78.960 > 4 56 Se 0.87875159537435 0.87500000000000 0.38322276503805 78.960 > 4 57 Se 0.37875159537435 0.12500000000000 0.88322276503805 78.960 > 4 58 Se 0.87875159537435 0.12500000000000 0.88322276503805 78.960 > 4 59 Se 0.37875159537435 0.37500000000000 0.88322276503805 78.960 > 4 60 Se 0.87875159537435 0.37500000000000 0.88322276503805 78.960 > 4 61 Se 0.37875159537435 0.62500000000000 0.88322276503805 78.960 > 4 62 Se 0.87875159537435 0.62500000000000 0.88322276503805 78.960 > 4 63 Se 0.37875159537435 0.87500000000000 0.88322276503805 78.960 > 4 64 Se 0.87875159537435 0.87500000000000 0.88322276503805 78.960 > 4 *65 Se 0.37014573952197 0.00000000000000 0.12126562507670 78.960 > 5 66 Se 0.87014573952196 0.00000000000000 0.12126562507670 78.960 > 5 67 Se 0.37014573952197 0.25000000000000 0.12126562507670 78.960 > 5 68 Se 0.87014573952196 0.25000000000000 0.12126562507670 78.960 > 5 69 Se 0.37014573952197 0.50000000000000 0.12126562507670 78.960 > 5 70 Se 0.87014573952196 0.50000000000000 0.12126562507670 78.960 > 5 71 Se 0.37014573952197 0.75000000000000 0.12126562507670 78.960 > 5 72 Se 0.87014573952196 0.75000000000000 0.12126562507670 78.960 > 5 73 Se 0.37014573952197 0.00000000000000 0.62126562507670 78.960 > 5 74 Se 0.87014573952196 0.00000000000000 0.62126562507670 78.960 > 5 75 Se 0.37014573952197 0.25000000000000 0.62126562507670 78.960 > 5 76 Se 0.87014573952196 0.25000000000000 0.62126562507670 78.960 > 5 77 Se 0.37014573952197 0.50000000000000 0.62126562507670 78.960 > 5 78 Se 0.87014573952196 0.50000000000000 0.62126562507670 78.960 > 5 79 Se 0.37014573952197 0.75000000000000 0.62126562507670 78.960 > 5 80 Se 0.87014573952196 0.75000000000000 0.62126562507670 78.960 > 5 81 Se 0.12985426047803 0.00000000000000 0.37873437492330 78.960 > 6 82 Se 0.62985426047804 0.00000000000000 0.37873437492330 78.960 > 6 83 Se 0.12985426047803 0.25000000000000 0.37873437492330 78.960 > 6 84 Se 0.62985426047804 0.25000000000000 0.37873437492330 78.960 > 6 85 Se 0.12985426047803 0.50000000000000 0.37873437492330 78.960 > 6 86 Se 0.62985426047804 0.50000000000000 0.37873437492330 78.960 > 6 87 Se 0.12985426047803 0.75000000000000 0.37873437492330 78.960 > 6 88 Se 0.62985426047804 0.75000000000000 0.37873437492330 78.960 > 6 89 Se 0.12985426047803 0.00000000000000 0.87873437492330 78.960 > 6 90 Se 0.62985426047804 0.00000000000000 0.87873437492330 78.960 > 6 91 Se 0.12985426047803 0.25000000000000 0.87873437492330 78.960 > 6 92 Se 0.62985426047804 0.25000000000000 0.87873437492330 78.960 > 6 93 Se 0.12985426047803 0.50000000000000 0.87873437492330 78.960 > 6 94 Se 0.62985426047804 0.50000000000000 0.87873437492330 78.960 > 6 95 Se 0.12985426047803 0.75000000000000 0.87873437492330 78.960 > 6 96 Se 0.62985426047804 0.75000000000000 0.87873437492330 78.960 > 6 97 Se 0.12124840462565 0.12500000000000 0.11677723496195 78.960 > 7 98 Se 0.62124840462565 0.12500000000000 0.11677723496195 78.960 > 7 99 Se 0.12124840462565 0.37500000000000 0.11677723496195 78.960 > 7 100 Se 0.62124840462565 0.37500000000000 0.11677723496195 78.960 > 7 101 Se 0.12124840462565 0.62500000000000 0.11677723496195 78.960 > 7 102 Se 0.62124840462565 0.62500000000000 0.11677723496195 78.960 > 7 103 Se 0.12124840462565 0.87500000000000 0.11677723496195 78.960 > 7 104 Se 0.62124840462565 0.87500000000000 0.11677723496195 78.960 > 7 105 Se 0.12124840462565 0.12500000000000 0.61677723496195 78.960 > 7 106 Se 0.62124840462565 0.12500000000000 0.61677723496195 78.960 > 7 107 Se 0.12124840462565 0.37500000000000 0.61677723496195 78.960 > 7 108 Se 0.62124840462565 0.37500000000000 0.61677723496195 78.960 > 7 109 Se 0.12124840462565 0.62500000000000 0.61677723496195 78.960 > 7 110 Se 0.62124840462565 0.62500000000000 0.61677723496195 78.960 > 7 111 Se 0.12124840462565 0.87500000000000 0.61677723496195 78.960 > 7 112 Se 0.62124840462565 0.87500000000000 0.61677723496195 78.960 > 7 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6235391 0.0000000 -0.0947156 0.0000000 7.9730114 0.0000000 -0.0947147 0.0000000 6.1019701 -------------------------- Born effective charges -------------------------- 1 Ca 2.2092572 0.0000000 -0.2006430 0.0000000 2.3793360 0.0000000 -0.1930570 0.0000000 3.7021904 2 Ho 3.6136005 0.0000000 0.0335574 0.0000000 4.6875220 0.0000000 -0.1426649 0.0000000 2.0390561 3 Ho 5.2822958 0.0000000 -0.0645716 0.0000000 4.4439122 0.0000000 0.0908030 0.0000000 2.4947590 4 Se -3.1575115 0.0000000 0.6827946 0.0000000 -2.6963317 0.0000000 0.6800646 0.0000000 -1.8715477 5 Se -2.3950653 0.0000000 -0.5669660 0.0000000 -3.0590534 0.0000000 -0.5576052 0.0000000 -2.2464550 6 Se -2.3950653 0.0000000 -0.5669660 0.0000000 -3.0590534 0.0000000 -0.5576052 0.0000000 -2.2464550 7 Se -3.1575115 0.0000000 0.6827946 0.0000000 -2.6963317 0.0000000 0.6800646 0.0000000 -1.8715477 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 3990/3990 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1066 Number of blocks in projector: 1066 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: 264 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 140 Use standard eigh solver. Tree of FC basis block matrices: - (1066, 1042), data: False |-- (140, 140), data: True |-- (140, 140), data: True |-- (174, 169), data: True |-- (174, 169), data: True |-- (174, 169), data: True |-- (264, 255), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 1.140 Solver_block: 200 / 240 - Time: 1.140 Solver_block: 240 / 240 - Time: 0.515 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.816 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 3990/3990 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1066 Number of blocks in projector: 1066 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: 264 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 140 Use standard eigh solver. Tree of FC basis block matrices: - (1066, 1042), data: False |-- (140, 140), data: True |-- (140, 140), data: True |-- (174, 169), data: True |-- (174, 169), data: True |-- (174, 169), data: True |-- (264, 255), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:39:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:39:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/m (10) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.915220690152530 0.000000000000000 0.000000000000000 b 0.000000000000000 4.060550160000000 0.000000000000000 c -2.186376638505291 0.000000000000000 6.750877988518504 Atomic positions (fractional): 1 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 2 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 3 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 4 Se 0.75750319074869 0.50000000000000 0.76644553007611 78.960 5 Se 0.74029147904393 0.00000000000000 0.24253125015341 78.960 6 Se 0.25970852095607 0.00000000000000 0.75746874984659 78.960 7 Se 0.24249680925131 0.50000000000000 0.23355446992390 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.830441380305061 0.000000000000000 0.000000000000000 b 0.000000000000000 16.242200640000000 0.000000000000000 c -4.372753277010582 0.000000000000000 13.501755977037009 Atomic positions (fractional): 1 Ca 0.00000000000000 0.12500000000000 0.25000000000000 40.078 > 1 2 Ca 0.50000000000000 0.12500000000000 0.25000000000000 40.078 > 1 3 Ca 0.00000000000000 0.37500000000000 0.25000000000000 40.078 > 1 4 Ca 0.50000000000000 0.37500000000000 0.25000000000000 40.078 > 1 5 Ca 0.00000000000000 0.62500000000000 0.25000000000000 40.078 > 1 6 Ca 0.50000000000000 0.62500000000000 0.25000000000000 40.078 > 1 7 Ca 0.00000000000000 0.87500000000000 0.25000000000000 40.078 > 1 8 Ca 0.50000000000000 0.87500000000000 0.25000000000000 40.078 > 1 9 Ca 0.00000000000000 0.12500000000000 0.75000000000000 40.078 > 1 10 Ca 0.50000000000000 0.12500000000000 0.75000000000000 40.078 > 1 11 Ca 0.00000000000000 0.37500000000000 0.75000000000000 40.078 > 1 12 Ca 0.50000000000000 0.37500000000000 0.75000000000000 40.078 > 1 13 Ca 0.00000000000000 0.62500000000000 0.75000000000000 40.078 > 1 14 Ca 0.50000000000000 0.62500000000000 0.75000000000000 40.078 > 1 15 Ca 0.00000000000000 0.87500000000000 0.75000000000000 40.078 > 1 16 Ca 0.50000000000000 0.87500000000000 0.75000000000000 40.078 > 1 17 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 17 18 Ho 0.50000000000000 0.00000000000000 0.00000000000000 164.930 > 17 19 Ho 0.00000000000000 0.25000000000000 0.00000000000000 164.930 > 17 20 Ho 0.50000000000000 0.25000000000000 0.00000000000000 164.930 > 17 21 Ho 0.00000000000000 0.50000000000000 0.00000000000000 164.930 > 17 22 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 > 17 23 Ho 0.00000000000000 0.75000000000000 0.00000000000000 164.930 > 17 24 Ho 0.50000000000000 0.75000000000000 0.00000000000000 164.930 > 17 25 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 17 26 Ho 0.50000000000000 0.00000000000000 0.50000000000000 164.930 > 17 27 Ho 0.00000000000000 0.25000000000000 0.50000000000000 164.930 > 17 28 Ho 0.50000000000000 0.25000000000000 0.50000000000000 164.930 > 17 29 Ho 0.00000000000000 0.50000000000000 0.50000000000000 164.930 > 17 30 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 > 17 31 Ho 0.00000000000000 0.75000000000000 0.50000000000000 164.930 > 17 32 Ho 0.50000000000000 0.75000000000000 0.50000000000000 164.930 > 17 33 Ho 0.25000000000000 0.12500000000000 0.00000000000000 164.930 > 33 34 Ho 0.75000000000000 0.12500000000000 0.00000000000000 164.930 > 33 35 Ho 0.25000000000000 0.37500000000000 0.00000000000000 164.930 > 33 36 Ho 0.75000000000000 0.37500000000000 0.00000000000000 164.930 > 33 37 Ho 0.25000000000000 0.62500000000000 0.00000000000000 164.930 > 33 38 Ho 0.75000000000000 0.62500000000000 0.00000000000000 164.930 > 33 39 Ho 0.25000000000000 0.87500000000000 0.00000000000000 164.930 > 33 40 Ho 0.75000000000000 0.87500000000000 0.00000000000000 164.930 > 33 41 Ho 0.25000000000000 0.12500000000000 0.50000000000000 164.930 > 33 42 Ho 0.75000000000000 0.12500000000000 0.50000000000000 164.930 > 33 43 Ho 0.25000000000000 0.37500000000000 0.50000000000000 164.930 > 33 44 Ho 0.75000000000000 0.37500000000000 0.50000000000000 164.930 > 33 45 Ho 0.25000000000000 0.62500000000000 0.50000000000000 164.930 > 33 46 Ho 0.75000000000000 0.62500000000000 0.50000000000000 164.930 > 33 47 Ho 0.25000000000000 0.87500000000000 0.50000000000000 164.930 > 33 48 Ho 0.75000000000000 0.87500000000000 0.50000000000000 164.930 > 33 49 Se 0.37875159537435 0.12500000000000 0.38322276503805 78.960 > 49 50 Se 0.87875159537435 0.12500000000000 0.38322276503805 78.960 > 49 51 Se 0.37875159537435 0.37500000000000 0.38322276503805 78.960 > 49 52 Se 0.87875159537435 0.37500000000000 0.38322276503805 78.960 > 49 53 Se 0.37875159537435 0.62500000000000 0.38322276503805 78.960 > 49 54 Se 0.87875159537435 0.62500000000000 0.38322276503805 78.960 > 49 55 Se 0.37875159537435 0.87500000000000 0.38322276503805 78.960 > 49 56 Se 0.87875159537435 0.87500000000000 0.38322276503805 78.960 > 49 57 Se 0.37875159537435 0.12500000000000 0.88322276503805 78.960 > 49 58 Se 0.87875159537435 0.12500000000000 0.88322276503805 78.960 > 49 59 Se 0.37875159537435 0.37500000000000 0.88322276503805 78.960 > 49 60 Se 0.87875159537435 0.37500000000000 0.88322276503805 78.960 > 49 61 Se 0.37875159537435 0.62500000000000 0.88322276503805 78.960 > 49 62 Se 0.87875159537435 0.62500000000000 0.88322276503805 78.960 > 49 63 Se 0.37875159537435 0.87500000000000 0.88322276503805 78.960 > 49 64 Se 0.87875159537435 0.87500000000000 0.88322276503805 78.960 > 49 65 Se 0.37014573952197 0.00000000000000 0.12126562507670 78.960 > 65 66 Se 0.87014573952196 0.00000000000000 0.12126562507670 78.960 > 65 67 Se 0.37014573952197 0.25000000000000 0.12126562507670 78.960 > 65 68 Se 0.87014573952196 0.25000000000000 0.12126562507670 78.960 > 65 69 Se 0.37014573952197 0.50000000000000 0.12126562507670 78.960 > 65 70 Se 0.87014573952196 0.50000000000000 0.12126562507670 78.960 > 65 71 Se 0.37014573952197 0.75000000000000 0.12126562507670 78.960 > 65 72 Se 0.87014573952196 0.75000000000000 0.12126562507670 78.960 > 65 73 Se 0.37014573952197 0.00000000000000 0.62126562507670 78.960 > 65 74 Se 0.87014573952196 0.00000000000000 0.62126562507670 78.960 > 65 75 Se 0.37014573952197 0.25000000000000 0.62126562507670 78.960 > 65 76 Se 0.87014573952196 0.25000000000000 0.62126562507670 78.960 > 65 77 Se 0.37014573952197 0.50000000000000 0.62126562507670 78.960 > 65 78 Se 0.87014573952196 0.50000000000000 0.62126562507670 78.960 > 65 79 Se 0.37014573952197 0.75000000000000 0.62126562507670 78.960 > 65 80 Se 0.87014573952196 0.75000000000000 0.62126562507670 78.960 > 65 81 Se 0.12985426047803 0.00000000000000 0.37873437492330 78.960 > 81 82 Se 0.62985426047804 0.00000000000000 0.37873437492330 78.960 > 81 83 Se 0.12985426047803 0.25000000000000 0.37873437492330 78.960 > 81 84 Se 0.62985426047804 0.25000000000000 0.37873437492330 78.960 > 81 85 Se 0.12985426047803 0.50000000000000 0.37873437492330 78.960 > 81 86 Se 0.62985426047804 0.50000000000000 0.37873437492330 78.960 > 81 87 Se 0.12985426047803 0.75000000000000 0.37873437492330 78.960 > 81 88 Se 0.62985426047804 0.75000000000000 0.37873437492330 78.960 > 81 89 Se 0.12985426047803 0.00000000000000 0.87873437492330 78.960 > 81 90 Se 0.62985426047804 0.00000000000000 0.87873437492330 78.960 > 81 91 Se 0.12985426047803 0.25000000000000 0.87873437492330 78.960 > 81 92 Se 0.62985426047804 0.25000000000000 0.87873437492330 78.960 > 81 93 Se 0.12985426047803 0.50000000000000 0.87873437492330 78.960 > 81 94 Se 0.62985426047804 0.50000000000000 0.87873437492330 78.960 > 81 95 Se 0.12985426047803 0.75000000000000 0.87873437492330 78.960 > 81 96 Se 0.62985426047804 0.75000000000000 0.87873437492330 78.960 > 81 97 Se 0.12124840462565 0.12500000000000 0.11677723496195 78.960 > 97 98 Se 0.62124840462565 0.12500000000000 0.11677723496195 78.960 > 97 99 Se 0.12124840462565 0.37500000000000 0.11677723496195 78.960 > 97 100 Se 0.62124840462565 0.37500000000000 0.11677723496195 78.960 > 97 101 Se 0.12124840462565 0.62500000000000 0.11677723496195 78.960 > 97 102 Se 0.62124840462565 0.62500000000000 0.11677723496195 78.960 > 97 103 Se 0.12124840462565 0.87500000000000 0.11677723496195 78.960 > 97 104 Se 0.62124840462565 0.87500000000000 0.11677723496195 78.960 > 97 105 Se 0.12124840462565 0.12500000000000 0.61677723496195 78.960 > 97 106 Se 0.62124840462565 0.12500000000000 0.61677723496195 78.960 > 97 107 Se 0.12124840462565 0.37500000000000 0.61677723496195 78.960 > 97 108 Se 0.62124840462565 0.37500000000000 0.61677723496195 78.960 > 97 109 Se 0.12124840462565 0.62500000000000 0.61677723496195 78.960 > 97 110 Se 0.62124840462565 0.62500000000000 0.61677723496195 78.960 > 97 111 Se 0.12124840462565 0.87500000000000 0.61677723496195 78.960 > 97 112 Se 0.62124840462565 0.87500000000000 0.61677723496195 78.960 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6235391 0.0000000 -0.0947156 0.0000000 7.9730114 0.0000000 -0.0947147 0.0000000 6.1019701 -------------------------- Born effective charges -------------------------- 1 Ca 2.2092572 0.0000000 -0.2006430 0.0000000 2.3793360 0.0000000 -0.1930570 0.0000000 3.7021904 2 Ho 3.6136005 0.0000000 0.0335574 0.0000000 4.6875220 0.0000000 -0.1426649 0.0000000 2.0390561 3 Ho 5.2822958 0.0000000 -0.0645716 0.0000000 4.4439122 0.0000000 0.0908030 0.0000000 2.4947590 4 Se -3.1575115 0.0000000 0.6827946 0.0000000 -2.6963317 0.0000000 0.6800646 0.0000000 -1.8715477 5 Se -2.3950653 0.0000000 -0.5669660 0.0000000 -3.0590534 0.0000000 -0.5576052 0.0000000 -2.2464550 6 Se -2.3950653 0.0000000 -0.5669660 0.0000000 -3.0590534 0.0000000 -0.5576052 0.0000000 -2.2464550 7 Se -3.1575115 0.0000000 0.6827946 0.0000000 -2.6963317 0.0000000 0.6800646 0.0000000 -1.8715477 ---------------------------------------------------------------------------- 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 49, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000008 (zx) -0.00000008 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:40:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:40:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/m (10) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.915220690152530 0.000000000000000 0.000000000000000 b 0.000000000000000 4.060550160000000 0.000000000000000 c -2.186376638505291 0.000000000000000 6.750877988518504 Atomic positions (fractional): 1 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 2 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 3 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 4 Se 0.75750319074869 0.50000000000000 0.76644553007611 78.960 5 Se 0.74029147904393 0.00000000000000 0.24253125015341 78.960 6 Se 0.25970852095607 0.00000000000000 0.75746874984659 78.960 7 Se 0.24249680925131 0.50000000000000 0.23355446992390 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.830441380305061 0.000000000000000 0.000000000000000 b 0.000000000000000 16.242200640000000 0.000000000000000 c -4.372753277010582 0.000000000000000 13.501755977037009 Atomic positions (fractional): 1 Ca 0.00000000000000 0.12500000000000 0.25000000000000 40.078 > 1 2 Ca 0.50000000000000 0.12500000000000 0.25000000000000 40.078 > 1 3 Ca 0.00000000000000 0.37500000000000 0.25000000000000 40.078 > 1 4 Ca 0.50000000000000 0.37500000000000 0.25000000000000 40.078 > 1 5 Ca 0.00000000000000 0.62500000000000 0.25000000000000 40.078 > 1 6 Ca 0.50000000000000 0.62500000000000 0.25000000000000 40.078 > 1 7 Ca 0.00000000000000 0.87500000000000 0.25000000000000 40.078 > 1 8 Ca 0.50000000000000 0.87500000000000 0.25000000000000 40.078 > 1 9 Ca 0.00000000000000 0.12500000000000 0.75000000000000 40.078 > 1 10 Ca 0.50000000000000 0.12500000000000 0.75000000000000 40.078 > 1 11 Ca 0.00000000000000 0.37500000000000 0.75000000000000 40.078 > 1 12 Ca 0.50000000000000 0.37500000000000 0.75000000000000 40.078 > 1 13 Ca 0.00000000000000 0.62500000000000 0.75000000000000 40.078 > 1 14 Ca 0.50000000000000 0.62500000000000 0.75000000000000 40.078 > 1 15 Ca 0.00000000000000 0.87500000000000 0.75000000000000 40.078 > 1 16 Ca 0.50000000000000 0.87500000000000 0.75000000000000 40.078 > 1 17 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 17 18 Ho 0.50000000000000 0.00000000000000 0.00000000000000 164.930 > 17 19 Ho 0.00000000000000 0.25000000000000 0.00000000000000 164.930 > 17 20 Ho 0.50000000000000 0.25000000000000 0.00000000000000 164.930 > 17 21 Ho 0.00000000000000 0.50000000000000 0.00000000000000 164.930 > 17 22 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 > 17 23 Ho 0.00000000000000 0.75000000000000 0.00000000000000 164.930 > 17 24 Ho 0.50000000000000 0.75000000000000 0.00000000000000 164.930 > 17 25 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 17 26 Ho 0.50000000000000 0.00000000000000 0.50000000000000 164.930 > 17 27 Ho 0.00000000000000 0.25000000000000 0.50000000000000 164.930 > 17 28 Ho 0.50000000000000 0.25000000000000 0.50000000000000 164.930 > 17 29 Ho 0.00000000000000 0.50000000000000 0.50000000000000 164.930 > 17 30 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 > 17 31 Ho 0.00000000000000 0.75000000000000 0.50000000000000 164.930 > 17 32 Ho 0.50000000000000 0.75000000000000 0.50000000000000 164.930 > 17 33 Ho 0.25000000000000 0.12500000000000 0.00000000000000 164.930 > 33 34 Ho 0.75000000000000 0.12500000000000 0.00000000000000 164.930 > 33 35 Ho 0.25000000000000 0.37500000000000 0.00000000000000 164.930 > 33 36 Ho 0.75000000000000 0.37500000000000 0.00000000000000 164.930 > 33 37 Ho 0.25000000000000 0.62500000000000 0.00000000000000 164.930 > 33 38 Ho 0.75000000000000 0.62500000000000 0.00000000000000 164.930 > 33 39 Ho 0.25000000000000 0.87500000000000 0.00000000000000 164.930 > 33 40 Ho 0.75000000000000 0.87500000000000 0.00000000000000 164.930 > 33 41 Ho 0.25000000000000 0.12500000000000 0.50000000000000 164.930 > 33 42 Ho 0.75000000000000 0.12500000000000 0.50000000000000 164.930 > 33 43 Ho 0.25000000000000 0.37500000000000 0.50000000000000 164.930 > 33 44 Ho 0.75000000000000 0.37500000000000 0.50000000000000 164.930 > 33 45 Ho 0.25000000000000 0.62500000000000 0.50000000000000 164.930 > 33 46 Ho 0.75000000000000 0.62500000000000 0.50000000000000 164.930 > 33 47 Ho 0.25000000000000 0.87500000000000 0.50000000000000 164.930 > 33 48 Ho 0.75000000000000 0.87500000000000 0.50000000000000 164.930 > 33 49 Se 0.37875159537435 0.12500000000000 0.38322276503805 78.960 > 49 50 Se 0.87875159537435 0.12500000000000 0.38322276503805 78.960 > 49 51 Se 0.37875159537435 0.37500000000000 0.38322276503805 78.960 > 49 52 Se 0.87875159537435 0.37500000000000 0.38322276503805 78.960 > 49 53 Se 0.37875159537435 0.62500000000000 0.38322276503805 78.960 > 49 54 Se 0.87875159537435 0.62500000000000 0.38322276503805 78.960 > 49 55 Se 0.37875159537435 0.87500000000000 0.38322276503805 78.960 > 49 56 Se 0.87875159537435 0.87500000000000 0.38322276503805 78.960 > 49 57 Se 0.37875159537435 0.12500000000000 0.88322276503805 78.960 > 49 58 Se 0.87875159537435 0.12500000000000 0.88322276503805 78.960 > 49 59 Se 0.37875159537435 0.37500000000000 0.88322276503805 78.960 > 49 60 Se 0.87875159537435 0.37500000000000 0.88322276503805 78.960 > 49 61 Se 0.37875159537435 0.62500000000000 0.88322276503805 78.960 > 49 62 Se 0.87875159537435 0.62500000000000 0.88322276503805 78.960 > 49 63 Se 0.37875159537435 0.87500000000000 0.88322276503805 78.960 > 49 64 Se 0.87875159537435 0.87500000000000 0.88322276503805 78.960 > 49 65 Se 0.37014573952197 0.00000000000000 0.12126562507670 78.960 > 65 66 Se 0.87014573952196 0.00000000000000 0.12126562507670 78.960 > 65 67 Se 0.37014573952197 0.25000000000000 0.12126562507670 78.960 > 65 68 Se 0.87014573952196 0.25000000000000 0.12126562507670 78.960 > 65 69 Se 0.37014573952197 0.50000000000000 0.12126562507670 78.960 > 65 70 Se 0.87014573952196 0.50000000000000 0.12126562507670 78.960 > 65 71 Se 0.37014573952197 0.75000000000000 0.12126562507670 78.960 > 65 72 Se 0.87014573952196 0.75000000000000 0.12126562507670 78.960 > 65 73 Se 0.37014573952197 0.00000000000000 0.62126562507670 78.960 > 65 74 Se 0.87014573952196 0.00000000000000 0.62126562507670 78.960 > 65 75 Se 0.37014573952197 0.25000000000000 0.62126562507670 78.960 > 65 76 Se 0.87014573952196 0.25000000000000 0.62126562507670 78.960 > 65 77 Se 0.37014573952197 0.50000000000000 0.62126562507670 78.960 > 65 78 Se 0.87014573952196 0.50000000000000 0.62126562507670 78.960 > 65 79 Se 0.37014573952197 0.75000000000000 0.62126562507670 78.960 > 65 80 Se 0.87014573952196 0.75000000000000 0.62126562507670 78.960 > 65 81 Se 0.12985426047803 0.00000000000000 0.37873437492330 78.960 > 81 82 Se 0.62985426047804 0.00000000000000 0.37873437492330 78.960 > 81 83 Se 0.12985426047803 0.25000000000000 0.37873437492330 78.960 > 81 84 Se 0.62985426047804 0.25000000000000 0.37873437492330 78.960 > 81 85 Se 0.12985426047803 0.50000000000000 0.37873437492330 78.960 > 81 86 Se 0.62985426047804 0.50000000000000 0.37873437492330 78.960 > 81 87 Se 0.12985426047803 0.75000000000000 0.37873437492330 78.960 > 81 88 Se 0.62985426047804 0.75000000000000 0.37873437492330 78.960 > 81 89 Se 0.12985426047803 0.00000000000000 0.87873437492330 78.960 > 81 90 Se 0.62985426047804 0.00000000000000 0.87873437492330 78.960 > 81 91 Se 0.12985426047803 0.25000000000000 0.87873437492330 78.960 > 81 92 Se 0.62985426047804 0.25000000000000 0.87873437492330 78.960 > 81 93 Se 0.12985426047803 0.50000000000000 0.87873437492330 78.960 > 81 94 Se 0.62985426047804 0.50000000000000 0.87873437492330 78.960 > 81 95 Se 0.12985426047803 0.75000000000000 0.87873437492330 78.960 > 81 96 Se 0.62985426047804 0.75000000000000 0.87873437492330 78.960 > 81 97 Se 0.12124840462565 0.12500000000000 0.11677723496195 78.960 > 97 98 Se 0.62124840462565 0.12500000000000 0.11677723496195 78.960 > 97 99 Se 0.12124840462565 0.37500000000000 0.11677723496195 78.960 > 97 100 Se 0.62124840462565 0.37500000000000 0.11677723496195 78.960 > 97 101 Se 0.12124840462565 0.62500000000000 0.11677723496195 78.960 > 97 102 Se 0.62124840462565 0.62500000000000 0.11677723496195 78.960 > 97 103 Se 0.12124840462565 0.87500000000000 0.11677723496195 78.960 > 97 104 Se 0.62124840462565 0.87500000000000 0.11677723496195 78.960 > 97 105 Se 0.12124840462565 0.12500000000000 0.61677723496195 78.960 > 97 106 Se 0.62124840462565 0.12500000000000 0.61677723496195 78.960 > 97 107 Se 0.12124840462565 0.37500000000000 0.61677723496195 78.960 > 97 108 Se 0.62124840462565 0.37500000000000 0.61677723496195 78.960 > 97 109 Se 0.12124840462565 0.62500000000000 0.61677723496195 78.960 > 97 110 Se 0.62124840462565 0.62500000000000 0.61677723496195 78.960 > 97 111 Se 0.12124840462565 0.87500000000000 0.61677723496195 78.960 > 97 112 Se 0.62124840462565 0.87500000000000 0.61677723496195 78.960 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.6235391 0.0000000 -0.0947156 0.0000000 7.9730114 0.0000000 -0.0947147 0.0000000 6.1019701 -------------------------- Born effective charges -------------------------- 1 Ca 2.2092572 0.0000000 -0.2006430 0.0000000 2.3793360 0.0000000 -0.1930570 0.0000000 3.7021904 2 Ho 3.6136005 0.0000000 0.0335574 0.0000000 4.6875220 0.0000000 -0.1426649 0.0000000 2.0390561 3 Ho 5.2822958 0.0000000 -0.0645716 0.0000000 4.4439122 0.0000000 0.0908030 0.0000000 2.4947590 4 Se -3.1575115 0.0000000 0.6827946 0.0000000 -2.6963317 0.0000000 0.6800646 0.0000000 -1.8715477 5 Se -2.3950653 0.0000000 -0.5669660 0.0000000 -3.0590534 0.0000000 -0.5576052 0.0000000 -2.2464550 6 Se -2.3950653 0.0000000 -0.5669660 0.0000000 -3.0590534 0.0000000 -0.5576052 0.0000000 -2.2464550 7 Se -3.1575115 0.0000000 0.6827946 0.0000000 -2.6963317 0.0000000 0.6800646 0.0000000 -1.8715477 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 12 7 ] 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: 0.72, Number of G-points: 289, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/203) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 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 1.713 ( 0.000 0.000 0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.525 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 3.807 ( 0.000 0.000 0.000) 0.000 4.142 ( 0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 4.330 ( 0.000 0.000 0.000) 0.000 4.658 ( 0.000 0.000 0.000) 0.000 4.753 ( 0.000 0.000 0.000) 0.000 5.075 ( 0.000 0.000 0.000) 0.000 5.325 ( 0.000 0.000 0.000) 0.000 5.518 ( 0.000 0.000 0.000) 0.000 5.876 ( 0.000 0.000 0.000) 0.000 6.327 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/203) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 21.533 0.000 6.146) 22.393 0.470 ( 22.114 0.000 9.999) 24.269 0.698 ( 39.237 0.000 -4.389) 39.481 1.754 ( 1.731 0.000 8.179) 8.360 2.026 ( -2.042 0.000 1.697) 2.655 2.766 ( 0.669 0.000 -2.214) 2.313 3.225 ( -0.902 0.000 -1.973) 2.170 3.651 ( 0.421 0.000 -0.316) 0.526 3.728 ( 0.570 0.000 0.222) 0.612 3.833 ( 3.066 0.000 -0.652) 3.134 4.090 ( -3.058 0.000 8.049) 8.610 4.207 ( -0.849 0.000 -2.070) 2.237 4.290 ( 5.148 0.000 -27.248) 27.730 4.355 ( 2.751 0.000 -3.195) 4.216 4.637 ( -2.072 0.000 -0.722) 2.194 4.965 ( -16.652 0.000 24.834) 29.900 5.092 ( 1.197 0.000 1.727) 2.101 5.272 ( -7.190 0.000 4.789) 8.639 5.659 ( 10.376 0.000 -1.283) 10.455 6.281 ( -0.621 0.000 -6.455) 6.485 6.992 ( 1.958 0.000 -2.559) 3.222 ======================= Grid point 2 (3/203) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 16.086 0.000 1.491) 16.155 0.904 ( 19.671 0.000 8.020) 21.243 1.345 ( 34.775 0.000 -5.961) 35.282 1.871 ( 3.510 0.000 14.821) 15.231 1.981 ( -4.413 0.000 2.558) 5.101 2.773 ( 1.914 0.000 -1.890) 2.690 3.185 ( -1.665 0.000 -3.309) 3.704 3.666 ( 1.389 0.000 -0.297) 1.420 3.740 ( 0.452 0.000 0.379) 0.590 3.901 ( 3.760 0.000 1.142) 3.930 4.067 ( -4.753 0.000 6.435) 8.000 4.154 ( -6.753 0.000 -15.224) 16.654 4.173 ( -1.228 0.000 -2.721) 2.985 4.404 ( 4.319 0.000 -1.450) 4.556 4.590 ( -1.589 0.000 -0.970) 1.862 4.818 ( -7.153 0.000 2.582) 7.605 5.131 ( 1.576 0.000 2.224) 2.726 5.178 ( -7.702 0.000 7.426) 10.699 5.821 ( 7.105 0.000 1.523) 7.267 6.216 ( -3.497 0.000 -1.820) 3.942 7.017 ( 1.133 0.000 1.157) 1.619 ======================= Grid point 3 (4/203) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 8.225 0.000 -1.072) 8.294 1.258 ( 14.596 0.000 4.725) 15.341 1.836 ( 21.520 0.000 -4.861) 22.062 1.895 ( -6.244 0.000 1.810) 6.501 2.026 ( 3.836 0.000 10.973) 11.624 2.841 ( 6.182 0.000 2.564) 6.692 3.137 ( -1.390 0.000 -2.710) 3.046 3.693 ( 1.593 0.000 -0.270) 1.616 3.747 ( -0.006 0.000 0.477) 0.477 3.826 ( -16.884 0.000 -5.438) 17.738 3.961 ( 0.968 0.000 1.534) 1.813 4.069 ( 0.465 0.000 -1.666) 1.730 4.138 ( -0.945 0.000 -1.842) 2.070 4.488 ( 5.174 0.000 -0.232) 5.179 4.583 ( 1.215 0.000 -2.111) 2.435 4.736 ( -3.155 0.000 0.122) 3.157 5.077 ( -6.896 0.000 4.631) 8.307 5.167 ( 1.048 0.000 1.449) 1.789 5.930 ( 3.556 0.000 2.683) 4.455 6.146 ( -2.862 0.000 -1.665) 3.311 7.041 ( 0.588 0.000 1.289) 1.416 ======================= Grid point 4 (5/203) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 0.000 0.000 0.000) 0.000 1.428 ( 0.000 0.000 0.000) 0.000 1.822 ( 0.000 0.000 0.000) 0.000 2.033 ( -0.000 0.000 -0.000) 0.000 2.083 ( 0.000 0.000 -0.000) 0.000 2.957 ( -0.000 0.000 -0.000) 0.000 3.114 ( 0.000 0.000 -0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.709 ( -0.000 0.000 0.000) 0.000 3.747 ( 0.000 0.000 -0.000) 0.000 3.970 ( 0.000 0.000 0.000) 0.000 4.074 ( -0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.567 ( -0.000 0.000 -0.000) 0.000 4.569 ( 0.000 0.000 0.000) 0.000 4.707 ( -0.000 0.000 0.000) 0.000 5.018 ( -0.000 0.000 0.000) 0.000 5.181 ( 0.000 0.000 0.000) 0.000 5.974 ( 0.000 0.000 -0.000) 0.000 6.110 ( 0.000 0.000 0.000) 0.000 7.050 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/203) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 0.000 19.321 0.000) 19.321 0.523 ( 0.000 24.470 0.000) 24.470 0.845 ( 0.000 39.178 0.000) 39.178 1.755 ( 0.000 4.116 0.000) 4.116 2.205 ( 0.000 12.575 0.000) 12.575 2.732 ( 0.000 -0.591 0.000) 0.591 3.389 ( 0.000 6.140 0.000) 6.140 3.535 ( 0.000 0.918 0.000) 0.918 3.747 ( 0.000 2.381 0.000) 2.381 3.790 ( 0.000 -1.332 0.000) 1.332 4.135 ( 0.000 -0.683 0.000) 0.683 4.237 ( 0.000 1.341 0.000) 1.341 4.321 ( 0.000 4.228 0.000) 4.228 4.378 ( 0.000 5.502 0.000) 5.502 4.648 ( 0.000 -0.721 0.000) 0.721 4.750 ( 0.000 -0.415 0.000) 0.415 5.294 ( 0.000 -3.089 0.000) 3.089 5.498 ( 0.000 -1.891 0.000) 1.891 5.822 ( 0.000 -4.967 0.000) 4.967 6.263 ( 0.000 -5.889 0.000) 5.889 6.643 ( 0.000 0.075 0.000) 0.075 ======================= Grid point 10 (7/203) ======================= q-point: ( 0.12 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 10.931 16.144 -2.020) 19.601 0.690 ( 23.103 12.816 -5.210) 26.928 1.081 ( 19.587 28.580 4.493) 34.938 1.786 ( 1.036 3.530 6.933) 7.849 2.183 ( -2.557 12.993 1.599) 13.339 2.742 ( 1.227 -1.208 -1.495) 2.281 3.329 ( -2.825 8.143 -1.990) 8.846 3.560 ( 1.393 -2.774 0.909) 3.234 3.744 ( -0.226 2.098 -0.117) 2.114 3.871 ( 6.502 -2.224 -2.953) 7.479 4.114 ( -4.654 1.866 5.879) 7.727 4.168 ( -0.697 3.846 -5.767) 6.967 4.344 ( 2.736 1.799 -4.978) 5.959 4.446 ( 3.086 5.661 0.639) 6.479 4.628 ( -2.230 -0.442 -0.308) 2.294 4.800 ( -0.036 -4.126 8.919) 9.827 5.238 ( -7.533 -3.337 4.821) 9.546 5.358 ( -12.215 5.979 -0.930) 13.632 5.745 ( 1.388 4.249 1.221) 4.633 6.228 ( -1.491 -4.940 -3.927) 6.485 6.785 ( 8.117 -11.431 -2.238) 14.197 ======================= Grid point 11 (8/203) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 15.689 4.904 0.833) 16.459 1.064 ( 18.505 9.808 -0.016) 20.944 1.501 ( 24.561 13.673 -3.397) 28.315 1.863 ( 1.181 1.796 10.530) 10.748 2.135 ( -3.869 11.488 2.309) 12.340 2.761 ( 2.104 -0.813 -1.264) 2.586 3.284 ( -0.961 9.261 -1.572) 9.442 3.597 ( 1.964 -4.228 1.450) 4.883 3.739 ( -0.172 1.660 -0.201) 1.681 3.932 ( 1.640 -4.148 -5.146) 6.810 4.050 ( -5.932 3.818 7.190) 10.073 4.147 ( 0.935 6.034 -3.499) 7.038 4.356 ( 0.972 5.271 -7.664) 9.352 4.472 ( -0.327 7.606 3.476) 8.369 4.571 ( -2.528 -1.270 -0.789) 2.937 4.787 ( -4.004 -2.257 2.153) 5.076 5.125 ( -6.703 -3.289 5.924) 9.531 5.224 ( -3.759 5.404 1.126) 6.679 5.827 ( 5.013 0.038 0.818) 5.079 6.169 ( -3.233 -4.258 -0.947) 5.430 6.869 ( 3.185 -12.415 -1.326) 12.885 ======================= Grid point 12 (9/203) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 9.658 2.647 -0.804) 10.047 1.364 ( 13.918 8.419 3.421) 16.622 1.847 ( 13.109 1.572 -4.549) 13.965 1.900 ( -3.705 0.812 7.035) 7.992 2.105 ( 1.683 7.310 -0.161) 7.503 2.815 ( 4.122 -1.501 -0.178) 4.390 3.291 ( 1.734 13.164 3.445) 13.717 3.630 ( -0.408 -4.553 0.553) 4.605 3.735 ( -0.132 1.348 -0.121) 1.360 3.833 ( -7.733 -0.153 -3.881) 8.654 4.002 ( -2.873 2.231 2.239) 4.271 4.160 ( 1.969 8.634 -1.979) 9.074 4.276 ( -3.492 9.905 -2.980) 10.918 4.522 ( 2.631 2.864 2.341) 4.540 4.561 ( 2.760 -1.235 -2.973) 4.240 4.730 ( -2.886 -0.338 0.110) 2.907 5.035 ( -6.635 -4.041 4.729) 9.095 5.205 ( 0.062 3.350 0.788) 3.442 5.907 ( 2.778 -2.338 1.341) 3.870 6.111 ( -2.440 -3.138 -0.536) 4.011 6.902 ( 1.248 -12.628 -0.399) 12.696 ======================= Grid point 13 (10/203) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 0.000 3.297 0.000) 3.297 1.545 ( -0.000 9.968 0.000) 9.968 1.815 ( 0.000 -0.304 0.000) 0.304 1.960 ( -0.000 -5.498 -0.000) 5.498 2.148 ( 0.000 5.863 0.000) 5.863 2.865 ( -0.000 -3.470 0.000) 3.470 3.362 ( -0.000 17.290 -0.000) 17.290 3.564 ( 0.000 -2.278 0.000) 2.278 3.733 ( 0.000 1.926 0.000) 1.926 3.752 ( 0.000 0.667 0.000) 0.667 3.978 ( 0.000 1.250 0.000) 1.250 4.175 ( 0.000 8.638 -0.000) 8.638 4.237 ( 0.000 8.847 0.000) 8.847 4.545 ( 0.000 -2.056 0.000) 2.056 4.612 ( 0.000 4.604 0.000) 4.604 4.690 ( -0.000 -1.658 0.000) 1.658 4.979 ( -0.000 -3.829 0.000) 3.829 5.210 ( 0.000 2.647 -0.000) 2.647 5.937 ( 0.000 -3.384 0.000) 3.384 6.085 ( 0.000 -2.372 0.000) 2.372 6.912 ( 0.000 -12.779 0.000) 12.779 ======================= Grid point 18 (11/203) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 0.000 18.256 0.000) 18.256 0.988 ( 0.000 20.622 0.000) 20.622 1.575 ( 0.000 31.391 0.000) 31.391 1.876 ( 0.000 7.275 0.000) 7.275 2.513 ( 0.000 15.339 0.000) 15.339 2.718 ( 0.000 -0.626 0.000) 0.626 3.557 ( 0.000 1.005 0.000) 1.005 3.563 ( 0.000 10.589 0.000) 10.589 3.768 ( 0.000 -0.195 0.000) 0.195 3.810 ( 0.000 3.403 0.000) 3.403 4.115 ( 0.000 -1.150 0.000) 1.150 4.271 ( 0.000 1.779 0.000) 1.779 4.417 ( 0.000 5.653 0.000) 5.653 4.513 ( 0.000 4.627 0.000) 4.627 4.658 ( 0.000 3.464 0.000) 3.464 4.729 ( 0.000 -1.740 0.000) 1.740 5.193 ( 0.000 -6.870 0.000) 6.870 5.443 ( 0.000 -3.367 0.000) 3.367 5.691 ( 0.000 -7.276 0.000) 7.276 6.114 ( 0.000 -7.765 0.000) 7.765 6.635 ( 0.000 -1.220 0.000) 1.220 ======================= Grid point 19 (12/203) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 9.567 15.830 -4.160) 18.958 1.021 ( 8.869 18.119 -4.598) 20.691 1.654 ( 7.424 24.780 -0.630) 25.876 1.907 ( 1.739 8.634 5.433) 10.348 2.477 ( -3.775 13.766 -0.851) 14.300 2.725 ( 1.094 -0.419 -0.597) 1.315 3.524 ( -1.949 6.806 2.409) 7.478 3.561 ( -0.248 6.070 -1.803) 6.337 3.776 ( 0.574 0.123 -2.142) 2.220 3.846 ( 3.166 1.580 0.592) 3.587 4.121 ( -0.708 -0.113 2.225) 2.338 4.262 ( -0.353 2.535 -0.142) 2.564 4.428 ( 1.692 6.460 -1.580) 6.862 4.528 ( 0.766 1.331 0.630) 1.659 4.657 ( -1.923 4.076 5.687) 7.257 4.747 ( 0.910 -1.419 1.380) 2.179 5.133 ( -7.755 -6.804 5.628) 11.751 5.397 ( -3.390 -0.398 -2.432) 4.191 5.726 ( 2.425 -5.658 2.146) 6.519 6.099 ( -1.360 -6.785 -0.377) 6.930 6.622 ( 1.361 -5.291 -7.937) 9.635 ======================= Grid point 20 (13/203) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 8.678 13.169 -3.785) 16.219 1.271 ( 17.070 10.531 -3.487) 20.358 1.776 ( 5.456 10.038 -0.244) 11.428 2.000 ( 4.555 12.303 3.779) 13.653 2.369 ( -6.262 10.208 -3.107) 12.373 2.753 ( 2.674 0.282 -1.077) 2.897 3.540 ( 1.424 14.013 2.506) 14.306 3.549 ( -0.631 -0.150 3.110) 3.177 3.770 ( 0.222 1.049 -1.842) 2.131 3.885 ( 0.037 0.270 0.781) 0.827 4.099 ( -3.023 2.268 2.823) 4.717 4.275 ( 2.550 2.775 -2.169) 4.348 4.461 ( 3.761 7.059 -4.469) 9.163 4.526 ( -1.020 -1.015 -0.565) 1.546 4.640 ( -5.533 4.070 9.511) 11.732 4.765 ( 0.560 1.996 0.871) 2.249 5.015 ( -8.566 -7.151 6.892) 13.115 5.325 ( -2.701 3.691 -1.610) 4.849 5.784 ( 2.812 -5.297 0.653) 6.033 6.066 ( -2.521 -5.017 1.510) 5.815 6.599 ( 1.923 -12.196 -9.602) 15.641 ======================= Grid point 21 (14/203) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 8.472 8.097 -1.826) 11.861 1.539 ( 13.509 8.158 0.607) 15.793 1.845 ( 2.303 -0.182 -0.002) 2.311 2.017 ( -6.743 8.325 0.317) 10.718 2.284 ( 1.367 9.534 -4.355) 10.571 2.810 ( 4.343 1.370 -2.340) 5.120 3.538 ( -2.676 2.533 6.760) 7.699 3.623 ( 3.678 8.820 3.617) 10.218 3.768 ( 0.962 2.715 -2.333) 3.706 3.855 ( -3.397 3.054 2.120) 5.036 4.060 ( -2.059 3.907 -0.696) 4.471 4.317 ( 3.409 4.196 -2.733) 6.058 4.461 ( -2.820 7.311 -2.063) 8.103 4.514 ( 0.469 0.189 -1.775) 1.846 4.605 ( -0.007 0.729 3.172) 3.255 4.774 ( -1.498 6.096 3.306) 7.095 4.915 ( -5.924 -7.279 4.508) 10.411 5.288 ( -0.726 4.398 -0.657) 4.506 5.830 ( 2.202 -5.266 -0.559) 5.735 6.028 ( -2.743 -4.869 2.291) 6.040 6.584 ( 1.493 -16.445 -6.120) 17.610 ======================= Grid point 22 (15/203) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 0.000 6.989 0.000) 6.989 1.748 ( -0.000 7.295 -0.000) 7.295 1.822 ( 0.000 1.142 0.000) 1.142 1.893 ( -0.000 1.121 -0.000) 1.121 2.302 ( 0.000 8.701 0.000) 8.701 2.851 ( 0.000 2.061 0.000) 2.061 3.532 ( 0.000 -0.847 0.000) 0.847 3.676 ( -0.000 7.528 -0.000) 7.528 3.769 ( 0.000 1.268 -0.000) 1.268 3.829 ( -0.000 11.297 0.000) 11.297 4.030 ( 0.000 3.874 0.000) 3.874 4.353 ( 0.000 6.404 -0.000) 6.404 4.406 ( 0.000 6.820 0.000) 6.820 4.507 ( 0.000 -0.747 0.000) 0.747 4.645 ( 0.000 -2.294 -0.000) 2.294 4.751 ( -0.000 6.661 0.000) 6.661 4.874 ( -0.000 -4.544 0.000) 4.544 5.282 ( 0.000 4.135 0.000) 4.135 5.851 ( 0.000 -4.476 -0.000) 4.476 6.007 ( 0.000 -5.959 0.000) 5.959 6.580 ( 0.000 -17.608 0.000) 17.608 ======================= Grid point 27 (16/203) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 0.000 16.423 0.000) 16.423 1.368 ( 0.000 16.468 0.000) 16.468 2.021 ( 0.000 5.771 0.000) 5.771 2.125 ( 0.000 22.348 0.000) 22.348 2.715 ( 0.000 0.551 0.000) 0.551 2.761 ( 0.000 7.964 0.000) 7.964 3.567 ( 0.000 -0.081 0.000) 0.081 3.726 ( 0.000 2.196 0.000) 2.196 3.863 ( 0.000 1.036 0.000) 1.036 3.890 ( 0.000 14.743 0.000) 14.743 4.104 ( 0.000 0.747 0.000) 0.747 4.301 ( 0.000 0.873 0.000) 0.873 4.514 ( 0.000 0.817 0.000) 0.817 4.588 ( 0.000 7.638 0.000) 7.638 4.679 ( 0.000 -2.949 0.000) 2.949 4.781 ( 0.000 6.073 0.000) 6.073 5.022 ( 0.000 -9.248 0.000) 9.248 5.362 ( 0.000 -4.491 0.000) 4.491 5.542 ( 0.000 -6.918 0.000) 6.918 5.976 ( 0.000 -5.248 0.000) 5.248 6.580 ( 0.000 -4.376 0.000) 4.376 ======================= Grid point 28 (17/203) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 7.612 14.780 -3.073) 16.907 1.375 ( 2.765 15.742 -2.990) 16.260 1.981 ( -2.458 7.756 -1.370) 8.251 2.197 ( 5.618 17.808 0.548) 18.681 2.692 ( -6.452 5.693 -0.463) 8.617 2.732 ( 2.407 2.375 -3.445) 4.828 3.559 ( -1.804 0.531 3.578) 4.042 3.719 ( -0.044 1.384 -1.709) 2.200 3.866 ( 0.661 6.073 -0.250) 6.114 3.919 ( 1.341 9.992 2.985) 10.514 4.125 ( 2.068 1.163 0.254) 2.386 4.290 ( -1.354 0.857 0.563) 1.698 4.520 ( 0.171 -0.059 0.881) 0.899 4.563 ( -1.438 4.213 0.669) 4.501 4.698 ( -0.495 0.820 2.109) 2.316 4.798 ( 0.911 4.706 4.836) 6.809 4.972 ( -7.104 -8.134 6.327) 12.517 5.365 ( 1.142 -2.733 -2.660) 3.981 5.563 ( 1.566 -8.746 0.901) 8.931 5.982 ( 0.622 -4.226 0.038) 4.271 6.525 ( -2.247 -4.981 -10.538) 11.871 ======================= Grid point 29 (18/203) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 4.550 13.923 -3.899) 15.158 1.491 ( 11.923 10.670 -4.121) 16.522 1.930 ( -2.591 6.146 -0.514) 6.690 2.276 ( 0.975 11.959 -0.526) 12.010 2.545 ( -5.979 7.368 -4.588) 10.540 2.780 ( 4.897 2.643 -2.741) 6.203 3.552 ( -1.807 0.351 5.055) 5.380 3.706 ( -0.812 0.609 0.402) 1.092 3.871 ( -0.751 3.857 -0.275) 3.939 3.963 ( 1.440 11.330 4.922) 12.436 4.168 ( 1.734 4.705 0.451) 5.034 4.273 ( 0.383 -1.400 -0.462) 1.523 4.518 ( -0.355 0.199 -0.831) 0.925 4.568 ( 0.520 0.646 2.197) 2.348 4.669 ( -2.974 1.251 0.099) 3.228 4.859 ( -9.586 -4.749 10.824) 15.219 4.869 ( 1.876 3.862 6.296) 7.620 5.370 ( 1.089 0.651 -2.817) 3.090 5.601 ( 1.904 -11.341 1.781) 11.636 5.985 ( -1.643 -2.824 1.828) 3.744 6.404 ( -1.217 -6.918 -16.929) 18.328 ======================= Grid point 30 (19/203) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 4.786 10.777 -2.578) 12.070 1.697 ( 12.190 7.113 -2.513) 14.336 1.881 ( -2.261 4.038 -0.692) 4.680 2.163 ( -11.243 5.189 -0.237) 12.385 2.492 ( 1.396 10.882 -3.382) 11.481 2.872 ( 6.709 4.309 -3.973) 8.909 3.539 ( -3.310 -0.410 5.813) 6.702 3.704 ( 0.559 0.255 0.426) 0.748 3.826 ( -3.590 0.926 0.446) 3.734 4.038 ( 3.051 11.500 5.531) 13.120 4.171 ( -0.951 7.028 -1.455) 7.240 4.322 ( 4.905 -2.328 -1.078) 5.535 4.505 ( -0.263 0.992 -1.153) 1.544 4.574 ( -4.210 -2.581 4.959) 6.999 4.618 ( 1.353 2.648 -5.541) 6.288 4.742 ( -7.874 -4.966 6.800) 11.528 4.947 ( 1.188 7.173 7.112) 10.171 5.371 ( 0.529 3.182 -1.744) 3.667 5.664 ( 3.834 -11.850 3.237) 12.869 5.918 ( -6.315 -4.758 -0.527) 7.925 6.319 ( 1.540 -7.908 -12.076) 14.517 ======================= Grid point 31 (20/203) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -0.000 8.766 0.000) 8.766 1.847 ( -0.000 4.958 -0.000) 4.958 1.868 ( 0.000 3.362 0.000) 3.362 1.990 ( -0.000 5.499 0.000) 5.499 2.499 ( 0.000 10.532 0.000) 10.532 2.932 ( 0.000 5.081 0.000) 5.081 3.519 ( 0.000 -0.712 -0.000) 0.712 3.720 ( 0.000 0.169 -0.000) 0.169 3.783 ( -0.000 0.272 0.000) 0.272 4.112 ( -0.000 11.424 -0.000) 11.424 4.131 ( 0.000 5.620 0.000) 5.620 4.386 ( 0.000 -1.685 0.000) 1.685 4.506 ( 0.000 1.559 -0.000) 1.559 4.511 ( -0.000 -0.314 0.000) 0.314 4.638 ( 0.000 2.209 0.000) 2.209 4.675 ( -0.000 -6.460 0.000) 6.460 4.980 ( 0.000 8.130 0.000) 8.130 5.370 ( 0.000 3.977 -0.000) 3.977 5.780 ( 0.000 -1.720 0.000) 1.720 5.781 ( -0.000 -16.776 -0.000) 16.776 6.302 ( 0.000 -7.531 0.000) 7.531 ======================= Grid point 36 (21/203) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.000 13.007 0.000) 13.007 1.664 ( 0.000 11.978 0.000) 11.978 2.093 ( 0.000 1.968 0.000) 1.968 2.500 ( 0.000 14.347 0.000) 14.347 2.723 ( 0.000 -0.908 0.000) 0.908 2.848 ( 0.000 1.316 0.000) 1.316 3.565 ( 0.000 0.548 0.000) 0.548 3.758 ( 0.000 1.645 0.000) 1.645 3.849 ( 0.000 -1.639 0.000) 1.639 4.154 ( 0.000 3.423 0.000) 3.423 4.214 ( 0.000 14.266 0.000) 14.266 4.295 ( 0.000 -1.434 0.000) 1.434 4.531 ( 0.000 2.301 0.000) 2.301 4.623 ( 0.000 -2.101 0.000) 2.101 4.767 ( 0.000 6.171 0.000) 6.171 4.839 ( 0.000 -8.081 0.000) 8.081 4.891 ( 0.000 7.026 0.000) 7.026 5.262 ( 0.000 -4.989 0.000) 4.989 5.417 ( 0.000 -5.151 0.000) 5.151 5.901 ( 0.000 -2.255 0.000) 2.255 6.448 ( 0.000 -8.476 0.000) 8.476 ======================= Grid point 37 (22/203) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 5.587 12.243 -2.769) 13.740 1.658 ( 0.386 11.500 -1.854) 11.655 2.076 ( -1.518 2.692 -0.761) 3.183 2.512 ( 0.217 11.638 -1.104) 11.693 2.699 ( -1.585 -1.240 -0.238) 2.026 2.841 ( 0.792 4.896 -3.157) 5.879 3.558 ( -1.930 -0.063 4.173) 4.598 3.737 ( -1.499 1.218 -0.677) 2.047 3.872 ( 1.342 -1.755 0.920) 2.393 4.144 ( -0.164 4.597 -0.502) 4.627 4.226 ( -0.894 8.065 4.010) 9.051 4.311 ( 1.550 2.552 0.207) 2.993 4.520 ( -0.990 0.022 0.420) 1.075 4.611 ( -1.481 2.543 0.038) 2.943 4.722 ( -4.690 -2.543 -1.256) 5.481 4.842 ( 1.196 -0.205 0.958) 1.546 4.888 ( -5.215 2.836 14.312) 15.495 5.285 ( 3.377 -4.373 -3.440) 6.509 5.417 ( 0.223 -5.158 -0.783) 5.222 5.925 ( 2.291 -1.468 -0.290) 2.736 6.398 ( -1.914 -7.558 -10.031) 12.705 ======================= Grid point 38 (23/203) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 2.389 11.155 -2.186) 11.616 1.698 ( 7.232 9.180 -4.523) 12.531 2.037 ( -1.977 4.359 -1.051) 4.900 2.424 ( -8.997 2.098 -0.851) 9.278 2.712 ( 2.995 9.469 -2.506) 10.242 2.863 ( 4.677 4.910 -3.932) 7.839 3.546 ( -3.078 -1.040 6.720) 7.464 3.710 ( -1.118 0.467 -0.083) 1.214 3.880 ( -1.399 -1.125 0.568) 1.883 4.151 ( 1.219 2.525 -0.591) 2.865 4.233 ( -0.598 2.751 4.715) 5.491 4.333 ( -0.161 5.551 1.537) 5.762 4.512 ( -0.344 -0.676 1.261) 1.472 4.556 ( -6.053 -1.772 2.564) 6.808 4.640 ( -1.153 0.697 -3.356) 3.616 4.820 ( -5.403 -0.314 6.395) 8.378 4.936 ( 1.155 0.642 12.460) 12.530 5.331 ( 3.620 -4.537 -3.449) 6.751 5.417 ( 0.380 -4.461 -0.675) 4.528 5.949 ( -0.786 -0.541 0.317) 1.005 6.290 ( -0.338 -4.800 -15.978) 16.687 ======================= Grid point 39 (24/203) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 1.117 9.039 -1.535) 9.236 1.833 ( 9.393 6.468 -3.812) 12.025 1.998 ( -1.803 6.310 -0.361) 6.572 2.230 ( -10.846 1.697 -0.543) 10.992 2.734 ( 0.727 12.624 -1.208) 12.702 2.962 ( 7.942 3.941 -5.124) 10.241 3.519 ( -4.330 -1.801 6.949) 8.383 3.702 ( 0.448 -0.151 -0.183) 0.507 3.833 ( -3.483 0.174 0.334) 3.503 4.182 ( 2.308 0.254 0.208) 2.331 4.254 ( -0.020 2.278 2.286) 3.227 4.327 ( -0.806 1.804 1.227) 2.326 4.445 ( -6.598 -8.626 2.733) 11.199 4.525 ( 0.609 1.873 0.783) 2.120 4.638 ( 2.217 3.658 -2.764) 5.092 4.755 ( -5.044 1.373 4.276) 6.753 5.034 ( 1.826 -0.255 9.438) 9.616 5.373 ( 2.944 -7.382 -1.712) 8.130 5.423 ( 0.126 -3.801 0.515) 3.838 5.877 ( -5.111 0.750 -3.783) 6.403 6.236 ( 2.469 -1.503 -9.659) 10.082 ======================= Grid point 40 (25/203) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 0.000 7.642 0.000) 7.642 1.955 ( 0.000 4.804 -0.000) 4.804 1.968 ( -0.000 5.980 0.000) 5.980 2.089 ( -0.000 4.525 0.000) 4.525 2.736 ( 0.000 12.501 0.000) 12.501 3.032 ( 0.000 4.170 0.000) 4.170 3.492 ( 0.000 -2.123 -0.000) 2.123 3.713 ( 0.000 -0.757 -0.000) 0.757 3.792 ( -0.000 0.910 0.000) 0.910 4.218 ( 0.000 -0.656 0.000) 0.656 4.249 ( 0.000 5.747 0.000) 5.747 4.332 ( 0.000 -3.353 -0.000) 3.353 4.379 ( -0.000 -10.656 0.000) 10.656 4.534 ( 0.000 3.247 0.000) 3.247 4.666 ( 0.000 2.208 0.000) 2.208 4.705 ( 0.000 3.780 -0.000) 3.780 5.083 ( 0.000 0.087 0.000) 0.087 5.414 ( 0.000 -14.759 -0.000) 14.759 5.415 ( -0.000 -0.005 0.000) 0.005 5.800 ( -0.000 3.549 0.000) 3.549 6.236 ( 0.000 -0.548 0.000) 0.548 ======================= Grid point 45 (26/203) ======================= q-point: ( 0.00 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 0.000 7.290 0.000) 7.290 1.820 ( 0.000 2.733 0.000) 2.733 2.175 ( 0.000 7.362 0.000) 7.362 2.640 ( 0.000 -7.113 0.000) 7.113 2.720 ( 0.000 7.221 0.000) 7.221 2.848 ( 0.000 -0.676 0.000) 0.676 3.606 ( 0.000 2.919 0.000) 2.919 3.791 ( 0.000 1.339 0.000) 1.339 3.825 ( 0.000 -0.327 0.000) 0.327 4.184 ( 0.000 -2.003 0.000) 2.003 4.281 ( 0.000 1.617 0.000) 1.617 4.424 ( 0.000 6.741 0.000) 6.741 4.598 ( 0.000 -0.482 0.000) 0.482 4.621 ( 0.000 4.474 0.000) 4.474 4.703 ( 0.000 -5.020 0.000) 5.020 4.794 ( 0.000 0.400 0.000) 0.400 5.026 ( 0.000 -1.477 0.000) 1.477 5.245 ( 0.000 7.661 0.000) 7.661 5.335 ( 0.000 -2.711 0.000) 2.711 5.873 ( 0.000 -0.682 0.000) 0.682 6.247 ( 0.000 -10.182 0.000) 10.182 ======================= Grid point 46 (27/203) ======================= q-point: ( 0.12 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 4.846 7.440 -2.630) 9.260 1.816 ( 0.299 3.333 -1.450) 3.647 2.153 ( -2.155 5.987 0.394) 6.376 2.559 ( -7.278 -5.202 -0.495) 8.960 2.770 ( 5.306 6.550 -0.773) 8.465 2.897 ( 3.655 0.388 1.026) 3.816 3.579 ( -3.549 2.073 2.715) 4.926 3.767 ( -2.131 1.383 -0.191) 2.547 3.837 ( 0.747 -1.068 0.866) 1.564 4.164 ( -1.733 -2.388 -1.087) 3.144 4.296 ( 0.640 2.829 2.643) 3.924 4.434 ( -1.500 6.166 2.197) 6.716 4.520 ( -2.996 0.235 0.767) 3.102 4.613 ( -7.814 -4.078 2.039) 9.047 4.689 ( 2.561 -0.089 1.392) 2.916 4.843 ( 3.402 1.994 -0.367) 3.960 4.960 ( -7.443 0.813 1.275) 7.595 5.254 ( 0.704 2.406 2.560) 3.583 5.336 ( 0.459 -2.773 -0.811) 2.926 5.923 ( 4.897 1.391 -1.862) 5.420 6.222 ( -0.048 -9.110 -7.400) 11.737 ======================= Grid point 47 (28/203) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -0.256 6.098 -0.099) 6.104 1.856 ( 7.146 5.771 -5.503) 10.708 2.118 ( -1.734 3.619 0.373) 4.030 2.405 ( -8.832 -2.777 -0.762) 9.290 2.887 ( 8.098 5.878 -2.050) 10.214 2.962 ( 2.654 4.554 0.614) 5.306 3.522 ( -5.475 -0.825 6.319) 8.401 3.725 ( -2.116 0.746 0.029) 2.244 3.855 ( 0.413 -0.668 0.923) 1.212 4.116 ( -2.558 -3.572 -0.529) 4.425 4.324 ( -0.640 2.717 4.071) 4.936 4.364 ( -5.112 1.894 2.426) 5.967 4.467 ( -7.509 -4.538 -1.851) 8.967 4.544 ( 2.562 2.797 0.959) 3.912 4.731 ( -0.220 -2.140 5.619) 6.017 4.791 ( -9.241 2.329 3.256) 10.071 4.915 ( 2.853 -0.094 -0.397) 2.882 5.285 ( 0.259 -0.098 2.598) 2.612 5.349 ( 2.184 -3.081 -2.448) 4.500 5.971 ( 0.359 2.651 -2.008) 3.345 6.191 ( 3.487 -4.947 -10.325) 11.968 ======================= Grid point 48 (29/203) ======================= q-point: ( 0.38 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -1.205 5.008 0.102) 5.152 1.963 ( 6.913 5.774 -3.875) 9.805 2.096 ( -1.073 2.450 -0.076) 2.676 2.253 ( -6.851 0.959 -0.454) 6.932 2.994 ( 0.734 11.586 1.487) 11.704 3.023 ( 8.231 2.286 -5.102) 9.951 3.460 ( -5.787 -3.957 7.628) 10.360 3.698 ( -0.763 -0.274 -0.017) 0.811 3.852 ( -1.185 2.189 0.230) 2.500 4.096 ( 0.610 -6.196 1.887) 6.506 4.272 ( -4.564 -4.101 0.677) 6.173 4.302 ( -5.414 -3.275 -1.937) 6.617 4.368 ( -1.405 4.765 1.668) 5.240 4.594 ( 2.012 3.948 0.899) 4.522 4.676 ( -5.425 -4.806 5.370) 9.020 4.756 ( 0.440 0.949 1.081) 1.505 4.960 ( 1.724 -2.601 0.571) 3.172 5.291 ( -0.492 -0.480 1.251) 1.428 5.377 ( 1.756 -2.475 -1.701) 3.479 5.924 ( -2.239 2.958 -3.516) 5.111 6.221 ( 3.781 -0.440 -5.283) 6.512 ======================= Grid point 49 (30/203) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 0.000 4.428 0.000) 4.428 2.046 ( 0.000 3.632 -0.000) 3.632 2.058 ( -0.000 2.592 0.000) 2.592 2.185 ( -0.000 4.266 0.000) 4.266 3.003 ( 0.000 13.045 0.000) 13.045 3.095 ( -0.000 2.009 0.000) 2.009 3.422 ( 0.000 -5.013 -0.000) 5.013 3.693 ( 0.000 -0.970 -0.000) 0.970 3.835 ( -0.000 3.685 0.000) 3.685 4.154 ( 0.000 -10.779 0.000) 10.779 4.172 ( -0.000 -2.304 -0.000) 2.304 4.254 ( 0.000 -3.605 -0.000) 3.605 4.363 ( 0.000 5.394 0.000) 5.394 4.620 ( -0.000 4.520 0.000) 4.520 4.642 ( 0.000 -6.002 -0.000) 6.002 4.763 ( 0.000 1.234 0.000) 1.234 4.978 ( 0.000 -4.902 -0.000) 4.902 5.289 ( 0.000 -0.601 0.000) 0.601 5.387 ( 0.000 -1.878 -0.000) 1.878 5.889 ( 0.000 3.991 0.000) 3.991 6.242 ( 0.000 0.643 0.000) 0.643 ======================= Grid point 54 (31/203) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 0.000 0.000 0.000) 0.000 1.832 ( 0.000 0.000 0.000) 0.000 2.314 ( 0.000 0.000 0.000) 0.000 2.509 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 2.836 ( 0.000 -0.000 0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.806 ( 0.000 0.000 0.000) 0.000 3.830 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.511 ( 0.000 0.000 0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.645 ( 0.000 0.000 0.000) 0.000 4.877 ( 0.000 -0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.383 ( 0.000 0.000 0.000) 0.000 5.867 ( 0.000 0.000 0.000) 0.000 6.114 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 56 (32/203) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 6.612 0.000 -3.576) 7.517 1.829 ( -0.618 -0.000 0.579) 0.847 2.261 ( -4.848 0.000 -0.514) 4.876 2.463 ( -4.727 0.000 0.233) 4.732 2.867 ( 3.964 0.000 -2.635) 4.760 2.870 ( 5.395 -0.000 5.246) 7.525 3.609 ( -4.194 0.000 1.784) 4.557 3.781 ( -2.364 0.000 -0.229) 2.375 3.833 ( -0.021 0.000 1.780) 1.780 4.122 ( -1.792 0.000 -1.648) 2.434 4.336 ( 1.847 0.000 1.509) 2.385 4.516 ( -7.856 -0.000 2.554) 8.261 4.533 ( 1.956 -0.000 0.600) 2.046 4.559 ( -7.018 0.000 -1.580) 7.194 4.647 ( -1.898 0.000 9.034) 9.231 4.916 ( 3.753 -0.000 -2.322) 4.413 4.921 ( -0.834 0.000 -4.549) 4.625 5.289 ( -1.157 0.000 -5.281) 5.406 5.323 ( -5.266 0.000 10.162) 11.445 5.965 ( 10.184 0.000 -5.213) 11.440 6.088 ( -1.476 0.000 -3.692) 3.977 ======================= Grid point 58 (33/203) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -1.663 0.000 0.908) 1.894 1.917 ( 9.322 0.000 -5.357) 10.751 2.167 ( -4.625 0.000 -0.140) 4.627 2.361 ( -6.032 -0.000 0.042) 6.032 2.941 ( 6.402 0.000 -4.567) 7.864 3.018 ( 6.219 0.000 7.137) 9.467 3.517 ( -7.931 0.000 4.846) 9.294 3.732 ( -2.609 -0.000 -0.179) 2.615 3.856 ( 1.204 0.000 2.866) 3.108 4.063 ( -3.269 0.000 -2.392) 4.051 4.341 ( -5.559 0.000 2.778) 6.214 4.403 ( -8.358 0.000 -2.700) 8.783 4.424 ( -0.117 -0.000 1.702) 1.706 4.587 ( 3.191 0.000 1.119) 3.381 4.655 ( -5.537 0.000 12.387) 13.568 4.807 ( -5.785 0.000 -4.694) 7.450 4.955 ( 1.856 0.000 -2.590) 3.187 5.279 ( 0.576 0.000 2.504) 2.569 5.315 ( 0.560 0.000 -0.113) 0.571 6.026 ( -2.164 0.000 -5.406) 5.823 6.114 ( 8.835 -0.000 -4.901) 10.104 ======================= Grid point 60 (34/203) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -1.920 0.000 0.719) 2.050 2.038 ( 6.388 0.000 -4.242) 7.669 2.105 ( -2.153 -0.000 0.018) 2.153 2.267 ( -3.908 -0.000 0.186) 3.913 3.041 ( 7.760 0.000 -5.791) 9.682 3.153 ( 4.075 0.000 5.248) 6.644 3.392 ( -9.171 0.000 6.856) 11.450 3.694 ( -1.379 0.000 -0.054) 1.380 3.910 ( 2.525 0.000 3.460) 4.284 3.988 ( -3.173 0.000 -1.566) 3.538 4.241 ( -6.452 -0.000 -5.500) 8.478 4.249 ( -4.373 0.000 1.257) 4.550 4.460 ( 1.498 0.000 1.205) 1.922 4.558 ( -9.324 0.000 8.688) 12.744 4.651 ( 2.773 0.000 1.219) 3.029 4.757 ( 0.623 0.000 -1.285) 1.427 4.954 ( -0.136 0.000 -2.007) 2.012 5.289 ( -0.850 0.000 2.445) 2.588 5.345 ( 2.519 0.000 -1.739) 3.061 5.961 ( -1.584 0.000 -3.966) 4.270 6.215 ( 4.720 0.000 -2.807) 5.492 ======================= Grid point 62 (35/203) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 0.000 0.000 0.000) 0.000 2.083 ( -0.000 0.000 0.000) 0.000 2.086 ( 0.000 0.000 -0.000) 0.000 2.233 ( 0.000 0.000 0.000) 0.000 3.115 ( -0.000 0.000 0.000) 0.000 3.208 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 -0.000) 0.000 3.682 ( 0.000 0.000 -0.000) 0.000 3.951 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 -0.000 0.000) 0.000 4.148 ( -0.000 0.000 -0.000) 0.000 4.212 ( 0.000 0.000 0.000) 0.000 4.478 ( 0.000 0.000 0.000) 0.000 4.494 ( 0.000 -0.000 -0.000) 0.000 4.684 ( 0.000 0.000 -0.000) 0.000 4.762 ( 0.000 0.000 0.000) 0.000 4.943 ( 0.000 0.000 0.000) 0.000 5.288 ( 0.000 0.000 0.000) 0.000 5.364 ( 0.000 0.000 -0.000) 0.000 5.933 ( 0.000 0.000 0.000) 0.000 6.250 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 117 (36/203) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 4.935 0.000 20.229) 20.822 0.483 ( -8.066 0.000 20.231) 21.780 0.684 ( -9.601 0.000 30.561) 32.034 1.784 ( 7.210 0.000 6.429) 9.660 2.054 ( 1.593 0.000 1.411) 2.128 2.768 ( -2.575 0.000 2.893) 3.873 3.216 ( -1.584 0.000 -2.158) 2.677 3.517 ( 9.778 0.000 -1.482) 9.889 3.659 ( -0.721 0.000 0.793) 1.071 3.728 ( 0.082 0.000 0.589) 0.595 3.831 ( -2.802 0.000 2.199) 3.562 4.171 ( 0.387 0.000 0.017) 0.388 4.194 ( -1.455 0.000 -2.360) 2.772 4.350 ( -3.541 0.000 1.658) 3.910 4.646 ( -0.917 0.000 -1.065) 1.406 5.081 ( 12.066 0.000 -0.868) 12.097 5.105 ( 1.055 0.000 2.563) 2.771 5.340 ( 2.463 0.000 -13.313) 13.539 5.813 ( 10.059 0.000 -3.836) 10.766 6.027 ( -11.941 0.000 6.342) 13.521 7.396 ( -12.968 0.000 1.600) 13.066 ======================= Grid point 118 (37/203) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 13.631 0.000 13.080) 18.892 0.758 ( 14.385 0.000 14.440) 20.383 0.889 ( 11.914 0.000 14.811) 19.009 1.968 ( 6.524 0.000 10.545) 12.400 2.071 ( -1.256 0.000 2.338) 2.654 2.763 ( 0.150 0.000 3.099) 3.102 3.166 ( -1.943 0.000 -3.394) 3.911 3.655 ( 0.043 0.000 0.657) 0.658 3.739 ( 0.613 0.000 0.771) 0.985 3.812 ( 12.840 0.000 -12.458) 17.891 3.837 ( 4.535 0.000 0.023) 4.535 4.153 ( -1.213 0.000 -2.592) 2.862 4.214 ( 1.378 0.000 3.468) 3.731 4.317 ( 1.031 0.000 -0.738) 1.268 4.610 ( -2.010 0.000 -1.515) 2.518 5.058 ( -11.613 0.000 -4.815) 12.571 5.144 ( 1.283 0.000 2.790) 3.071 5.317 ( 2.632 0.000 -2.985) 3.979 5.797 ( -3.042 0.000 5.799) 6.548 6.101 ( 8.944 0.000 -4.998) 10.245 7.155 ( -12.196 0.000 8.695) 14.978 ======================= Grid point 119 (38/203) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 9.739 0.000 8.491) 12.921 1.092 ( 14.366 0.000 8.606) 16.747 1.280 ( 25.571 0.000 -0.471) 25.575 2.024 ( -5.294 0.000 1.040) 5.395 2.089 ( 1.219 0.000 3.297) 3.515 2.832 ( 3.810 0.000 7.937) 8.804 3.118 ( -1.014 0.000 -2.471) 2.670 3.670 ( 1.088 0.000 0.663) 1.274 3.755 ( 0.484 0.000 0.991) 1.103 3.802 ( -2.276 0.000 -10.476) 10.720 3.949 ( 6.123 0.000 -0.281) 6.129 4.124 ( -0.532 0.000 -1.594) 1.681 4.225 ( -3.696 0.000 6.522) 7.497 4.392 ( 5.842 0.000 0.036) 5.842 4.567 ( -1.323 0.000 -0.989) 1.652 4.832 ( -9.327 0.000 -1.019) 9.383 5.177 ( 0.711 0.000 1.879) 2.009 5.287 ( -5.633 0.000 2.759) 6.273 5.844 ( 4.249 0.000 0.078) 4.250 6.163 ( 1.496 0.000 -3.533) 3.837 7.034 ( -5.116 0.000 0.055) 5.116 ======================= Grid point 120 (39/203) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 5.689 0.000 5.734) 8.078 1.357 ( 10.124 0.000 4.344) 11.017 1.711 ( 21.324 0.000 -6.749) 22.367 1.890 ( -8.444 0.000 -2.559) 8.823 2.060 ( -1.808 0.000 -5.878) 6.150 2.924 ( 0.422 0.000 1.285) 1.352 3.111 ( 0.860 0.000 0.533) 1.012 3.697 ( 1.275 0.000 0.573) 1.398 3.699 ( -2.329 0.000 -0.233) 2.341 3.764 ( -0.305 0.000 1.047) 1.090 4.064 ( 4.028 0.000 3.122) 5.096 4.119 ( 0.513 0.000 0.141) 0.532 4.150 ( -8.115 0.000 9.846) 12.759 4.491 ( 4.220 0.000 0.338) 4.234 4.564 ( 1.250 0.000 0.558) 1.369 4.729 ( -1.901 0.000 -0.868) 2.090 5.165 ( -9.464 0.000 3.743) 10.177 5.188 ( -0.318 0.000 0.416) 0.524 5.891 ( 1.634 0.000 -4.940) 5.203 6.159 ( 0.034 0.000 0.975) 0.976 6.954 ( -0.910 0.000 -8.927) 8.974 ======================= Grid point 121 (40/203) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -0.258 0.000 6.226) 6.231 1.435 ( -6.543 0.000 0.671) 6.577 1.767 ( 0.867 0.000 -4.742) 4.821 1.791 ( -2.070 0.000 -20.079) 20.185 2.086 ( 3.195 0.000 0.011) 3.195 2.845 ( -3.272 0.000 -9.140) 9.708 3.149 ( 1.996 0.000 2.936) 3.551 3.716 ( 0.280 0.000 0.610) 0.671 3.744 ( 1.346 0.000 8.393) 8.500 3.756 ( -1.035 0.000 0.740) 1.272 4.040 ( -2.588 0.000 6.736) 7.217 4.145 ( 1.533 0.000 1.964) 2.491 4.182 ( -0.302 0.000 11.699) 11.703 4.511 ( -0.297 0.000 -1.681) 1.707 4.645 ( 5.454 0.000 2.338) 5.934 4.707 ( -2.205 0.000 0.808) 2.349 5.020 ( -6.529 0.000 0.489) 6.547 5.171 ( -1.340 0.000 -0.959) 1.648 5.858 ( -0.119 0.000 -7.892) 7.893 6.181 ( 0.284 0.000 3.812) 3.823 6.901 ( 2.688 0.000 -13.754) 14.014 ======================= Grid point 122 (41/203) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -12.786 0.000 3.050) 13.145 1.176 ( -18.216 0.000 -2.550) 18.394 1.628 ( 0.413 0.000 -20.300) 20.304 1.836 ( 6.583 0.000 -3.241) 7.338 1.953 ( -18.881 0.000 3.942) 19.288 2.809 ( 2.722 0.000 -3.033) 4.075 3.204 ( 1.763 0.000 3.178) 3.634 3.706 ( -1.660 0.000 0.888) 1.882 3.746 ( -0.358 0.000 0.442) 0.569 3.750 ( -0.572 0.000 -3.591) 3.636 4.136 ( 3.336 0.000 5.246) 6.217 4.189 ( 1.595 0.000 2.733) 3.164 4.217 ( -2.141 0.000 15.455) 15.602 4.506 ( 0.475 0.000 1.716) 1.780 4.637 ( -5.252 0.000 2.762) 5.934 4.740 ( 3.220 0.000 1.156) 3.421 4.970 ( 1.955 0.000 -5.324) 5.672 5.133 ( -1.810 0.000 -1.563) 2.391 5.820 ( 0.675 0.000 -6.042) 6.079 6.198 ( -0.145 0.000 1.423) 1.430 6.903 ( 5.942 0.000 -10.879) 12.396 ======================= Grid point 123 (42/203) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -19.673 0.000 -1.116) 19.704 0.806 ( -20.805 0.000 -0.163) 20.805 1.523 ( -28.130 0.000 9.395) 29.657 1.599 ( 1.688 0.000 -8.298) 8.468 1.930 ( 5.318 0.000 -2.072) 5.707 2.840 ( -0.322 0.000 2.950) 2.967 3.241 ( 0.573 0.000 1.763) 1.854 3.681 ( -1.497 0.000 1.087) 1.850 3.733 ( 3.260 0.000 -10.914) 11.390 3.741 ( -0.615 0.000 0.452) 0.763 4.080 ( -8.640 0.000 5.724) 10.364 4.224 ( 0.554 0.000 1.720) 1.807 4.317 ( 3.292 0.000 -1.243) 3.518 4.538 ( -3.024 0.000 10.220) 10.658 4.612 ( 1.537 0.000 1.022) 1.845 4.766 ( -0.129 0.000 -0.168) 0.212 5.011 ( 7.846 0.000 -7.614) 10.933 5.096 ( -1.295 0.000 -0.812) 1.528 5.798 ( -1.567 0.000 -0.964) 1.839 6.203 ( 1.819 0.000 -4.199) 4.577 7.006 ( 9.612 0.000 0.152) 9.613 ======================= Grid point 124 (43/203) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( -16.607 0.000 10.297) 19.540 0.507 ( -13.121 0.000 14.864) 19.827 1.016 ( -33.913 0.000 19.102) 38.923 1.652 ( 5.562 0.000 -1.276) 5.707 2.003 ( 3.591 0.000 -0.387) 3.612 2.823 ( -3.592 0.000 3.246) 4.841 3.244 ( -0.705 0.000 -0.224) 0.739 3.667 ( -0.864 0.000 1.099) 1.398 3.687 ( -3.280 0.000 -16.505) 16.828 3.731 ( -0.655 0.000 0.465) 0.803 3.938 ( -9.691 0.000 1.815) 9.859 4.225 ( -0.814 0.000 -0.569) 0.993 4.271 ( -6.589 0.000 -7.970) 10.342 4.428 ( -8.470 0.000 1.898) 8.680 4.650 ( 1.106 0.000 -0.197) 1.123 4.845 ( 8.088 0.000 7.627) 11.117 5.084 ( -0.019 0.000 1.036) 1.036 5.192 ( 15.388 0.000 -6.150) 16.572 5.749 ( -2.906 0.000 1.486) 3.264 6.190 ( -1.700 0.000 -6.304) 6.529 7.274 ( 16.241 0.000 8.572) 18.365 ======================= Grid point 125 (44/203) ======================= q-point: ( 0.00 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -5.144 16.271 9.940) 19.749 0.690 ( -13.905 12.261 18.242) 26.009 1.040 ( 1.808 27.664 14.158) 31.129 1.815 ( 6.094 3.427 5.400) 8.834 2.205 ( 1.580 11.992 0.238) 12.098 2.770 ( -2.608 0.399 3.680) 4.529 3.328 ( -1.193 6.928 -4.593) 8.398 3.525 ( 2.853 1.516 -1.035) 3.393 3.744 ( -0.953 0.998 -0.272) 1.406 3.778 ( -1.567 1.770 -0.590) 2.436 4.023 ( 3.864 11.115 -5.699) 13.075 4.202 ( -1.212 4.203 0.381) 4.391 4.275 ( 0.565 6.860 -2.091) 7.194 4.375 ( -0.563 3.335 0.906) 3.502 4.629 ( -0.664 -1.422 -1.182) 1.965 4.915 ( 4.065 -5.966 7.100) 10.126 5.207 ( 7.627 -0.742 -5.583) 9.481 5.386 ( -0.291 3.141 -10.518) 10.980 5.768 ( 7.703 -4.291 -4.271) 9.798 6.057 ( -6.162 1.096 -1.302) 6.392 7.050 ( -9.730 -19.553 15.017) 26.505 ======================= Grid point 126 (45/203) ======================= q-point: ( 0.12 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 9.716 4.440 11.518) 15.710 0.743 ( 9.067 10.151 11.832) 18.035 1.226 ( 10.176 22.071 7.334) 25.386 1.954 ( 4.086 0.690 7.817) 8.848 2.205 ( -1.955 9.673 -0.001) 9.868 2.766 ( -0.358 0.421 3.901) 3.940 3.272 ( -0.846 9.594 -2.068) 9.851 3.581 ( 2.402 -1.897 0.682) 3.136 3.739 ( -0.107 0.197 -0.512) 0.559 3.808 ( 3.841 0.651 -2.731) 4.758 4.052 ( 2.867 10.975 -3.471) 11.862 4.219 ( -0.457 1.000 4.375) 4.511 4.235 ( -1.369 4.307 -4.527) 6.397 4.426 ( 5.430 10.749 -1.244) 12.106 4.597 ( -1.799 -0.839 -1.881) 2.734 4.960 ( -4.295 -5.425 3.184) 7.616 5.242 ( -4.699 4.384 -3.071) 7.123 5.298 ( 1.910 -1.504 -3.525) 4.282 5.804 ( -1.406 -0.341 1.871) 2.365 6.056 ( 6.853 -3.807 -6.109) 9.939 6.944 ( -8.689 -16.656 9.783) 21.181 ======================= Grid point 127 (46/203) ======================= q-point: ( 0.25 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 8.741 1.287 9.346) 12.861 1.098 ( 20.352 3.710 3.055) 20.912 1.482 ( 15.185 15.217 1.106) 21.526 2.028 ( -0.306 -1.010 4.620) 4.739 2.125 ( -5.581 5.457 -3.461) 8.538 2.791 ( 0.463 -2.541 2.922) 3.900 3.299 ( 3.042 14.930 3.416) 15.615 3.628 ( 2.111 -2.423 1.326) 3.477 3.731 ( -0.216 -0.695 -0.792) 1.076 3.816 ( -0.958 2.128 -5.106) 5.614 4.092 ( 3.085 9.029 -0.963) 9.590 4.155 ( -3.728 1.335 0.856) 4.051 4.266 ( 1.453 3.352 1.183) 3.840 4.519 ( 4.056 12.040 1.030) 12.746 4.548 ( -2.088 -1.351 -1.122) 2.728 4.819 ( -8.916 -1.196 0.392) 9.005 5.196 ( -1.011 1.012 1.284) 1.922 5.268 ( -4.842 -1.388 2.116) 5.463 5.828 ( 2.794 -1.748 -0.496) 3.333 6.119 ( 3.061 -3.834 -4.071) 6.375 6.858 ( -4.009 -15.798 -0.051) 16.299 ======================= Grid point 128 (47/203) ======================= q-point: ( 0.38 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 6.491 1.973 5.352) 8.642 1.434 ( 14.353 5.353 2.278) 15.487 1.719 ( 6.969 2.548 -6.582) 9.919 1.984 ( -4.452 5.066 0.626) 6.773 2.037 ( 2.144 1.545 -5.149) 5.787 2.810 ( 0.737 -5.268 -0.429) 5.336 3.352 ( -0.643 16.225 -1.811) 16.338 3.663 ( 0.427 -0.554 5.102) 5.150 3.731 ( 0.745 -1.914 0.049) 2.054 3.760 ( -1.587 3.997 -1.049) 4.427 4.100 ( -4.594 0.129 5.033) 6.815 4.144 ( 2.332 6.341 0.204) 6.759 4.292 ( 0.329 8.757 4.732) 9.959 4.509 ( -0.433 -0.311 -1.384) 1.483 4.588 ( 1.568 5.342 3.421) 6.535 4.724 ( -1.327 -0.208 -0.804) 1.565 5.128 ( -8.983 -3.286 3.948) 10.347 5.215 ( -0.782 2.141 0.112) 2.282 5.856 ( 1.408 -3.290 -4.494) 5.745 6.138 ( 0.384 -1.897 1.230) 2.293 6.800 ( 0.613 -14.275 -8.763) 16.761 ======================= Grid point 129 (48/203) ======================= q-point: (-0.50 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.030 2.516 5.570) 6.112 1.539 ( -9.865 7.675 -1.929) 12.647 1.677 ( 6.047 -0.442 -10.643) 12.249 1.909 ( -1.750 3.380 -4.541) 5.925 2.147 ( 4.787 6.727 -0.223) 8.260 2.802 ( 0.559 -2.528 -6.014) 6.547 3.278 ( -2.294 10.498 -3.051) 11.170 3.687 ( -3.514 -2.481 5.307) 6.831 3.739 ( -0.529 1.383 0.709) 1.642 3.772 ( 2.556 0.948 2.646) 3.800 4.058 ( -2.530 1.798 6.457) 7.164 4.190 ( 2.248 6.435 1.660) 7.016 4.338 ( -0.542 9.831 9.785) 13.881 4.499 ( 0.238 -1.217 -2.052) 2.397 4.650 ( 4.165 0.037 0.328) 4.178 4.710 ( -2.431 1.372 2.545) 3.777 4.984 ( -6.842 -3.482 0.835) 7.722 5.202 ( -0.684 2.816 -0.787) 3.003 5.837 ( 0.791 -1.988 -6.867) 7.193 6.148 ( -1.014 -3.289 3.498) 4.908 6.784 ( 4.388 -10.647 -11.798) 16.486 ======================= Grid point 130 (49/203) ======================= q-point: (-0.38 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -13.300 3.523 3.180) 14.122 1.320 ( -11.158 10.213 -0.148) 15.127 1.655 ( 1.145 3.560 -14.342) 14.821 1.918 ( -0.813 4.837 0.607) 4.942 2.073 ( -9.308 12.379 -0.989) 15.520 2.799 ( 2.425 -0.436 -2.872) 3.784 3.282 ( 1.954 7.267 1.864) 7.752 3.622 ( -4.212 -5.289 0.677) 6.795 3.737 ( 0.036 1.874 0.123) 1.879 3.824 ( 2.814 1.359 -1.628) 3.524 4.082 ( -0.275 -2.073 6.396) 6.729 4.229 ( -0.672 7.311 4.214) 8.466 4.371 ( -0.627 7.046 4.311) 8.284 4.510 ( 1.512 0.396 2.152) 2.660 4.624 ( -6.010 -0.799 2.902) 6.722 4.736 ( 2.624 -0.187 1.400) 2.980 4.930 ( 1.795 -3.825 -5.111) 6.631 5.189 ( 0.150 4.905 -0.391) 4.922 5.818 ( 1.053 -0.524 -5.563) 5.686 6.141 ( -0.769 -5.442 0.390) 5.510 6.823 ( 6.067 -6.967 -7.171) 11.695 ======================= Grid point 131 (50/203) ======================= q-point: (-0.25 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -13.854 10.929 5.259) 18.412 1.083 ( -15.303 16.845 1.424) 22.802 1.621 ( -20.288 6.874 4.638) 21.918 1.639 ( -2.621 7.565 -6.028) 10.021 2.074 ( 5.295 12.675 -2.645) 13.989 2.824 ( -0.619 -0.972 3.285) 3.481 3.320 ( 0.688 7.150 0.945) 7.245 3.570 ( -1.421 -4.755 -1.073) 5.077 3.741 ( 0.349 2.153 -0.027) 2.182 3.870 ( 5.270 3.662 -6.735) 9.303 4.068 ( -6.397 -2.431 6.386) 9.360 4.224 ( -1.014 4.193 3.333) 5.451 4.365 ( 0.414 3.124 -5.251) 6.124 4.527 ( -5.950 -0.240 7.302) 9.422 4.589 ( 2.116 -1.544 0.771) 2.731 4.762 ( 0.253 -0.355 0.400) 0.592 4.973 ( 7.485 -3.516 -7.706) 11.304 5.217 ( 3.207 8.347 0.366) 8.949 5.794 ( -1.612 -0.921 -2.459) 3.082 6.140 ( 2.090 -5.570 -3.959) 7.147 6.918 ( 5.806 -6.897 2.618) 9.388 ======================= Grid point 132 (51/203) ======================= q-point: (-0.12 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -10.962 15.984 8.424) 21.133 0.852 ( -11.130 20.824 9.195) 25.339 1.174 ( -26.258 18.495 13.313) 34.768 1.695 ( 5.522 4.298 -1.310) 7.119 2.152 ( 4.218 12.619 -1.042) 13.346 2.808 ( -3.438 -0.656 4.268) 5.520 3.329 ( 1.293 6.408 -1.914) 6.812 3.540 ( -1.635 -1.292 -1.478) 2.555 3.747 ( 0.225 2.259 0.217) 2.280 3.894 ( -3.749 0.263 -5.279) 6.480 3.979 ( 0.323 6.745 -1.102) 6.842 4.233 ( 0.158 0.861 0.078) 0.878 4.313 ( -3.392 5.861 -5.025) 8.433 4.421 ( -6.106 0.181 2.678) 6.670 4.629 ( 1.229 -1.761 0.175) 2.155 4.800 ( 2.990 -1.794 5.278) 6.325 5.093 ( 9.375 -3.094 -7.541) 12.423 5.320 ( 8.915 8.228 -3.608) 12.657 5.735 ( -2.276 -1.837 -1.875) 3.475 6.147 ( 0.083 -3.923 -4.943) 6.312 7.043 ( 1.669 -14.061 12.229) 18.710 ======================= Grid point 133 (52/203) ======================= q-point: ( 0.00 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -6.781 14.864 8.635) 18.479 1.019 ( -7.950 18.519 5.610) 20.919 1.608 ( -0.733 25.590 2.593) 25.732 1.927 ( 4.350 7.294 4.085) 9.424 2.458 ( 0.280 10.737 -3.849) 11.410 2.795 ( -2.822 2.212 5.733) 6.762 3.485 ( 3.609 7.063 -3.615) 8.717 3.594 ( -1.284 6.537 0.639) 6.693 3.756 ( -3.176 0.862 -0.262) 3.302 3.830 ( 0.712 3.270 1.137) 3.534 4.098 ( 2.882 0.065 -1.355) 3.185 4.296 ( -0.325 2.470 2.623) 3.618 4.412 ( -2.332 7.579 -1.018) 7.994 4.512 ( 3.688 5.656 0.597) 6.778 4.611 ( 2.846 1.720 -2.600) 4.221 4.821 ( 1.738 -3.793 5.266) 6.718 5.128 ( 8.532 -5.936 -5.521) 11.769 5.414 ( -2.521 -0.462 -3.286) 4.167 5.654 ( 4.716 -6.339 -3.348) 8.581 6.028 ( -1.654 -3.748 -4.184) 5.856 6.750 ( -9.775 -10.547 7.302) 16.128 ======================= Grid point 134 (53/203) ======================= q-point: ( 0.12 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 1.127 13.763 4.336) 14.474 1.015 ( 5.492 15.356 5.259) 17.135 1.671 ( 5.242 19.624 1.717) 20.384 2.013 ( 2.238 5.128 3.743) 6.732 2.402 ( -3.656 9.148 -4.664) 10.899 2.774 ( -2.497 0.036 3.259) 4.105 3.533 ( 3.308 14.688 1.819) 15.166 3.587 ( 0.187 1.863 1.805) 2.601 3.736 ( 0.203 0.497 -1.662) 1.747 3.863 ( 2.104 4.017 0.830) 4.610 4.146 ( 2.625 -0.291 0.048) 2.642 4.265 ( -3.684 1.953 0.800) 4.246 4.373 ( -0.105 9.554 -2.312) 9.830 4.545 ( -0.757 -0.460 0.638) 1.092 4.693 ( 6.178 9.857 -1.062) 11.681 4.863 ( -1.587 -3.656 6.243) 7.407 5.205 ( 0.419 -5.421 0.531) 5.463 5.327 ( -3.016 1.804 -3.733) 5.127 5.742 ( 4.411 -6.092 -1.071) 7.597 5.975 ( 1.829 -3.643 -8.276) 9.226 6.596 ( -10.009 -15.633 3.983) 18.985 ======================= Grid point 135 (54/203) ======================= q-point: ( 0.25 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 7.466 8.170 4.172) 11.827 1.235 ( 15.281 8.581 0.033) 17.525 1.782 ( 4.853 11.391 1.087) 12.429 2.052 ( 1.447 5.638 0.093) 5.822 2.279 ( -6.601 8.733 -3.500) 11.493 2.749 ( -0.932 -1.556 -0.208) 1.826 3.598 ( 1.505 3.816 1.340) 4.315 3.657 ( 4.462 12.967 7.438) 15.601 3.718 ( -0.587 -0.062 -2.781) 2.843 3.894 ( 0.505 5.559 -0.016) 5.582 4.162 ( -3.642 0.178 3.078) 4.771 4.220 ( 1.763 2.502 -2.626) 4.033 4.383 ( 2.426 7.516 -2.056) 8.161 4.520 ( -1.858 -0.321 0.031) 1.886 4.760 ( -0.089 2.081 -1.133) 2.372 4.833 ( -4.071 9.418 6.949) 12.392 5.152 ( -6.799 -4.808 5.363) 9.905 5.282 ( -0.758 2.099 -2.615) 3.438 5.770 ( 0.388 -3.797 -0.922) 3.927 6.031 ( 7.327 -4.176 -6.049) 10.378 6.456 ( -5.346 -21.608 -2.283) 22.376 ======================= Grid point 136 (55/203) ======================= q-point: ( 0.38 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 7.556 5.549 3.281) 9.932 1.522 ( 16.416 3.658 -3.473) 17.174 1.800 ( -2.941 3.830 -1.392) 5.025 2.045 ( -5.720 5.498 0.780) 7.972 2.212 ( 4.803 10.901 -1.913) 12.065 2.748 ( 1.967 -0.834 -2.761) 3.491 3.593 ( -2.746 4.132 -3.188) 5.897 3.704 ( 1.194 -0.779 -1.323) 1.945 3.747 ( -0.551 8.133 5.725) 9.961 3.877 ( -1.804 9.363 -0.054) 9.536 4.117 ( -3.029 1.762 6.354) 7.256 4.266 ( 4.085 4.113 -1.575) 6.007 4.430 ( 3.815 4.294 -1.664) 5.980 4.489 ( -1.721 0.347 1.041) 2.041 4.681 ( -5.974 -0.070 2.765) 6.583 4.831 ( -0.779 11.378 1.719) 11.533 5.034 ( -9.952 -5.201 6.306) 12.879 5.267 ( 0.528 2.761 -1.504) 3.188 5.772 ( 1.479 -4.186 -3.599) 5.715 6.085 ( -1.479 -3.610 2.315) 4.536 6.419 ( 5.725 -20.988 -8.904) 23.507 ======================= Grid point 137 (56/203) ======================= q-point: (-0.50 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 0.936 5.612 3.730) 6.803 1.635 ( -2.171 4.105 -9.095) 10.212 1.815 ( 4.579 9.745 0.469) 10.777 1.932 ( -1.882 0.188 1.366) 2.334 2.331 ( 4.834 9.932 2.113) 11.246 2.784 ( 4.230 1.114 -5.444) 6.984 3.485 ( -4.668 7.000 -4.153) 9.383 3.684 ( -5.931 2.315 1.269) 6.492 3.747 ( 1.733 0.249 0.146) 1.757 3.846 ( -1.678 6.540 0.681) 6.786 4.117 ( -1.826 3.852 5.624) 7.058 4.339 ( 3.715 6.194 -0.131) 7.224 4.466 ( 0.056 -0.879 -1.455) 1.701 4.496 ( 1.159 3.923 4.820) 6.322 4.626 ( -0.773 -1.594 0.272) 1.792 4.809 ( -2.898 7.226 0.951) 7.843 4.885 ( -8.278 -5.572 3.139) 10.460 5.277 ( 1.066 4.325 -0.354) 4.468 5.780 ( 2.101 -3.542 -5.291) 6.704 6.035 ( -3.854 -8.316 1.501) 9.287 6.527 ( 9.215 -12.173 -4.746) 15.989 ======================= Grid point 138 (57/203) ======================= q-point: (-0.38 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -7.567 8.303 4.826) 12.226 1.538 ( -6.248 10.828 0.658) 12.518 1.749 ( -1.661 4.695 -7.521) 9.020 2.047 ( 4.168 7.604 1.705) 8.837 2.358 ( -2.403 13.166 1.992) 13.531 2.816 ( 1.641 2.432 -2.492) 3.849 3.452 ( 3.080 4.845 0.252) 5.747 3.565 ( -5.998 3.173 -1.691) 6.993 3.781 ( 1.583 2.046 -0.409) 2.619 3.831 ( 0.216 1.001 -0.107) 1.030 4.100 ( -2.618 3.067 2.511) 4.750 4.365 ( -1.912 3.214 2.068) 4.274 4.458 ( 0.639 2.083 -4.592) 5.082 4.532 ( 0.348 1.338 3.339) 3.614 4.622 ( -2.204 0.522 1.995) 3.018 4.740 ( -2.482 0.455 1.578) 2.976 4.833 ( 1.664 -4.244 -3.582) 5.797 5.304 ( 1.773 5.575 1.061) 5.946 5.774 ( 0.306 -4.860 -5.224) 7.141 5.997 ( 0.029 -7.161 -1.195) 7.261 6.667 ( 6.924 -7.107 1.609) 10.051 ======================= Grid point 139 (58/203) ======================= q-point: (-0.25 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -7.623 13.060 6.164) 16.330 1.372 ( -13.298 11.445 5.570) 18.408 1.743 ( 3.873 7.883 -4.215) 9.742 1.960 ( -13.190 18.313 1.175) 22.600 2.372 ( 4.410 14.289 -2.024) 15.091 2.823 ( -1.455 1.173 4.506) 4.879 3.468 ( -2.230 1.431 -3.804) 4.636 3.554 ( 4.612 8.008 2.662) 9.617 3.792 ( 0.234 2.285 0.286) 2.315 3.864 ( 3.061 -2.190 -1.220) 3.957 4.062 ( -1.873 2.336 0.019) 2.994 4.301 ( -4.840 0.907 -0.257) 4.931 4.429 ( 0.096 1.934 -5.032) 5.391 4.559 ( 1.400 -1.350 0.751) 2.085 4.581 ( -4.080 6.406 4.169) 8.664 4.740 ( 1.123 -2.404 -1.123) 2.881 4.881 ( 6.529 -4.642 -5.479) 9.706 5.355 ( 2.961 4.702 1.382) 5.726 5.726 ( -2.171 -6.308 -4.647) 8.130 6.017 ( 2.877 -5.143 -2.484) 6.395 6.784 ( 2.931 -5.637 6.481) 9.076 ======================= Grid point 140 (59/203) ======================= q-point: (-0.12 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -8.642 14.657 6.281) 18.138 1.168 ( -12.777 13.828 8.594) 20.696 1.705 ( -11.738 27.264 3.508) 29.890 1.827 ( 4.889 8.228 -0.927) 9.616 2.439 ( 3.764 13.120 -2.909) 13.956 2.813 ( -3.015 1.590 6.291) 7.155 3.445 ( 2.455 3.684 -4.454) 6.280 3.606 ( -0.048 8.249 1.356) 8.360 3.805 ( 0.678 2.930 0.144) 3.011 3.857 ( -4.888 -2.358 1.495) 5.629 4.061 ( 2.572 2.146 -2.860) 4.405 4.257 ( 1.468 1.409 0.036) 2.035 4.420 ( 0.828 1.354 -0.845) 1.798 4.518 ( -3.545 9.773 -0.546) 10.411 4.587 ( 1.490 -1.917 -0.468) 2.472 4.765 ( 1.609 -2.179 2.136) 3.449 4.995 ( 9.616 -5.690 -6.979) 13.174 5.416 ( 2.946 1.582 -0.642) 3.405 5.657 ( -1.907 -5.671 -4.258) 7.344 6.049 ( 1.618 -5.097 -2.748) 6.013 6.828 ( -3.449 -7.354 8.417) 11.697 ======================= Grid point 141 (60/203) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -5.090 13.833 5.141) 15.611 1.383 ( -4.224 16.432 2.388) 17.133 1.999 ( -1.861 9.273 -1.260) 9.542 2.143 ( 1.029 15.889 0.495) 15.930 2.623 ( 1.056 6.193 -4.777) 7.893 2.842 ( -5.259 1.562 3.885) 6.722 3.572 ( 4.989 2.386 0.493) 5.552 3.731 ( -4.087 2.343 0.738) 4.768 3.857 ( -0.025 5.744 -0.390) 5.757 3.915 ( 3.376 9.812 1.908) 10.551 4.094 ( 0.921 0.431 -0.862) 1.333 4.320 ( -0.727 0.445 1.372) 1.615 4.516 ( 1.390 -1.527 0.472) 2.118 4.579 ( 0.529 7.207 -0.201) 7.230 4.696 ( 6.503 1.699 0.399) 6.734 4.762 ( 3.176 -1.280 -0.627) 3.481 5.008 ( 6.848 -3.921 -1.842) 8.103 5.372 ( -2.656 -3.638 0.611) 4.545 5.520 ( 1.293 -6.312 -1.982) 6.741 5.939 ( -0.638 -3.958 -2.836) 4.910 6.576 ( -10.513 -7.384 -0.525) 12.858 ======================= Grid point 142 (61/203) ======================= q-point: ( 0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 0.990 13.697 1.075) 13.774 1.342 ( -0.105 15.771 0.944) 15.800 1.962 ( -1.641 7.870 -0.209) 8.042 2.192 ( 4.139 12.717 -1.578) 13.467 2.591 ( -2.899 9.521 -4.298) 10.841 2.755 ( -4.368 -2.026 1.182) 4.958 3.632 ( -0.549 2.026 3.121) 3.761 3.701 ( 1.110 1.395 -0.280) 1.804 3.855 ( 0.474 6.768 -0.450) 6.800 3.999 ( 3.766 12.034 4.331) 13.333 4.125 ( 2.536 -0.764 -0.120) 2.652 4.294 ( -2.374 0.993 -0.099) 2.575 4.499 ( -1.065 1.296 -1.883) 2.522 4.578 ( -0.673 4.110 0.492) 4.194 4.757 ( -0.560 -2.319 2.918) 3.769 4.893 ( 6.207 2.772 4.449) 8.125 5.099 ( 2.751 -1.730 2.022) 3.828 5.330 ( -2.091 -1.751 0.843) 2.855 5.564 ( 4.699 -10.459 -1.038) 11.513 5.915 ( 1.803 -2.087 -7.006) 7.529 6.335 ( -13.516 -9.747 -5.099) 17.427 ======================= Grid point 143 (62/203) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 4.099 12.712 -1.289) 13.418 1.424 ( 9.020 9.577 -1.965) 13.302 1.927 ( -2.435 4.875 0.447) 5.468 2.256 ( 2.480 11.234 -1.635) 11.620 2.463 ( -6.546 8.862 -2.432) 11.283 2.732 ( 1.505 0.335 -2.118) 2.620 3.634 ( -0.317 1.490 2.552) 2.972 3.708 ( -0.608 -0.152 -0.628) 0.888 3.864 ( -0.120 3.581 -0.172) 3.587 4.096 ( 2.906 12.193 6.674) 14.200 4.170 ( 1.310 1.885 -0.031) 2.295 4.250 ( -0.579 1.190 -1.062) 1.696 4.479 ( 0.217 2.283 -2.403) 3.322 4.558 ( -1.328 2.178 -0.875) 2.697 4.740 ( -3.363 -1.510 3.555) 5.122 4.938 ( -4.067 -4.630 4.298) 7.514 5.145 ( -1.134 7.806 8.421) 11.538 5.306 ( -0.299 -0.344 -1.969) 2.021 5.662 ( 3.638 -8.567 5.068) 10.598 5.955 ( 10.273 -3.540 -15.445) 18.884 6.062 ( -12.438 -13.142 -3.334) 18.399 ======================= Grid point 144 (63/203) ======================= q-point: ( 0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 6.277 8.917 -0.207) 10.907 1.609 ( 12.853 5.111 -5.544) 14.902 1.888 ( -1.745 5.205 1.742) 5.760 2.164 ( -10.411 4.587 0.002) 11.377 2.451 ( 4.718 12.398 -0.591) 13.278 2.769 ( 4.761 2.479 -4.936) 7.292 3.635 ( -2.847 1.010 2.522) 3.935 3.693 ( 0.958 -0.391 -1.407) 1.746 3.826 ( -3.816 0.843 -0.137) 3.911 4.120 ( -2.975 9.928 -2.557) 10.675 4.178 ( 0.627 3.828 5.861) 7.029 4.307 ( 5.018 1.177 0.528) 5.182 4.475 ( 0.648 2.263 -2.088) 3.147 4.525 ( -1.034 0.281 -2.356) 2.589 4.685 ( -5.061 0.579 4.899) 7.068 4.847 ( -6.823 -6.928 2.822) 10.125 5.111 ( -7.863 9.580 6.761) 14.118 5.317 ( 3.278 1.549 -3.390) 4.963 5.722 ( 1.018 0.135 -2.848) 3.027 5.849 ( -6.082 -21.245 -0.541) 22.105 6.134 ( 12.967 -3.742 -4.081) 14.099 ======================= Grid point 145 (64/203) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 2.366 7.187 1.127) 7.650 1.754 ( 5.418 7.051 -5.634) 10.527 1.945 ( 0.233 1.658 2.896) 3.346 1.984 ( -0.985 6.315 0.572) 6.417 2.536 ( 2.889 10.160 3.293) 11.064 2.843 ( 6.885 4.142 -6.926) 10.608 3.546 ( -7.281 0.327 1.277) 7.399 3.718 ( -0.271 0.323 -0.118) 0.437 3.760 ( -0.296 0.682 -1.471) 1.649 4.040 ( -3.633 10.435 -3.065) 11.467 4.206 ( -0.845 4.083 3.225) 5.271 4.377 ( 1.597 -1.901 -0.498) 2.532 4.472 ( 0.029 -0.624 -0.905) 1.100 4.500 ( 0.453 -1.304 -3.819) 4.061 4.635 ( -2.943 1.882 4.681) 5.841 4.761 ( -3.670 -4.330 1.758) 5.942 4.971 ( -8.732 6.796 0.194) 11.067 5.361 ( 2.600 3.193 -0.746) 4.184 5.653 ( -2.116 -11.236 -7.461) 13.653 5.851 ( 1.974 -5.307 3.645) 6.734 6.352 ( 10.722 -4.887 3.482) 12.287 ======================= Grid point 146 (65/203) ======================= q-point: (-0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -2.752 8.817 2.623) 9.602 1.745 ( -8.124 8.446 2.644) 12.013 1.856 ( 3.032 6.536 -3.946) 8.215 2.185 ( 10.586 5.016 1.561) 11.818 2.585 ( -0.029 9.329 4.716) 10.453 2.898 ( 1.022 5.171 -2.169) 5.700 3.441 ( -2.416 -2.220 -1.993) 3.839 3.683 ( -0.590 2.688 -1.304) 3.045 3.805 ( 3.717 0.657 -0.921) 3.886 3.959 ( -3.353 11.263 -2.431) 12.000 4.185 ( -2.162 4.747 -0.019) 5.216 4.342 ( -4.571 -3.913 1.115) 6.119 4.478 ( 0.945 -1.492 -3.785) 4.176 4.500 ( 2.064 -3.544 -2.900) 5.023 4.628 ( 0.810 -0.031 -2.025) 2.181 4.732 ( -1.631 -0.537 3.569) 3.961 4.842 ( -3.925 4.127 -1.691) 5.942 5.396 ( 1.201 3.013 0.806) 3.342 5.592 ( -1.113 -11.369 -4.036) 12.115 5.909 ( 2.935 -1.490 -0.215) 3.298 6.548 ( 6.789 -4.771 8.179) 11.651 ======================= Grid point 147 (66/203) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -4.034 11.065 3.181) 12.199 1.585 ( -10.330 9.839 4.318) 14.905 1.927 ( 4.867 8.798 -1.176) 10.123 2.288 ( -1.182 12.365 0.531) 12.433 2.606 ( 1.185 8.394 0.478) 8.490 2.875 ( -2.940 3.714 5.935) 7.593 3.440 ( 3.286 -2.265 -4.773) 6.222 3.710 ( 3.473 1.196 1.139) 3.846 3.860 ( 2.490 1.010 -1.169) 2.931 3.897 ( -2.076 11.593 -1.657) 11.894 4.144 ( -1.425 5.677 -1.886) 6.150 4.269 ( -2.498 -3.317 -0.518) 4.185 4.444 ( -0.367 0.090 -6.212) 6.224 4.528 ( 1.805 -1.636 -1.017) 2.640 4.649 ( 3.406 -5.214 -4.094) 7.453 4.729 ( -1.578 5.647 3.424) 6.790 4.820 ( 2.373 -0.979 -1.675) 3.065 5.413 ( -0.090 0.986 1.237) 1.585 5.556 ( -0.844 -8.914 -2.721) 9.359 5.948 ( 1.849 -1.830 -1.463) 2.985 6.679 ( 1.882 -5.088 8.530) 10.108 ======================= Grid point 148 (67/203) ======================= q-point: (-0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -7.019 12.490 4.315) 14.962 1.454 ( -6.581 13.677 4.745) 15.903 1.998 ( 2.829 7.201 -0.117) 7.737 2.194 ( -6.626 19.879 0.357) 20.957 2.624 ( 1.686 5.160 -3.930) 6.702 2.876 ( -2.253 3.611 7.004) 8.195 3.488 ( 4.682 0.926 -2.956) 5.614 3.776 ( 0.194 0.068 3.585) 3.590 3.857 ( -0.925 1.728 -0.729) 2.091 3.875 ( 0.660 11.003 -1.426) 11.114 4.107 ( -1.364 2.818 -1.690) 3.558 4.289 ( 3.334 1.681 1.192) 3.920 4.438 ( 4.774 0.328 -5.528) 7.311 4.554 ( 1.676 0.177 -0.493) 1.756 4.667 ( -0.689 -0.980 -0.444) 1.278 4.727 ( 1.672 2.708 -1.457) 3.500 4.895 ( 6.408 -3.329 -1.892) 7.465 5.406 ( -1.429 -2.326 0.936) 2.886 5.528 ( -0.514 -6.095 -2.203) 6.502 5.957 ( 0.219 -3.390 -1.679) 3.789 6.700 ( -4.375 -6.128 4.999) 9.038 ======================= Grid point 149 (68/203) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -3.452 11.407 1.686) 12.036 1.683 ( -3.103 12.284 2.371) 12.890 2.090 ( -0.649 2.199 -0.308) 2.313 2.468 ( -0.647 13.927 -2.985) 14.258 2.714 ( 1.459 1.292 -0.760) 2.092 2.859 ( -5.225 1.096 1.119) 5.455 3.602 ( 3.813 0.870 2.991) 4.924 3.760 ( -2.262 1.227 0.397) 2.604 3.859 ( 1.629 -1.779 0.948) 2.592 4.135 ( -0.000 3.232 -1.861) 3.730 4.193 ( 5.606 10.974 -1.381) 12.400 4.323 ( -0.924 0.454 0.921) 1.381 4.485 ( 3.805 -1.310 -2.446) 4.709 4.613 ( 1.152 -1.928 -0.627) 2.331 4.728 ( 1.495 -1.188 -3.679) 4.145 4.769 ( 3.096 4.571 -0.070) 5.522 5.006 ( 8.922 2.423 2.641) 9.615 5.262 ( -3.828 -6.645 0.699) 7.700 5.424 ( -0.948 -2.387 0.828) 2.699 5.885 ( -0.971 -1.269 -1.282) 2.049 6.418 ( -9.886 -8.393 -2.643) 13.235 ======================= Grid point 150 (69/203) ======================= q-point: ( 0.12 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 1.323 11.316 -0.743) 11.417 1.634 ( -2.675 11.950 -0.105) 12.246 2.063 ( -1.864 3.719 -0.407) 4.180 2.470 ( 1.785 12.716 -2.848) 13.152 2.692 ( -4.612 -3.710 -0.108) 5.920 2.786 ( -0.595 9.025 -2.180) 9.304 3.656 ( -0.443 0.166 4.468) 4.493 3.724 ( -1.074 1.374 -0.609) 1.847 3.890 ( 0.682 -1.316 0.674) 1.628 4.125 ( 0.451 1.589 -0.859) 1.862 4.297 ( 4.712 12.351 1.717) 13.330 4.311 ( -0.782 0.867 0.129) 1.175 4.521 ( 0.954 0.964 0.019) 1.356 4.605 ( -1.665 -0.219 -0.281) 1.703 4.688 ( -2.465 -4.960 -0.235) 5.543 4.861 ( 3.622 -2.092 0.531) 4.217 5.173 ( 6.415 2.892 -3.762) 7.979 5.230 ( 0.340 -7.388 10.451) 12.803 5.403 ( -1.753 -1.952 0.745) 2.727 5.887 ( 3.244 -0.812 -3.863) 5.109 6.179 ( -12.281 -6.070 -8.615) 16.183 ======================= Grid point 151 (70/203) ======================= q-point: ( 0.25 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 3.483 11.545 -3.521) 12.562 1.618 ( 3.212 9.005 -2.666) 9.926 2.027 ( -1.774 4.885 -0.041) 5.197 2.410 ( -8.525 2.486 -0.553) 8.897 2.657 ( 3.470 10.096 -2.456) 10.954 2.789 ( 1.901 5.874 -3.101) 6.909 3.655 ( -1.384 0.301 3.055) 3.367 3.707 ( -1.244 0.082 0.091) 1.250 3.881 ( -1.855 -0.811 -0.526) 2.092 4.147 ( 2.057 -0.906 0.455) 2.293 4.292 ( -1.303 3.226 -0.144) 3.482 4.361 ( 0.447 7.942 2.247) 8.266 4.526 ( -0.574 0.762 0.067) 0.956 4.561 ( -1.475 -0.005 -3.527) 3.823 4.646 ( -3.755 -6.540 5.719) 9.465 4.870 ( -2.498 -0.416 0.348) 2.557 5.220 ( 4.836 -7.089 -4.229) 9.567 5.334 ( -4.976 6.371 15.744) 17.698 5.401 ( 3.725 -11.951 0.584) 12.531 5.909 ( -8.727 -0.084 -12.827) 15.514 5.965 ( 7.544 0.042 -3.933) 8.508 ======================= Grid point 152 (71/203) ======================= q-point: ( 0.38 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 2.864 9.445 -2.635) 10.216 1.729 ( 10.578 6.214 -5.593) 13.483 2.005 ( -0.711 5.530 0.766) 5.628 2.222 ( -10.481 1.501 -0.080) 10.588 2.722 ( 2.760 13.978 0.034) 14.248 2.830 ( 6.430 2.980 -6.520) 9.630 3.633 ( -4.565 -1.452 3.343) 5.841 3.689 ( 0.773 0.131 -0.994) 1.266 3.823 ( -3.488 -0.457 -1.109) 3.689 4.196 ( 2.562 -1.879 1.034) 3.341 4.260 ( -1.682 5.300 -1.430) 5.741 4.340 ( -2.786 -0.421 0.271) 2.831 4.466 ( -5.180 -7.257 -0.824) 8.955 4.541 ( -0.105 3.226 -0.349) 3.247 4.633 ( -0.537 -1.649 3.148) 3.594 4.813 ( -3.314 2.784 0.565) 4.365 5.232 ( -8.321 -1.665 5.489) 10.107 5.321 ( 3.489 0.090 -1.247) 3.706 5.430 ( -1.259 -14.859 -2.366) 15.098 5.786 ( 0.489 5.407 -0.088) 5.430 6.112 ( 10.159 0.254 -2.292) 10.418 ======================= Grid point 153 (72/203) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 2.329 6.565 -1.325) 7.091 1.895 ( 9.691 6.015 -4.720) 12.344 1.994 ( -3.944 2.907 0.692) 4.948 2.096 ( 0.674 4.891 1.301) 5.106 2.750 ( 0.590 10.530 1.159) 10.610 2.932 ( 8.292 4.194 -7.378) 11.865 3.521 ( -8.634 -2.720 1.267) 9.140 3.713 ( 0.570 -0.652 0.101) 0.872 3.772 ( 0.168 0.813 -1.686) 1.879 4.212 ( -1.789 4.873 -1.327) 5.358 4.231 ( -0.816 -1.275 -0.821) 1.722 4.306 ( 0.258 -4.041 -1.615) 4.359 4.375 ( -2.876 -7.439 -0.447) 7.989 4.530 ( -0.979 3.663 -0.544) 3.830 4.641 ( 0.229 -1.496 -1.790) 2.344 4.764 ( -3.157 3.959 2.736) 5.755 5.061 ( -9.695 0.854 -0.282) 9.736 5.382 ( 2.494 -4.376 -0.809) 5.102 5.395 ( 0.493 -6.619 -3.083) 7.318 5.851 ( 3.333 3.533 4.010) 6.299 6.290 ( 8.409 -2.009 4.420) 9.709 ======================= Grid point 154 (73/203) ======================= q-point: (-0.38 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 0.389 6.635 -0.481) 6.664 1.887 ( -6.485 6.269 1.491) 9.142 2.000 ( 4.518 6.066 -1.202) 7.659 2.249 ( 11.309 1.528 1.410) 11.499 2.766 ( 0.135 8.601 1.364) 8.709 3.002 ( 1.236 4.315 -2.240) 5.016 3.384 ( -3.412 -3.426 -4.337) 6.495 3.699 ( -0.552 -0.035 -0.367) 0.664 3.816 ( 3.893 0.564 -0.833) 4.021 4.161 ( -2.362 5.666 -4.053) 7.356 4.196 ( -1.349 -5.314 -0.383) 5.496 4.287 ( -0.415 -0.677 -1.835) 2.000 4.409 ( 5.220 -0.716 -0.706) 5.317 4.497 ( -1.710 1.777 -2.350) 3.407 4.607 ( -1.003 -2.893 -5.784) 6.544 4.740 ( -1.207 2.579 3.273) 4.338 4.928 ( -4.782 3.215 -0.201) 5.765 5.383 ( -0.032 -7.579 -0.495) 7.595 5.419 ( 1.052 -1.173 -0.491) 1.651 5.919 ( 2.191 2.427 1.246) 3.499 6.453 ( 4.897 -4.846 8.976) 11.316 ======================= Grid point 155 (74/203) ======================= q-point: (-0.25 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -0.918 8.336 -0.314) 8.392 1.788 ( -6.001 9.881 3.583) 12.103 2.059 ( 2.292 3.656 0.429) 4.337 2.442 ( 8.174 2.650 0.599) 8.614 2.749 ( -3.366 6.263 0.647) 7.139 2.958 ( -4.533 3.714 4.693) 7.507 3.388 ( 6.745 -2.275 -7.421) 10.283 3.709 ( 1.869 0.079 -0.101) 1.873 3.868 ( 1.474 -0.481 -0.198) 1.563 4.096 ( -0.632 4.915 -6.059) 7.828 4.184 ( -0.455 -2.467 0.810) 2.636 4.293 ( 2.217 5.000 -1.731) 5.737 4.445 ( -0.294 0.335 -7.160) 7.173 4.511 ( 5.751 0.352 -0.938) 5.837 4.579 ( 2.127 0.365 -4.406) 4.906 4.761 ( 1.487 -0.450 3.472) 3.803 4.863 ( -2.895 3.406 -0.011) 4.470 5.371 ( -1.541 -5.572 0.271) 5.787 5.426 ( 0.113 -2.783 0.131) 2.789 5.941 ( -0.076 1.299 -0.292) 1.334 6.556 ( 0.318 -7.249 8.487) 11.166 ======================= Grid point 156 (75/203) ======================= q-point: (-0.12 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -3.904 10.154 0.840) 10.911 1.722 ( -3.842 12.045 4.317) 13.359 2.088 ( 0.760 1.796 0.234) 1.964 2.512 ( -0.703 10.491 -1.413) 10.609 2.695 ( -0.320 2.448 -0.592) 2.538 2.921 ( -3.396 0.660 4.216) 5.453 3.495 ( 7.105 0.444 -1.613) 7.300 3.757 ( 2.261 -0.275 1.326) 2.636 3.858 ( -1.660 -1.147 -0.265) 2.035 4.095 ( 4.264 7.327 -5.372) 10.036 4.175 ( -0.752 2.374 -0.591) 2.559 4.326 ( 0.299 2.131 1.917) 2.882 4.430 ( 4.697 -0.368 -9.075) 10.225 4.578 ( 3.202 -4.506 -1.990) 5.875 4.644 ( 5.744 8.915 -1.580) 10.722 4.801 ( -2.257 2.419 -0.245) 3.317 4.854 ( 5.479 -1.172 1.972) 5.940 5.327 ( -3.472 -5.096 0.615) 6.197 5.428 ( -0.075 -3.399 0.409) 3.424 5.919 ( -1.748 -0.178 -0.543) 1.839 6.551 ( -5.037 -8.645 3.880) 10.732 ======================= Grid point 157 (76/203) ======================= q-point: ( 0.00 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -2.283 7.827 0.288) 8.158 1.839 ( -3.219 1.927 2.505) 4.511 2.176 ( 0.461 7.404 0.057) 7.419 2.629 ( 1.444 -4.303 -1.070) 4.664 2.721 ( -3.556 6.461 0.178) 7.377 2.885 ( 0.923 0.253 3.175) 3.316 3.629 ( 2.275 1.917 2.065) 3.621 3.786 ( -0.691 1.139 -0.350) 1.377 3.833 ( 1.379 -0.318 0.726) 1.590 4.168 ( -1.193 -1.891 -1.228) 2.551 4.266 ( 4.656 1.214 -2.079) 5.241 4.385 ( 5.632 1.754 -7.688) 9.690 4.482 ( 2.404 2.191 -1.585) 3.618 4.593 ( 3.968 -0.283 -0.335) 3.992 4.763 ( -4.540 4.234 -0.842) 6.265 4.797 ( 0.335 -1.141 -0.164) 1.200 5.029 ( 5.855 -2.178 -0.367) 6.257 5.145 ( -1.541 -3.581 -3.940) 5.543 5.446 ( 1.640 4.391 5.896) 7.532 5.885 ( -3.718 1.366 1.200) 4.138 6.230 ( -7.669 -9.461 -1.440) 12.264 ======================= Grid point 158 (77/203) ======================= q-point: ( 0.12 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 1.113 7.974 -1.007) 8.114 1.800 ( -1.974 3.669 -0.247) 4.174 2.159 ( -2.023 5.976 0.097) 6.310 2.560 ( -8.276 -4.793 0.763) 9.594 2.720 ( 4.667 6.819 -3.585) 9.008 2.947 ( 2.722 6.179 2.789) 7.305 3.650 ( -1.403 -0.324 3.709) 3.979 3.758 ( -1.799 1.643 -0.546) 2.496 3.860 ( 0.798 -0.432 1.329) 1.609 4.129 ( -1.831 -2.543 -1.885) 3.657 4.327 ( 2.948 1.121 -0.088) 3.155 4.436 ( 1.767 0.109 -3.712) 4.112 4.521 ( 1.981 1.821 0.980) 2.864 4.577 ( -5.909 -2.235 -0.344) 6.327 4.719 ( 0.092 7.337 -2.134) 7.642 4.809 ( 3.299 -3.162 -3.771) 5.925 5.031 ( -4.249 -7.620 5.404) 10.262 5.179 ( 6.515 -3.401 -6.615) 9.888 5.485 ( -3.677 6.616 10.770) 13.164 5.876 ( 3.763 -0.266 -2.500) 4.525 6.070 ( -6.976 -4.512 -5.785) 10.123 ======================= Grid point 159 (78/203) ======================= q-point: ( 0.25 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 3.809 7.626 -3.904) 9.376 1.771 ( 0.723 5.094 -2.464) 5.704 2.119 ( -2.000 3.830 -0.266) 4.329 2.397 ( -9.357 -2.258 0.066) 9.626 2.799 ( 6.287 3.662 -4.918) 8.782 2.996 ( 1.341 12.268 1.244) 12.404 3.632 ( -3.048 -2.487 3.861) 5.512 3.720 ( -1.873 1.012 -0.488) 2.184 3.869 ( -0.740 0.680 0.295) 1.048 4.098 ( -0.168 -4.548 -0.454) 4.574 4.368 ( 1.038 3.224 -1.664) 3.774 4.380 ( -4.925 -5.195 -0.430) 7.172 4.430 ( -8.987 -3.942 -0.704) 9.839 4.572 ( 2.404 3.074 1.763) 4.282 4.684 ( -1.352 2.740 -4.257) 5.240 4.865 ( 2.909 0.036 -2.209) 3.653 5.012 ( -1.520 -8.189 7.385) 11.131 5.249 ( 4.935 -4.712 -5.463) 8.740 5.439 ( -7.994 3.010 11.241) 14.118 5.930 ( -3.107 1.786 -1.794) 4.008 5.988 ( 8.768 1.233 -7.639) 11.694 ======================= Grid point 160 (79/203) ======================= q-point: ( 0.38 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -0.277 6.100 -2.734) 6.690 1.847 ( 9.262 4.841 -6.679) 12.403 2.087 ( -1.384 2.061 -0.702) 2.580 2.246 ( -6.587 1.185 -0.095) 6.694 2.878 ( 6.159 1.655 -7.025) 9.488 3.016 ( 0.730 13.908 -0.200) 13.929 3.570 ( -6.223 -4.563 2.446) 8.095 3.697 ( -0.361 0.396 -0.072) 0.541 3.836 ( -1.910 2.433 -1.500) 3.438 4.130 ( 3.239 -5.143 1.525) 6.267 4.235 ( -8.127 -10.686 -2.467) 13.650 4.291 ( -5.076 -2.302 -0.747) 5.624 4.375 ( -0.544 4.692 -1.554) 4.973 4.608 ( 0.270 1.033 -0.472) 1.168 4.640 ( -0.710 0.778 -2.779) 2.972 4.872 ( -0.987 2.485 1.340) 2.991 5.034 ( -2.690 -8.992 8.368) 12.575 5.294 ( 3.181 -2.849 -4.817) 6.437 5.357 ( -4.838 1.265 4.563) 6.769 5.902 ( 0.433 4.872 1.910) 5.251 6.125 ( 8.820 0.659 -3.725) 9.597 ======================= Grid point 161 (80/203) ======================= q-point: (-0.50 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 0.803 4.230 -2.641) 5.051 1.986 ( 9.268 2.807 -5.944) 11.363 2.052 ( -2.042 2.424 -0.276) 3.181 2.184 ( 0.155 3.354 -0.025) 3.358 2.931 ( 4.017 5.242 -7.154) 9.737 3.032 ( 2.509 6.779 -3.239) 7.921 3.438 ( -8.715 -5.055 0.377) 10.082 3.697 ( -0.141 -0.739 0.304) 0.812 3.811 ( 0.824 3.326 -2.020) 3.978 4.097 ( -4.551 -9.002 -2.546) 10.404 4.228 ( 2.117 -3.869 -1.483) 4.653 4.233 ( 3.227 -3.007 2.155) 4.909 4.339 ( -1.883 4.792 -2.260) 5.623 4.568 ( -1.908 -5.570 -4.980) 7.712 4.622 ( -1.538 4.497 0.077) 4.754 4.859 ( -2.580 4.220 4.826) 6.911 5.002 ( -4.186 -4.434 4.626) 7.654 5.289 ( -0.724 -1.470 -0.755) 1.804 5.356 ( 2.243 -1.617 -2.057) 3.447 5.949 ( 2.069 5.102 4.475) 7.095 6.250 ( 5.801 -1.987 1.001) 6.213 ======================= Grid point 162 (81/203) ======================= q-point: (-0.38 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 1.927 3.612 -2.620) 4.860 2.009 ( -2.037 5.124 0.530) 5.540 2.082 ( 2.651 2.065 -1.742) 3.785 2.261 ( 7.916 -0.058 0.328) 7.923 2.929 ( -0.741 6.874 -4.271) 8.126 3.061 ( 1.567 1.274 -3.812) 4.314 3.308 ( -2.204 -3.539 -3.858) 5.680 3.697 ( 0.463 -0.122 -0.190) 0.515 3.832 ( 1.669 0.922 -1.285) 2.299 4.049 ( 0.976 -5.787 -2.365) 6.327 4.228 ( 1.774 -0.300 -2.310) 2.928 4.295 ( -0.966 3.216 -2.494) 4.183 4.385 ( 8.262 -1.988 2.435) 8.840 4.502 ( -0.239 -5.669 -7.644) 9.520 4.581 ( -2.720 4.092 -0.179) 4.917 4.834 ( -3.177 4.394 5.227) 7.531 4.962 ( -2.170 0.791 1.079) 2.549 5.279 ( -0.164 -2.835 -0.471) 2.878 5.374 ( 0.760 -2.638 -1.357) 3.063 6.005 ( 0.970 5.505 3.289) 6.485 6.341 ( 2.005 -5.949 5.544) 8.375 ======================= Grid point 163 (82/203) ======================= q-point: (-0.25 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 1.660 4.366 -2.668) 5.379 1.966 ( -4.612 5.938 4.200) 8.612 2.105 ( 1.693 2.603 -0.832) 3.215 2.425 ( 8.795 -3.301 1.051) 9.453 2.856 ( -4.512 3.679 -2.569) 6.364 3.007 ( -5.766 1.050 2.376) 6.324 3.368 ( 10.795 0.299 -7.720) 13.275 3.719 ( 2.264 0.776 -0.519) 2.449 3.837 ( -0.341 -2.267 -0.478) 2.342 4.092 ( 4.620 -1.184 -3.141) 5.711 4.230 ( 0.113 3.975 -3.613) 5.373 4.315 ( 4.427 -0.609 -1.655) 4.765 4.421 ( 0.600 -3.189 -6.444) 7.215 4.527 ( -2.251 2.116 -0.040) 3.090 4.616 ( 11.689 -0.731 -1.223) 11.776 4.817 ( -0.850 4.793 2.338) 5.401 4.923 ( -2.784 3.361 0.260) 4.372 5.266 ( -1.385 -4.139 -0.350) 4.378 5.374 ( -0.093 -2.410 0.446) 2.453 6.011 ( -1.920 5.741 1.736) 6.298 6.380 ( -1.893 -9.579 6.739) 11.864 ======================= Grid point 164 (83/203) ======================= q-point: (-0.12 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -0.820 6.206 -1.781) 6.508 1.896 ( -5.763 2.999 5.628) 8.595 2.144 ( 2.682 6.129 -0.450) 6.705 2.568 ( 6.014 -4.262 -0.133) 7.372 2.771 ( -3.458 4.461 0.513) 5.668 2.916 ( -5.243 -0.655 2.336) 5.777 3.529 ( 8.818 2.628 -2.318) 9.488 3.766 ( 2.755 0.846 -0.196) 2.888 3.824 ( -0.580 -1.720 -0.280) 1.836 4.158 ( 4.155 -1.784 -2.689) 5.261 4.217 ( 1.567 4.434 -4.377) 6.425 4.357 ( 2.295 -0.330 -5.664) 6.120 4.449 ( 4.485 1.703 -4.421) 6.523 4.513 ( 2.359 -0.833 -0.055) 2.502 4.773 ( 1.852 -3.745 4.214) 5.934 4.849 ( -1.675 7.734 -0.715) 7.946 4.885 ( 7.421 3.543 -4.827) 9.535 5.217 ( -3.672 -5.011 -0.591) 6.240 5.391 ( 1.125 -0.317 2.961) 3.183 5.960 ( -4.571 4.438 1.618) 6.574 6.345 ( -5.474 -11.074 3.737) 12.906 ======================= Grid point 165 (84/203) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -5.660 0.000 5.296) 7.751 1.802 ( 1.505 -0.000 -2.602) 3.006 2.307 ( -0.685 0.000 -0.546) 0.876 2.525 ( 0.236 -0.000 1.440) 1.459 2.818 ( -3.146 0.000 -1.541) 3.504 2.868 ( 4.282 -0.000 6.125) 7.474 3.655 ( 1.315 0.000 1.058) 1.688 3.799 ( -0.068 0.000 -0.515) 0.520 3.840 ( 2.165 0.000 0.926) 2.355 4.120 ( -1.336 0.000 -2.058) 2.454 4.295 ( 2.204 -0.000 -1.631) 2.742 4.384 ( 8.194 0.000 -12.664) 15.083 4.528 ( 0.396 0.000 1.368) 1.424 4.591 ( 4.281 0.000 -0.143) 4.283 4.756 ( 1.339 0.000 -0.893) 1.610 4.855 ( -3.455 -0.000 -1.995) 3.990 4.964 ( -2.176 0.000 4.952) 5.409 5.112 ( 2.394 0.000 -10.077) 10.357 5.516 ( 5.512 0.000 5.123) 7.526 5.924 ( -9.524 0.000 4.995) 10.755 6.095 ( -3.602 -0.000 -1.602) 3.943 ======================= Grid point 167 (85/203) ======================= q-point: ( 0.12 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -0.156 0.000 1.284) 1.293 1.810 ( 0.775 0.000 -2.245) 2.375 2.252 ( -4.460 0.000 -0.245) 4.466 2.480 ( -5.759 -0.000 1.373) 5.920 2.795 ( 2.301 0.000 -4.062) 4.669 3.015 ( 6.474 0.000 7.607) 9.989 3.648 ( -2.598 0.000 1.792) 3.156 3.774 ( -2.153 -0.000 -0.241) 2.166 3.878 ( 1.061 0.000 2.507) 2.722 4.066 ( -2.690 0.000 -3.448) 4.373 4.347 ( 3.847 -0.000 -0.849) 3.940 4.418 ( 0.917 0.000 -8.281) 8.332 4.555 ( -3.221 -0.000 1.388) 3.507 4.564 ( -2.251 -0.000 1.909) 2.951 4.748 ( -0.148 0.000 -6.755) 6.756 4.845 ( 3.661 0.000 -4.084) 5.485 4.934 ( -4.365 0.000 9.642) 10.584 5.127 ( 5.186 0.000 -8.530) 9.983 5.568 ( -6.677 0.000 10.990) 12.859 5.875 ( 4.935 0.000 -2.969) 5.759 6.015 ( -3.436 0.000 -2.719) 4.382 ======================= Grid point 169 (86/203) ======================= q-point: ( 0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -0.567 -0.000 -2.086) 2.162 1.808 ( 5.500 0.000 -4.377) 7.029 2.165 ( -4.537 0.000 -0.014) 4.537 2.364 ( -6.689 -0.000 0.123) 6.690 2.835 ( 4.644 0.000 -5.224) 6.990 3.156 ( 4.237 0.000 4.845) 6.436 3.589 ( -5.162 0.000 2.166) 5.598 3.731 ( -2.319 -0.000 0.340) 2.344 3.919 ( 1.854 -0.000 2.994) 3.521 3.991 ( -2.854 0.000 -3.996) 4.911 4.308 ( -7.696 -0.000 -5.445) 9.427 4.383 ( -4.604 0.000 0.367) 4.618 4.431 ( -1.037 -0.000 -0.996) 1.438 4.618 ( 3.024 0.000 1.617) 3.429 4.672 ( -3.188 0.000 -7.209) 7.882 4.886 ( 2.740 0.000 -3.261) 4.259 4.936 ( -2.886 0.000 11.390) 11.750 5.192 ( 6.240 0.000 -6.094) 8.722 5.467 ( -9.611 0.000 10.379) 14.145 5.956 ( -1.626 -0.000 -0.627) 1.742 6.000 ( 9.862 0.000 -5.967) 11.526 ======================= Grid point 171 (87/203) ======================= q-point: ( 0.38 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -1.470 0.000 -2.233) 2.673 1.903 ( 8.688 0.000 -8.010) 11.817 2.101 ( -2.264 0.000 -0.295) 2.283 2.263 ( -3.944 0.000 -0.665) 4.000 2.895 ( 6.068 0.000 -7.102) 9.341 3.205 ( -0.272 0.000 -0.826) 0.869 3.488 ( -7.386 -0.000 2.291) 7.733 3.700 ( -1.364 0.000 0.770) 1.567 3.927 ( -1.339 0.000 -3.569) 3.812 3.974 ( 1.302 -0.000 2.118) 2.486 4.140 ( -5.163 0.000 -3.634) 6.314 4.267 ( -5.102 0.000 0.035) 5.102 4.449 ( 1.316 0.000 -2.344) 2.688 4.562 ( -4.905 0.000 -4.630) 6.745 4.673 ( 1.779 0.000 0.725) 1.921 4.910 ( 1.823 -0.000 -1.485) 2.351 4.940 ( -5.023 0.000 13.454) 14.361 5.262 ( 4.622 0.000 -5.464) 7.157 5.369 ( -5.760 0.000 5.317) 7.839 5.956 ( 0.700 0.000 3.451) 3.521 6.132 ( 8.047 0.000 -5.145) 9.551 ======================= Grid point 173 (88/203) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -0.017 0.000 -2.823) 2.823 2.014 ( 7.707 0.000 -6.556) 10.118 2.080 ( 0.113 0.000 -0.537) 0.548 2.220 ( -0.093 0.000 -1.176) 1.179 2.974 ( 8.124 0.000 -9.726) 12.672 3.143 ( -3.972 0.000 -5.553) 6.828 3.358 ( -7.978 0.000 2.371) 8.323 3.688 ( -0.404 0.000 0.482) 0.628 3.917 ( 2.524 -0.000 -2.653) 3.661 3.922 ( -4.383 0.000 -2.686) 5.140 4.177 ( 7.459 0.000 1.925) 7.703 4.215 ( -0.836 -0.000 -0.033) 0.837 4.440 ( -0.339 0.000 -3.621) 3.637 4.448 ( -4.907 -0.000 -3.036) 5.770 4.678 ( -1.331 0.000 -0.235) 1.351 4.910 ( -6.315 0.000 11.856) 13.433 4.945 ( 2.324 0.000 0.471) 2.372 5.273 ( -0.427 0.000 -2.525) 2.561 5.340 ( 0.546 0.000 -0.878) 1.034 6.014 ( 2.041 0.000 6.751) 7.053 6.222 ( 4.300 -0.000 -2.700) 5.077 ======================= Grid point 175 (89/203) ======================= q-point: (-0.38 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 2.213 0.000 -3.415) 4.069 2.068 ( 0.088 0.000 -1.578) 1.581 2.100 ( 2.530 -0.000 -0.388) 2.559 2.257 ( 5.023 0.000 -0.754) 5.079 3.019 ( -5.339 0.000 -6.536) 8.439 3.059 ( 4.924 -0.000 -7.317) 8.819 3.265 ( -0.424 0.000 -1.102) 1.181 3.696 ( 1.204 0.000 0.014) 1.204 3.844 ( -2.396 -0.000 -2.466) 3.439 3.985 ( 5.937 0.000 -1.508) 6.126 4.227 ( 2.286 -0.000 -0.755) 2.407 4.351 ( 1.344 0.000 2.780) 3.087 4.371 ( 7.468 0.000 -5.378) 9.203 4.400 ( -1.271 0.000 -4.327) 4.510 4.635 ( -2.969 0.000 -0.022) 2.969 4.864 ( -4.389 0.000 7.221) 8.450 4.985 ( 1.176 0.000 0.990) 1.537 5.249 ( -0.709 0.000 -2.002) 2.124 5.342 ( 0.211 0.000 -1.190) 1.209 6.093 ( 1.707 0.000 7.390) 7.585 6.250 ( -0.572 -0.000 0.339) 0.665 ======================= Grid point 177 (90/203) ======================= q-point: (-0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 2.651 0.000 -3.484) 4.378 2.009 ( -6.279 0.000 2.826) 6.886 2.170 ( 5.166 0.000 0.094) 5.167 2.366 ( 6.216 -0.000 0.514) 6.237 2.892 ( -4.718 0.000 -4.037) 6.210 3.015 ( -6.005 -0.000 1.614) 6.218 3.377 ( 13.060 0.000 -7.673) 15.147 3.732 ( 2.677 0.000 -0.220) 2.686 3.804 ( -0.648 -0.000 -1.733) 1.850 4.085 ( 4.609 0.000 -0.291) 4.618 4.288 ( 4.556 -0.000 -1.981) 4.968 4.314 ( 1.563 0.000 -8.105) 8.254 4.359 ( 0.816 0.000 -4.332) 4.409 4.576 ( 9.933 -0.000 2.355) 10.208 4.580 ( -3.046 0.000 0.592) 3.103 4.854 ( 1.294 -0.000 0.286) 1.325 4.989 ( -1.418 -0.000 0.727) 1.593 5.215 ( -1.953 0.000 -2.045) 2.828 5.345 ( 0.557 0.000 1.320) 1.432 6.148 ( -0.000 0.000 5.315) 5.315 6.203 ( -5.818 -0.000 3.179) 6.630 ======================= Grid point 179 (91/203) ======================= q-point: (-0.12 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 2.028 0.000 -3.093) 3.698 1.898 ( -8.174 0.000 5.689) 9.959 2.268 ( 4.721 0.000 0.124) 4.722 2.470 ( 4.512 -0.000 0.842) 4.590 2.821 ( -1.507 0.000 0.896) 1.754 2.909 ( -6.279 -0.000 1.402) 6.434 3.565 ( 9.530 0.000 -2.851) 9.947 3.779 ( 2.353 0.000 -0.401) 2.387 3.802 ( 1.457 -0.000 -1.051) 1.797 4.132 ( 1.027 -0.000 -0.629) 1.204 4.292 ( -0.238 -0.000 -2.609) 2.620 4.322 ( 6.041 0.000 -12.406) 13.799 4.455 ( 9.194 0.000 -2.824) 9.618 4.540 ( -1.721 0.000 1.266) 2.136 4.712 ( 2.709 0.000 4.754) 5.471 4.920 ( 6.668 -0.000 -5.789) 8.831 4.940 ( -4.148 0.000 0.026) 4.148 5.156 ( -2.379 0.000 -3.298) 4.067 5.395 ( 3.627 0.000 4.118) 5.487 6.081 ( -10.049 0.000 5.275) 11.349 6.150 ( -2.157 -0.000 1.717) 2.757 ======================= Grid point 221 (92/203) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -7.044 0.000 11.226) 13.253 0.828 ( 3.314 0.000 14.398) 14.774 1.251 ( -9.857 0.000 21.896) 24.013 1.971 ( 10.810 0.000 10.138) 14.820 2.095 ( 2.532 0.000 2.311) 3.428 2.871 ( -3.478 0.000 7.106) 7.911 3.153 ( -2.509 0.000 -3.474) 4.285 3.466 ( 6.892 0.000 -3.503) 7.731 3.679 ( -0.942 0.000 0.993) 1.369 3.743 ( 0.136 0.000 0.701) 0.715 3.892 ( -4.639 0.000 3.394) 5.748 4.140 ( -1.504 0.000 -2.364) 2.802 4.160 ( 1.334 0.000 -1.613) 2.093 4.387 ( -4.445 0.000 1.613) 4.729 4.623 ( -1.207 0.000 -0.656) 1.373 5.025 ( -0.424 0.000 -9.972) 9.981 5.076 ( 11.601 0.000 -4.783) 12.548 5.166 ( 1.117 0.000 2.800) 3.014 5.703 ( 5.548 0.000 -5.686) 7.945 6.145 ( -3.958 0.000 4.359) 5.888 7.436 ( -3.628 0.000 1.959) 4.123 ======================= Grid point 222 (93/203) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 9.519 0.000 11.090) 14.614 1.017 ( 8.917 0.000 9.176) 12.795 1.222 ( -5.488 0.000 16.002) 16.917 2.111 ( -2.406 0.000 1.043) 2.623 2.120 ( 0.026 0.000 2.707) 2.708 2.914 ( 2.532 0.000 9.881) 10.200 3.100 ( -1.032 0.000 -2.244) 2.470 3.600 ( 8.031 0.000 -8.142) 11.437 3.675 ( -0.040 0.000 1.105) 1.106 3.757 ( 0.833 0.000 0.768) 1.133 3.888 ( 2.282 0.000 3.918) 4.534 4.111 ( -0.442 0.000 -1.226) 1.303 4.224 ( 6.992 0.000 -2.002) 7.273 4.343 ( -1.451 0.000 2.592) 2.970 4.589 ( -2.004 0.000 -0.043) 2.004 4.923 ( -4.604 0.000 -6.920) 8.312 5.195 ( 0.494 0.000 1.796) 1.863 5.242 ( 8.584 0.000 -3.749) 9.367 5.753 ( 3.932 0.000 -7.497) 8.465 6.104 ( -2.671 0.000 3.099) 4.091 7.284 ( -13.643 0.000 3.860) 14.178 ======================= Grid point 223 (94/203) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 3.251 0.000 12.396) 12.815 1.233 ( 10.278 0.000 4.165) 11.090 1.309 ( 13.773 0.000 2.765) 14.048 2.009 ( -8.320 0.000 -2.476) 8.681 2.027 ( -6.807 0.000 -7.460) 10.099 2.979 ( -2.654 0.000 1.831) 3.224 3.101 ( 1.490 0.000 1.032) 1.812 3.658 ( 4.634 0.000 -1.663) 4.923 3.690 ( 0.856 0.000 1.105) 1.397 3.777 ( 0.672 0.000 0.890) 1.115 4.023 ( 8.124 0.000 7.035) 10.747 4.111 ( 0.762 0.000 0.365) 0.845 4.333 ( -0.074 0.000 3.841) 3.842 4.392 ( 8.888 0.000 -0.276) 8.892 4.562 ( -0.782 0.000 0.710) 1.056 4.797 ( -5.985 0.000 -1.851) 6.265 5.202 ( -0.486 0.000 0.362) 0.605 5.310 ( -0.287 0.000 -0.194) 0.346 5.787 ( 4.655 0.000 -6.928) 8.347 6.072 ( -0.525 0.000 -3.679) 3.716 7.020 ( -15.865 0.000 -1.182) 15.909 ======================= Grid point 224 (95/203) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 2.238 0.000 4.378) 4.917 1.426 ( 8.735 0.000 1.567) 8.874 1.542 ( 3.159 0.000 -8.897) 9.441 1.797 ( -11.802 0.000 -5.432) 12.992 1.910 ( 5.326 0.000 -5.561) 7.700 2.826 ( -9.844 0.000 -8.399) 12.941 3.154 ( 2.607 0.000 3.136) 4.078 3.714 ( 1.005 0.000 0.961) 1.390 3.772 ( 5.648 0.000 3.421) 6.603 3.785 ( -0.402 0.000 0.814) 0.908 4.143 ( 1.971 0.000 2.053) 2.846 4.190 ( 1.838 0.000 8.337) 8.538 4.377 ( 3.626 0.000 10.453) 11.064 4.511 ( 1.155 0.000 2.168) 2.456 4.601 ( 4.684 0.000 2.773) 5.443 4.710 ( -2.191 0.000 -0.069) 2.192 5.183 ( -1.431 0.000 -0.905) 1.694 5.236 ( -8.393 0.000 2.901) 8.880 5.778 ( -2.930 0.000 -4.973) 5.772 6.102 ( 8.924 0.000 -7.879) 11.905 6.720 ( -12.502 0.000 -10.990) 16.646 ======================= Grid point 225 (96/203) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.386 0.000 -21.301) 21.305 1.345 ( -8.119 0.000 2.395) 8.465 1.453 ( -12.720 0.000 0.964) 12.756 1.650 ( 5.863 0.000 -5.549) 8.073 2.095 ( 7.214 0.000 1.103) 7.298 2.621 ( -2.948 0.000 -11.044) 11.430 3.217 ( 2.059 0.000 2.992) 3.632 3.732 ( 0.247 0.000 0.827) 0.863 3.774 ( -1.189 0.000 0.822) 1.445 3.834 ( -1.576 0.000 1.147) 1.949 4.198 ( 2.117 0.000 2.719) 3.446 4.213 ( -1.472 0.000 8.563) 8.689 4.489 ( 0.677 0.000 -0.196) 0.705 4.569 ( 0.365 0.000 16.855) 16.859 4.676 ( 0.841 0.000 6.760) 6.812 4.733 ( 3.145 0.000 0.375) 3.167 5.062 ( -11.820 0.000 3.856) 12.433 5.145 ( -1.820 0.000 -1.346) 2.263 5.687 ( -0.739 0.000 -7.744) 7.779 6.236 ( 2.915 0.000 1.265) 3.178 6.497 ( 3.424 0.000 -23.496) 23.744 ======================= Grid point 226 (97/203) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -9.355 0.000 -13.171) 16.155 1.169 ( -17.041 0.000 2.158) 17.177 1.394 ( 4.534 0.000 0.159) 4.537 1.772 ( 8.112 0.000 -2.730) 8.559 2.016 ( -14.352 0.000 1.334) 14.414 2.684 ( 12.637 0.000 -7.332) 14.610 3.256 ( 0.622 0.000 1.464) 1.590 3.726 ( -1.367 0.000 0.818) 1.593 3.739 ( -8.386 0.000 1.472) 8.514 3.763 ( -0.560 0.000 1.033) 1.175 4.238 ( 0.657 0.000 1.468) 1.608 4.260 ( 0.833 0.000 6.301) 6.356 4.446 ( -9.211 0.000 4.320) 10.174 4.572 ( -1.982 0.000 2.202) 2.962 4.771 ( 3.167 0.000 11.381) 11.814 4.779 ( 1.920 0.000 -0.124) 1.924 4.891 ( -10.236 0.000 2.725) 10.592 5.110 ( -1.191 0.000 -0.411) 1.260 5.698 ( 5.528 0.000 -5.778) 7.996 6.136 ( -5.141 0.000 -8.583) 10.005 6.659 ( 19.624 0.000 -9.649) 21.868 ======================= Grid point 227 (98/203) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -3.532 0.000 10.545) 11.121 0.903 ( -14.826 0.000 8.436) 17.058 1.488 ( 6.241 0.000 -2.248) 6.633 1.710 ( -19.161 0.000 5.773) 20.011 1.898 ( 6.968 0.000 -0.921) 7.028 2.858 ( 7.404 0.000 -1.210) 7.502 3.255 ( -1.010 0.000 -0.529) 1.140 3.591 ( -7.200 0.000 -1.433) 7.341 3.705 ( -1.287 0.000 1.011) 1.636 3.757 ( -0.866 0.000 1.001) 1.324 4.231 ( -14.527 0.000 6.663) 15.983 4.233 ( -1.315 0.000 -0.951) 1.623 4.289 ( -1.923 0.000 1.309) 2.326 4.592 ( 1.927 0.000 -2.455) 3.121 4.673 ( -12.632 0.000 1.760) 12.755 4.815 ( 2.972 0.000 -1.738) 3.442 4.915 ( 6.649 0.000 4.440) 7.995 5.103 ( 0.130 0.000 1.472) 1.478 5.724 ( -0.062 0.000 -7.453) 7.454 6.086 ( 4.344 0.000 -4.345) 6.144 7.002 ( 20.723 0.000 -0.748) 20.737 ======================= Grid point 228 (99/203) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -6.865 0.000 14.763) 16.281 0.899 ( -6.617 0.000 17.231) 18.458 1.370 ( -16.539 0.000 13.319) 21.235 1.703 ( 10.942 0.000 6.151) 12.552 2.010 ( 5.344 0.000 1.097) 5.455 2.908 ( -2.519 0.000 4.574) 5.222 3.216 ( -2.219 0.000 -2.402) 3.270 3.472 ( -3.733 0.000 -4.433) 5.795 3.691 ( -1.006 0.000 1.018) 1.432 3.745 ( -0.849 0.000 0.825) 1.184 4.017 ( -11.565 0.000 4.083) 12.264 4.189 ( -2.103 0.000 -2.507) 3.273 4.209 ( -5.828 0.000 -0.240) 5.832 4.474 ( -6.804 0.000 1.564) 6.981 4.633 ( 0.758 0.000 -1.184) 1.406 4.906 ( 8.366 0.000 -1.873) 8.574 5.030 ( 5.585 0.000 -6.062) 8.243 5.128 ( 1.060 0.000 2.795) 2.989 5.670 ( 0.927 0.000 -6.595) 6.660 6.155 ( 1.896 0.000 1.276) 2.286 7.337 ( 13.860 0.000 0.458) 13.867 ======================= Grid point 229 (100/203) ======================= q-point: ( 0.00 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -6.168 7.091 12.232) 15.426 1.030 ( -1.987 11.684 12.479) 17.210 1.344 ( -7.109 10.535 13.302) 18.397 1.958 ( 8.389 0.640 7.194) 11.070 2.215 ( 1.004 8.490 0.453) 8.561 2.886 ( -3.519 1.314 6.802) 7.770 3.245 ( 0.556 8.069 -2.326) 8.415 3.486 ( 3.616 2.661 -2.739) 5.259 3.747 ( -1.720 1.628 0.680) 2.463 3.776 ( -0.339 3.632 0.237) 3.655 3.981 ( 1.251 7.745 0.558) 7.865 4.205 ( -2.382 5.732 -1.351) 6.352 4.241 ( 2.124 8.692 -0.909) 8.994 4.398 ( -3.441 1.229 1.398) 3.912 4.606 ( -1.240 -1.520 -0.643) 2.064 4.977 ( 1.464 -3.699 -3.359) 5.206 5.052 ( 11.372 -2.143 -7.208) 13.634 5.228 ( -0.752 4.536 -2.094) 5.053 5.667 ( 5.299 -3.391 -4.812) 7.921 6.103 ( -3.988 -3.966 3.131) 6.438 7.238 ( -4.769 -16.635 4.791) 17.956 ======================= Grid point 230 (101/203) ======================= q-point: ( 0.12 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 7.324 3.628 9.540) 12.563 1.110 ( -0.941 4.238 17.923) 18.442 1.357 ( 3.287 14.173 4.635) 15.270 2.076 ( 0.179 -2.656 2.547) 3.684 2.179 ( -3.732 5.548 -1.480) 6.848 2.867 ( -2.618 -2.396 4.199) 5.498 3.291 ( 3.882 14.831 3.647) 15.759 3.561 ( 5.598 -0.114 -3.018) 6.361 3.724 ( -1.074 -0.764 -0.165) 1.328 3.776 ( -0.138 4.454 -0.438) 4.477 4.032 ( 3.431 9.788 1.361) 10.461 4.157 ( -1.038 3.797 -2.613) 4.725 4.305 ( 2.424 4.862 2.886) 6.152 4.388 ( 3.931 7.723 -1.800) 8.851 4.573 ( -1.971 -1.370 -0.076) 2.401 4.923 ( -3.783 0.027 -5.398) 6.592 5.186 ( 4.248 -1.004 -2.929) 5.256 5.240 ( 4.295 0.016 -1.086) 4.430 5.732 ( 5.350 -2.210 -7.247) 9.276 6.042 ( -3.814 -5.617 2.848) 7.363 7.101 ( -12.714 -16.247 5.135) 21.260 ======================= Grid point 231 (102/203) ======================= q-point: ( 0.25 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 4.160 -1.693 10.550) 11.466 1.177 ( 9.293 2.353 5.860) 11.236 1.514 ( 10.733 14.558 1.139) 18.123 1.980 ( -6.238 -1.575 -7.263) 9.702 2.099 ( -6.156 6.079 0.124) 8.653 2.842 ( -2.194 -6.178 1.945) 6.838 3.335 ( -1.449 14.153 -2.971) 14.534 3.666 ( 6.292 2.761 2.686) 7.378 3.718 ( 0.932 -1.558 1.141) 2.144 3.763 ( -0.498 3.474 -0.406) 3.533 4.107 ( 2.821 5.234 1.661) 6.173 4.168 ( 2.919 4.413 3.006) 6.085 4.342 ( 0.399 0.962 4.129) 4.259 4.498 ( 5.937 8.246 -1.899) 10.337 4.553 ( 1.512 1.016 0.823) 1.999 4.807 ( -6.207 1.373 -1.205) 6.470 5.201 ( 0.029 -0.130 -1.014) 1.023 5.289 ( -0.674 -1.939 0.284) 2.073 5.790 ( 4.668 0.214 -5.004) 6.847 6.006 ( 1.019 -6.227 -4.572) 7.792 6.861 ( -14.965 -14.448 0.387) 20.805 ======================= Grid point 232 (103/203) ======================= q-point: ( 0.38 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 2.525 0.664 2.902) 3.904 1.413 ( 8.570 -1.122 -3.276) 9.243 1.623 ( -1.721 8.522 -1.832) 8.885 1.937 ( -1.623 3.466 -4.225) 5.701 1.945 ( 2.229 10.832 -2.651) 11.372 2.774 ( -5.819 -3.650 -3.742) 7.823 3.265 ( -1.421 9.150 -2.746) 9.658 3.735 ( 0.897 -1.827 0.532) 2.103 3.754 ( 0.080 3.497 0.291) 3.510 3.806 ( 3.523 1.131 4.697) 5.979 4.152 ( 1.691 2.642 1.054) 3.309 4.238 ( -0.671 2.857 7.619) 8.165 4.414 ( 5.189 1.064 4.176) 6.745 4.524 ( 0.234 0.925 3.338) 3.472 4.662 ( 5.473 6.587 2.403) 8.895 4.709 ( -4.094 0.632 1.710) 4.482 5.180 ( -2.627 -0.591 -0.587) 2.756 5.221 ( -6.177 -1.093 1.645) 6.485 5.775 ( -3.879 -0.744 -2.241) 4.541 6.084 ( 11.257 -1.397 -8.085) 13.930 6.590 ( -11.330 -11.965 -8.735) 18.651 ======================= Grid point 233 (104/203) ======================= q-point: (-0.50 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 1.364 2.524 -16.128) 16.381 1.354 ( -5.569 1.476 4.218) 7.140 1.601 ( -6.775 11.104 0.815) 13.033 1.794 ( 2.044 10.061 -5.618) 11.703 2.150 ( 7.497 6.403 0.905) 9.901 2.623 ( -2.787 0.482 -9.887) 10.284 3.278 ( 2.047 5.723 2.111) 6.434 3.730 ( -1.853 -2.357 0.723) 3.084 3.754 ( -0.482 1.700 0.532) 1.845 3.848 ( -1.331 0.008 2.723) 3.031 4.174 ( -0.386 -0.199 3.381) 3.409 4.268 ( 0.427 4.110 5.916) 7.217 4.476 ( 0.533 -1.426 -0.355) 1.563 4.595 ( 1.444 0.447 6.095) 6.280 4.683 ( -1.815 1.040 8.864) 9.107 4.745 ( 1.881 1.639 1.604) 2.966 5.037 ( -11.850 -2.207 4.466) 12.854 5.182 ( 0.505 3.397 -0.888) 3.547 5.693 ( -0.823 0.149 -6.186) 6.243 6.198 ( -2.354 -4.189 1.201) 4.952 6.441 ( 9.650 -4.049 -19.565) 22.188 ======================= Grid point 234 (105/203) ======================= q-point: (-0.38 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -6.489 10.333 -6.111) 13.647 1.365 ( -10.701 12.616 3.410) 16.891 1.421 ( 1.991 4.574 -3.684) 6.202 1.890 ( 6.981 9.168 -2.169) 11.726 2.081 ( -12.749 8.076 0.365) 15.097 2.683 ( 12.182 0.292 -6.696) 13.904 3.323 ( 0.972 6.313 1.229) 6.505 3.668 ( -6.094 -3.746 2.871) 7.708 3.745 ( -0.759 1.529 0.647) 1.826 3.817 ( -2.158 2.133 0.758) 3.127 4.195 ( 0.150 -3.033 3.775) 4.845 4.310 ( 0.866 3.646 2.866) 4.718 4.443 ( -7.517 -0.335 3.563) 8.325 4.575 ( -2.674 0.198 1.459) 3.052 4.724 ( 1.226 -3.116 7.200) 7.941 4.778 ( 1.598 -0.104 -0.238) 1.619 4.853 ( -10.451 -2.650 1.147) 10.843 5.212 ( 1.245 7.282 3.466) 8.160 5.692 ( 4.007 -0.973 -6.658) 7.832 6.077 ( -4.246 -5.196 -6.645) 9.444 6.651 ( 17.932 -0.508 -7.725) 19.532 ======================= Grid point 235 (106/203) ======================= q-point: (-0.25 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -5.909 11.599 6.834) 14.702 1.156 ( -10.908 18.306 6.214) 22.197 1.526 ( 8.325 4.070 -1.693) 9.420 1.767 ( -18.138 6.363 4.513) 19.745 2.036 ( 6.635 12.309 -0.864) 14.010 2.854 ( 7.206 0.071 -0.561) 7.228 3.312 ( -1.960 4.868 -1.572) 5.478 3.572 ( -5.333 -0.384 1.874) 5.666 3.741 ( 0.127 2.564 0.246) 2.579 3.795 ( -0.273 2.822 -0.967) 2.996 4.198 ( -5.491 -3.120 4.888) 7.986 4.247 ( -7.073 0.068 -2.221) 7.414 4.342 ( -2.341 5.727 5.270) 8.127 4.584 ( 1.042 -0.548 -1.561) 1.955 4.642 ( -10.998 -2.171 2.738) 11.540 4.807 ( 2.283 -0.786 0.726) 2.521 4.827 ( 6.388 -4.949 -2.138) 8.359 5.246 ( 0.529 8.974 2.560) 9.347 5.690 ( -0.387 -3.255 -7.919) 8.570 6.048 ( 4.186 -3.297 -3.257) 6.245 6.944 ( 16.212 -4.789 -0.444) 16.911 ======================= Grid point 236 (107/203) ======================= q-point: (-0.12 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -8.765 11.027 12.388) 18.759 1.062 ( -6.362 13.758 8.203) 17.235 1.469 ( -15.320 10.319 11.499) 21.758 1.735 ( 10.650 3.515 4.979) 12.270 2.148 ( 5.272 11.491 0.780) 12.666 2.911 ( -1.958 0.664 5.124) 5.526 3.264 ( -0.686 3.851 -3.709) 5.391 3.499 ( -2.880 3.219 -1.452) 4.557 3.752 ( 0.629 2.956 0.215) 3.030 3.792 ( 0.322 4.440 -1.928) 4.851 4.028 ( -8.771 0.819 2.758) 9.231 4.218 ( -0.049 3.233 -0.491) 3.271 4.293 ( -5.216 7.840 0.891) 9.458 4.469 ( -6.050 -0.512 1.850) 6.347 4.618 ( 0.583 -1.415 -1.038) 1.849 4.889 ( 6.598 -1.595 0.332) 6.796 4.933 ( 7.024 -5.728 -5.190) 10.445 5.255 ( -0.079 7.669 -1.822) 7.883 5.637 ( 0.755 -3.055 -6.024) 6.797 6.114 ( 1.965 -3.769 0.696) 4.307 7.186 ( 8.274 -12.295 2.626) 15.051 ======================= Grid point 237 (108/203) ======================= q-point: ( 0.00 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -6.397 11.862 6.763) 15.079 1.249 ( -6.771 10.821 11.952) 17.487 1.661 ( -2.306 17.632 1.730) 17.866 2.008 ( 4.462 3.875 2.838) 6.556 2.381 ( -1.295 7.527 -3.168) 8.269 2.912 ( -5.175 0.833 4.710) 7.047 3.444 ( 8.172 9.282 -0.040) 12.367 3.596 ( -0.759 8.948 -0.070) 8.980 3.769 ( -3.888 1.235 1.475) 4.338 3.846 ( 1.038 3.460 0.282) 3.623 4.079 ( 3.446 1.914 0.093) 3.943 4.366 ( -5.636 2.412 0.305) 6.138 4.392 ( -0.791 8.546 2.624) 8.974 4.516 ( 7.650 10.896 -1.489) 13.396 4.570 ( -0.702 -1.574 -0.321) 1.753 4.890 ( 3.905 -4.837 -0.090) 6.217 4.987 ( 10.712 -3.830 -6.513) 13.108 5.318 ( -2.485 3.741 -4.489) 6.350 5.576 ( 3.647 -5.132 -3.364) 7.138 5.997 ( -3.633 -5.871 0.506) 6.922 6.867 ( -8.014 -17.611 3.564) 19.674 ======================= Grid point 238 (109/203) ======================= q-point: ( 0.12 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 1.171 8.384 7.792) 11.505 1.224 ( -3.850 7.955 12.550) 15.350 1.701 ( 5.315 16.873 0.347) 17.694 2.042 ( -1.312 0.027 -1.085) 1.703 2.330 ( -2.484 8.829 -1.574) 9.306 2.826 ( -5.869 -1.855 2.041) 6.485 3.588 ( 0.132 6.544 -1.372) 6.688 3.622 ( 9.098 9.851 3.536) 13.867 3.721 ( -2.291 2.203 1.348) 3.452 3.877 ( 1.635 5.860 0.472) 6.102 4.139 ( 2.772 1.578 -0.188) 3.195 4.269 ( -3.829 4.275 -0.539) 5.764 4.379 ( -1.651 4.665 2.931) 5.751 4.549 ( -1.110 0.056 -0.376) 1.174 4.647 ( 6.768 12.425 -2.851) 14.433 4.927 ( 0.347 0.642 -0.872) 1.138 5.147 ( 9.472 -2.996 -6.115) 11.666 5.257 ( -1.903 2.039 -1.692) 3.262 5.649 ( 8.047 -6.166 -6.392) 11.984 5.904 ( -6.418 -6.769 1.352) 9.426 6.704 ( -12.436 -20.416 5.328) 24.492 ======================= Grid point 239 (110/203) ======================= q-point: ( 0.25 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 4.954 2.196 8.804) 10.338 1.268 ( 4.856 6.052 2.988) 8.315 1.810 ( 3.637 11.460 1.026) 12.067 1.996 ( 1.095 5.337 -4.135) 6.839 2.257 ( -5.741 8.783 0.614) 10.511 2.750 ( -3.124 -3.203 0.897) 4.564 3.563 ( -1.880 7.381 -5.238) 9.243 3.682 ( -0.015 -1.136 0.071) 1.138 3.788 ( 3.737 5.968 3.166) 7.721 3.897 ( 0.254 10.607 0.765) 10.637 4.178 ( 2.959 1.781 -1.169) 3.646 4.252 ( -0.140 3.012 5.704) 6.452 4.378 ( 0.277 2.333 1.128) 2.606 4.530 ( -0.916 0.950 1.037) 1.678 4.712 ( 2.186 5.324 -3.122) 6.547 4.905 ( -1.761 9.265 -0.639) 9.453 5.200 ( 0.970 0.389 -5.099) 5.205 5.234 ( -2.327 -3.351 2.612) 4.844 5.789 ( -0.935 -1.349 2.630) 3.100 5.831 ( 11.224 -9.446 -11.000) 18.337 6.492 ( -13.805 -19.536 4.560) 24.352 ======================= Grid point 240 (111/203) ======================= q-point: ( 0.38 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 3.930 3.492 2.652) 5.889 1.421 ( 8.006 2.225 -3.203) 8.905 1.805 ( -0.509 7.569 0.597) 7.609 2.037 ( -3.435 6.599 -0.901) 7.494 2.195 ( 5.131 12.464 -0.067) 13.479 2.713 ( -1.901 -1.979 -0.676) 2.826 3.470 ( -3.156 9.585 -5.859) 11.669 3.704 ( 1.528 -1.121 0.625) 1.995 3.806 ( -1.571 1.304 0.036) 2.042 3.895 ( -1.604 7.493 1.532) 7.815 4.219 ( 0.583 2.734 0.221) 2.804 4.307 ( 1.522 3.803 6.897) 8.022 4.402 ( 2.213 -1.055 -0.930) 2.622 4.536 ( 0.381 0.032 2.708) 2.735 4.705 ( -0.631 0.779 -0.771) 1.265 4.861 ( -3.812 8.444 1.635) 9.408 5.142 ( -7.528 -2.540 2.992) 8.490 5.216 ( 2.254 0.667 -3.120) 3.907 5.718 ( -3.476 -5.575 -1.722) 6.792 6.067 ( 14.063 0.157 -5.609) 15.141 6.286 ( -8.143 -15.698 -0.662) 17.697 ======================= Grid point 241 (112/203) ======================= q-point: (-0.50 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 6.302 4.811 -1.030) 7.995 1.434 ( -2.266 7.501 -4.987) 9.288 1.834 ( -6.516 10.283 1.228) 12.235 1.935 ( 4.027 3.936 -0.944) 5.710 2.368 ( 8.475 12.891 1.441) 15.494 2.653 ( -1.361 2.358 -6.698) 7.230 3.432 ( 1.490 8.346 0.254) 8.481 3.698 ( -4.383 -0.604 -0.022) 4.424 3.775 ( -0.592 -0.474 1.437) 1.625 3.863 ( -2.323 2.927 0.930) 3.851 4.202 ( -2.764 2.581 2.040) 4.297 4.360 ( 1.338 4.109 1.941) 4.737 4.434 ( 1.378 -2.356 -0.352) 2.752 4.558 ( 0.548 -3.612 0.606) 3.703 4.708 ( -0.854 1.318 4.011) 4.308 4.780 ( -4.760 0.027 -0.254) 4.767 4.991 ( -11.109 -1.269 5.619) 12.514 5.268 ( 4.277 4.407 -0.557) 6.167 5.659 ( -0.361 -4.399 -5.868) 7.342 6.058 ( -7.289 -7.927 1.166) 10.832 6.395 ( 16.499 -0.153 -7.212) 18.007 ======================= Grid point 242 (113/203) ======================= q-point: (-0.38 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -5.750 9.804 2.437) 11.624 1.503 ( 9.769 8.782 -5.516) 14.247 1.647 ( -11.262 9.681 1.078) 14.890 2.061 ( 5.098 7.877 -0.331) 9.389 2.368 ( -6.510 16.658 -0.985) 17.912 2.715 ( 11.376 3.190 -5.424) 13.001 3.498 ( 1.610 10.015 0.324) 10.149 3.585 ( -5.528 -4.692 4.800) 8.696 3.788 ( 0.392 2.522 1.004) 2.743 3.831 ( -1.273 -0.459 0.195) 1.367 4.156 ( -3.397 0.013 2.753) 4.373 4.366 ( -1.822 1.260 -2.980) 3.713 4.434 ( -2.455 -0.567 3.864) 4.612 4.559 ( -0.460 -2.829 -0.301) 2.882 4.671 ( -1.847 -2.380 3.196) 4.392 4.757 ( 1.274 -1.908 -3.485) 4.172 4.832 ( -9.508 1.675 5.697) 11.210 5.344 ( 2.773 4.949 2.912) 6.376 5.632 ( 1.357 -5.285 -7.872) 9.579 5.968 ( -1.990 -4.141 -1.308) 4.777 6.646 ( 14.082 0.006 -3.608) 14.537 ======================= Grid point 243 (114/203) ======================= q-point: (-0.25 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -6.343 10.962 4.848) 13.561 1.458 ( -9.121 10.452 0.562) 13.884 1.674 ( 9.771 10.035 0.380) 14.011 1.998 ( -11.309 14.926 0.806) 18.744 2.330 ( 3.664 14.445 -1.479) 14.975 2.879 ( 6.901 2.626 0.262) 7.388 3.402 ( -5.343 2.506 -2.299) 6.333 3.627 ( 0.839 6.755 3.759) 7.776 3.795 ( 0.540 2.089 0.219) 2.168 3.840 ( 2.261 1.333 -0.629) 2.699 4.121 ( -4.192 -3.241 5.348) 7.529 4.249 ( -4.500 0.181 -3.151) 5.496 4.430 ( -0.937 0.653 4.267) 4.417 4.566 ( 1.077 -2.322 -0.457) 2.601 4.652 ( -7.432 4.696 2.142) 9.049 4.727 ( 2.863 -4.189 -0.388) 5.089 4.795 ( 2.522 -0.637 -1.855) 3.195 5.390 ( 0.539 4.401 1.984) 4.858 5.598 ( -0.357 -5.409 -7.033) 8.880 5.973 ( 2.861 -3.447 -1.761) 4.813 6.844 ( 8.659 -4.503 -0.865) 9.798 ======================= Grid point 244 (115/203) ======================= q-point: (-0.12 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -7.827 11.516 6.024) 15.171 1.326 ( -7.305 11.468 5.136) 14.534 1.769 ( -9.463 15.213 2.882) 18.146 1.872 ( 6.824 11.074 3.035) 13.357 2.388 ( 2.384 10.157 -1.730) 10.576 2.945 ( -1.243 2.424 5.087) 5.770 3.354 ( 2.357 4.821 -3.316) 6.308 3.620 ( -1.854 8.748 0.591) 8.962 3.809 ( 0.117 2.688 0.552) 2.746 3.857 ( -1.145 1.638 -1.354) 2.414 4.047 ( -2.237 1.035 1.616) 2.947 4.292 ( 6.642 3.489 2.759) 7.993 4.436 ( -1.097 -1.156 2.747) 3.176 4.514 ( -6.737 10.131 0.124) 12.167 4.578 ( 0.192 -2.307 -0.806) 2.452 4.805 ( 5.080 -5.882 -0.373) 7.781 4.860 ( 6.576 -1.487 -3.785) 7.732 5.381 ( -1.514 3.878 -2.421) 4.816 5.559 ( 0.524 -4.144 -4.310) 6.001 6.015 ( 1.552 -5.354 -0.727) 5.622 6.928 ( 0.227 -11.514 1.165) 11.575 ======================= Grid point 245 (116/203) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -4.813 10.491 2.432) 11.796 1.501 ( -6.226 13.471 7.484) 16.620 1.983 ( -1.636 11.005 -0.386) 11.132 2.115 ( 0.281 8.511 -3.151) 9.080 2.541 ( 0.740 8.208 -2.899) 8.736 2.913 ( -7.416 -0.726 3.036) 8.046 3.579 ( 7.386 4.650 -0.291) 8.733 3.762 ( -5.420 2.608 2.125) 6.379 3.852 ( -0.064 6.352 0.043) 6.353 3.937 ( 5.996 6.991 -0.885) 9.253 4.103 ( 1.620 1.660 3.251) 3.994 4.351 ( -2.400 -2.230 1.711) 3.695 4.514 ( -2.568 0.647 -1.243) 2.925 4.600 ( 0.815 5.370 1.371) 5.601 4.685 ( 14.151 3.150 -0.046) 14.497 4.773 ( 4.445 -5.574 0.790) 7.173 4.939 ( 6.103 0.318 -4.179) 7.403 5.360 ( -1.386 -0.319 -2.331) 2.731 5.471 ( 0.421 -4.383 -2.115) 4.885 5.891 ( -2.810 -3.634 -1.165) 4.739 6.556 ( -11.667 -12.359 -1.197) 17.038 ======================= Grid point 246 (117/203) ======================= q-point: ( 0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -1.905 10.287 3.153) 10.927 1.432 ( -5.180 11.728 6.570) 14.406 1.968 ( -0.803 6.948 0.557) 7.016 2.129 ( 4.081 10.609 -3.811) 11.989 2.529 ( -1.411 10.236 -1.842) 10.496 2.781 ( -7.637 -2.717 1.836) 8.312 3.672 ( 2.455 3.340 -0.828) 4.227 3.695 ( -2.687 0.815 0.846) 2.933 3.853 ( 0.449 4.636 0.216) 4.663 4.053 ( 6.717 8.759 -0.661) 11.058 4.163 ( 1.856 3.129 4.508) 5.793 4.307 ( -3.137 0.536 2.040) 3.780 4.458 ( -1.777 2.688 -2.048) 3.818 4.581 ( -1.413 1.912 -0.185) 2.384 4.790 ( 0.270 1.203 0.116) 1.239 4.969 ( 7.799 1.860 0.070) 8.018 5.051 ( 9.624 -5.929 -2.990) 11.693 5.335 ( 0.756 5.254 -4.266) 6.810 5.485 ( 4.589 -8.817 -5.040) 11.145 5.807 ( -5.373 -2.033 -0.024) 5.744 6.329 ( -13.225 -14.991 3.638) 20.319 ======================= Grid point 247 (118/203) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 2.755 7.369 3.933) 8.795 1.417 ( 1.474 8.313 1.430) 8.563 1.943 ( -2.014 4.186 0.635) 4.688 2.213 ( 5.368 12.264 -1.948) 13.528 2.442 ( -6.350 9.101 0.167) 11.098 2.702 ( -1.449 -1.334 -0.164) 1.977 3.667 ( -0.663 -0.314 -0.243) 0.773 3.674 ( -0.888 3.829 -1.513) 4.211 3.857 ( -0.548 1.414 -0.682) 1.663 4.131 ( 0.257 8.488 -1.496) 8.622 4.191 ( 1.578 0.404 0.017) 1.629 4.317 ( 1.327 4.580 7.400) 8.803 4.430 ( -0.183 2.940 -2.298) 3.736 4.549 ( -2.023 -0.385 -0.046) 2.059 4.770 ( -1.826 2.010 -0.574) 2.776 5.012 ( -2.798 -4.131 -0.309) 4.999 5.153 ( 4.283 -2.889 -1.514) 5.384 5.290 ( -3.620 9.003 -5.081) 10.954 5.566 ( 5.289 -13.314 -13.516) 19.695 5.811 ( 8.680 1.578 6.439) 10.922 6.142 ( -11.363 -13.140 8.478) 19.331 ======================= Grid point 248 (119/203) ======================= q-point: ( 0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 4.968 5.456 2.469) 7.781 1.503 ( 7.836 5.413 -3.461) 10.133 1.929 ( 0.814 4.962 1.343) 5.205 2.165 ( -9.621 4.950 0.274) 10.824 2.455 ( 7.451 12.883 0.656) 14.898 2.698 ( 0.762 0.519 -1.017) 1.373 3.616 ( -2.663 4.057 -3.352) 5.898 3.690 ( 1.852 -0.291 1.058) 2.152 3.812 ( -3.759 -0.761 -1.474) 4.109 4.070 ( -3.903 8.508 -1.883) 9.548 4.243 ( 2.474 -0.334 0.927) 2.663 4.371 ( -0.473 1.564 3.964) 4.288 4.421 ( 0.996 3.236 -2.350) 4.122 4.510 ( -2.195 -2.250 0.204) 3.150 4.739 ( -0.750 2.389 -1.156) 2.757 4.883 ( -9.827 -7.391 1.059) 12.341 5.164 ( -7.330 5.346 -2.219) 9.340 5.238 ( 6.387 1.329 -3.379) 7.347 5.540 ( 0.443 -10.757 -6.976) 12.829 6.015 ( -8.080 -7.518 8.397) 13.868 6.102 ( 16.961 0.903 2.652) 17.190 ======================= Grid point 249 (120/203) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 3.251 4.430 1.577) 5.716 1.615 ( 7.789 8.511 -6.860) 13.423 1.961 ( -8.167 2.422 0.337) 8.526 2.036 ( 5.873 6.283 2.375) 8.922 2.617 ( 7.518 11.003 3.100) 13.682 2.706 ( 2.142 2.526 -4.423) 5.525 3.547 ( -3.560 1.345 -0.460) 3.833 3.708 ( -4.299 1.235 -1.328) 4.666 3.750 ( 2.299 -1.420 0.785) 2.814 3.986 ( -3.906 8.657 -2.465) 9.812 4.255 ( -2.864 1.732 1.566) 3.696 4.375 ( 1.461 -3.847 0.219) 4.121 4.427 ( 0.404 2.300 -2.339) 3.305 4.475 ( -2.235 -3.448 0.670) 4.163 4.696 ( -4.672 -7.191 -5.529) 10.204 4.749 ( -3.435 2.324 4.178) 5.888 5.016 ( -8.701 3.450 3.347) 9.940 5.332 ( 5.578 1.164 -2.631) 6.276 5.514 ( 0.388 -8.207 -4.516) 9.376 5.947 ( -3.989 -2.500 5.183) 7.001 6.406 ( 14.838 0.352 1.149) 14.887 ======================= Grid point 250 (121/203) ======================= q-point: (-0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -1.960 5.245 1.910) 5.916 1.721 ( 6.375 9.369 -8.209) 13.993 1.811 ( -5.494 7.753 3.355) 10.077 2.207 ( 8.680 5.725 0.230) 10.401 2.645 ( -3.114 9.194 -0.565) 9.724 2.813 ( 9.866 5.829 -3.553) 11.998 3.468 ( -6.251 -6.358 3.284) 9.502 3.663 ( 1.771 3.890 -0.110) 4.275 3.807 ( 2.301 -0.060 0.768) 2.426 3.912 ( -2.149 9.378 -1.784) 9.785 4.185 ( -4.619 1.835 0.553) 5.001 4.373 ( -6.106 -1.066 -1.422) 6.359 4.404 ( -0.799 -2.073 0.893) 2.395 4.459 ( 2.552 -5.323 -0.445) 5.920 4.600 ( -1.538 -4.348 -1.809) 4.954 4.747 ( 1.056 1.242 0.263) 1.651 4.900 ( -7.055 4.117 4.641) 9.395 5.399 ( 2.899 -0.007 -1.247) 3.156 5.499 ( 0.634 -6.262 -3.830) 7.368 5.925 ( -0.900 -0.307 1.650) 1.904 6.637 ( 10.008 -1.373 0.063) 10.102 ======================= Grid point 251 (122/203) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -3.609 7.241 1.607) 8.249 1.647 ( -6.022 8.944 0.574) 10.797 1.893 ( 7.257 9.978 -1.059) 12.383 2.282 ( -1.223 11.207 -1.430) 11.364 2.578 ( -1.943 9.594 -2.640) 10.138 2.947 ( 5.619 3.092 -0.975) 6.488 3.401 ( -1.543 -2.346 1.827) 3.350 3.754 ( 5.862 -1.805 2.289) 6.547 3.823 ( 0.815 4.858 -2.573) 5.558 3.906 ( -0.524 6.526 3.504) 7.426 4.114 ( -3.155 3.313 0.297) 4.585 4.251 ( -3.090 -0.533 -1.242) 3.373 4.387 ( -1.486 -3.385 1.856) 4.137 4.515 ( 2.576 -1.818 -0.030) 3.153 4.615 ( 3.330 -5.226 -0.537) 6.220 4.786 ( 1.868 3.063 0.423) 3.613 4.801 ( -5.010 3.564 1.306) 6.285 5.420 ( 0.175 -1.491 -0.895) 1.747 5.489 ( 0.436 -4.484 -3.027) 5.427 5.926 ( 0.437 -0.929 -0.761) 1.278 6.755 ( 3.081 -4.572 -1.277) 5.659 ======================= Grid point 252 (123/203) ======================= q-point: (-0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -4.746 9.102 1.714) 10.407 1.562 ( -4.982 11.974 4.477) 13.720 1.989 ( 2.863 7.528 -0.168) 8.056 2.180 ( -5.992 15.503 -2.563) 16.817 2.550 ( 0.044 6.446 -2.844) 7.046 2.986 ( -1.936 1.092 2.414) 3.282 3.449 ( 5.884 3.920 -0.031) 7.070 3.834 ( 0.976 10.058 -0.868) 10.143 3.850 ( 3.233 0.313 -0.114) 3.251 3.864 ( -4.326 -0.211 2.528) 5.015 4.081 ( -0.756 3.148 1.060) 3.407 4.349 ( 12.967 0.166 0.864) 12.996 4.374 ( -1.381 -2.176 3.703) 4.512 4.541 ( 0.491 -0.562 -0.680) 1.010 4.689 ( -0.175 -1.292 2.455) 2.780 4.697 ( -0.626 2.405 -2.175) 3.302 4.857 ( 4.885 1.392 -1.882) 5.417 5.400 ( -1.409 -2.005 -1.551) 2.900 5.480 ( 0.150 -3.327 -2.139) 3.958 5.923 ( -0.209 -2.882 -1.486) 3.250 6.726 ( -5.139 -8.536 -2.307) 10.227 ======================= Grid point 253 (124/203) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -2.405 8.799 -0.472) 9.134 1.773 ( -5.815 12.064 5.385) 14.435 2.083 ( -0.658 2.497 -0.238) 2.593 2.384 ( -0.439 14.062 -4.507) 14.773 2.696 ( 1.671 5.821 -0.848) 6.115 2.894 ( -7.995 -0.245 2.062) 8.260 3.650 ( 5.751 2.304 0.668) 6.232 3.787 ( -4.920 0.481 2.080) 5.363 3.889 ( 1.835 -1.239 1.698) 2.790 4.054 ( 6.038 3.241 -5.400) 8.725 4.201 ( 4.677 5.190 3.017) 7.610 4.296 ( 1.451 -2.769 -1.808) 3.612 4.507 ( 2.129 -1.232 2.890) 3.795 4.604 ( 5.855 -3.651 -0.137) 6.901 4.679 ( -3.933 1.599 -1.943) 4.670 4.756 ( 5.218 0.183 -0.920) 5.302 4.967 ( 6.280 0.520 -4.685) 7.853 5.284 ( -1.434 -5.665 0.571) 5.871 5.451 ( 0.818 2.339 1.144) 2.730 5.864 ( -2.398 0.953 -0.177) 2.587 6.351 ( -12.654 -8.214 -3.292) 15.441 ======================= Grid point 254 (125/203) ======================= q-point: ( 0.12 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -1.182 9.898 -0.088) 9.968 1.675 ( -7.213 11.008 4.131) 13.794 2.057 ( -1.829 3.749 -0.242) 4.178 2.401 ( 3.965 13.461 -3.290) 14.413 2.705 ( -3.478 -2.609 1.106) 4.486 2.748 ( -5.131 9.269 -0.904) 10.633 3.709 ( -0.908 1.239 -0.965) 1.814 3.724 ( -1.103 0.876 1.678) 2.190 3.901 ( -0.930 0.492 0.356) 1.110 4.107 ( 3.068 0.411 -1.239) 3.334 4.278 ( 0.560 1.345 -1.146) 1.854 4.360 ( 5.187 6.281 3.398) 8.826 4.515 ( -0.347 3.094 -0.990) 3.267 4.585 ( -4.326 -1.242 -1.670) 4.801 4.730 ( 3.346 -8.333 3.279) 9.559 4.838 ( 5.051 -7.522 -3.502) 9.713 5.026 ( 4.185 -0.773 -7.803) 8.888 5.293 ( 2.785 -7.061 -1.813) 7.804 5.491 ( 3.002 7.260 1.013) 7.921 5.823 ( -2.180 3.002 1.416) 3.971 6.102 ( -12.692 -7.435 1.526) 14.789 ======================= Grid point 255 (126/203) ======================= q-point: ( 0.25 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 1.377 9.373 -0.601) 9.493 1.596 ( -2.308 8.576 0.843) 8.921 2.026 ( -1.240 3.945 -0.279) 4.145 2.400 ( -6.061 4.430 -0.412) 7.518 2.621 ( 0.978 6.611 -0.492) 6.701 2.738 ( 0.853 7.639 -1.568) 7.845 3.671 ( -1.105 0.874 -0.392) 1.463 3.713 ( -1.806 -0.212 -0.532) 1.894 3.865 ( -2.838 -0.095 -0.772) 2.943 4.161 ( 3.074 -1.079 0.403) 3.283 4.259 ( -1.336 3.065 -1.905) 3.848 4.417 ( -2.381 1.873 2.236) 3.765 4.492 ( -0.957 0.546 -3.138) 3.326 4.521 ( -0.656 1.389 -0.530) 1.624 4.760 ( -3.385 -12.635 2.989) 13.417 4.823 ( -1.672 -1.337 -4.323) 4.824 5.101 ( 8.248 -3.179 -5.305) 10.310 5.327 ( 2.605 -8.552 -4.811) 10.152 5.496 ( -3.801 9.280 -5.629) 11.500 5.870 ( 4.830 3.694 12.099) 13.542 5.962 ( -3.955 -5.017 3.542) 7.305 ======================= Grid point 256 (127/203) ======================= q-point: ( 0.38 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 3.355 6.667 -0.731) 7.499 1.621 ( 6.135 5.486 -4.005) 9.153 2.015 ( 0.233 3.401 -0.003) 3.409 2.233 ( -9.954 1.886 1.147) 10.196 2.700 ( 6.331 6.285 -3.428) 9.557 2.748 ( 1.238 8.635 0.660) 8.748 3.642 ( -4.454 -1.459 -2.424) 5.277 3.678 ( 1.168 -0.558 0.056) 1.296 3.795 ( -3.839 -0.242 -1.182) 4.024 4.214 ( -1.118 4.756 -2.443) 5.463 4.220 ( 1.878 -1.214 0.939) 2.425 4.333 ( -5.147 -4.645 -1.192) 7.035 4.442 ( -4.260 -6.025 -1.308) 7.494 4.521 ( 0.642 4.185 -1.934) 4.654 4.642 ( -4.986 -9.168 -4.462) 11.350 4.824 ( -0.124 3.411 2.812) 4.422 5.207 ( 4.634 -1.711 -3.447) 6.024 5.305 ( -4.131 -1.060 -5.811) 7.208 5.373 ( -2.689 1.168 2.172) 3.649 5.928 ( -2.186 -1.355 7.913) 8.320 6.126 ( 13.482 0.603 5.005) 14.394 ======================= Grid point 257 (128/203) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 2.751 3.927 -0.775) 4.857 1.752 ( 11.169 4.621 -8.055) 14.525 2.004 ( -3.658 2.136 0.468) 4.262 2.140 ( 1.713 3.632 2.282) 4.619 2.745 ( 2.115 1.898 -3.153) 4.245 2.827 ( 5.590 8.716 -0.242) 10.357 3.507 ( -8.212 -4.042 -2.492) 9.486 3.722 ( -0.691 -0.588 0.700) 1.146 3.732 ( 1.788 0.524 -1.695) 2.519 4.158 ( -2.671 6.479 -3.165) 7.690 4.229 ( -3.333 -4.399 0.097) 5.520 4.279 ( 0.959 -5.299 -0.872) 5.455 4.365 ( -1.408 -6.489 -0.439) 6.655 4.501 ( -1.634 2.367 -3.950) 4.886 4.563 ( -1.796 -2.228 -2.727) 3.953 4.823 ( -1.971 4.682 3.321) 6.069 5.109 ( -9.787 4.980 3.690) 11.585 5.302 ( 4.028 -3.697 -4.976) 7.392 5.388 ( 1.514 -3.616 0.895) 4.021 5.941 ( -0.499 1.605 4.033) 4.369 6.386 ( 11.615 -2.596 3.986) 12.551 ======================= Grid point 258 (129/203) ======================= q-point: (-0.38 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 0.619 3.797 -1.098) 4.001 1.864 ( 2.824 5.564 -5.709) 8.457 1.960 ( 2.431 5.652 -0.241) 6.157 2.281 ( 10.047 1.340 1.130) 10.199 2.763 ( 1.345 3.344 -2.185) 4.215 2.913 ( 5.261 3.011 -3.913) 7.215 3.353 ( -6.875 -4.013 1.012) 8.025 3.689 ( -0.551 0.103 -0.559) 0.792 3.809 ( 4.533 0.170 0.120) 4.538 4.078 ( -3.918 2.148 -2.897) 5.325 4.192 ( -0.034 -0.270 -0.370) 0.459 4.280 ( -0.823 -5.090 1.393) 5.341 4.400 ( 2.987 0.541 -0.499) 3.077 4.414 ( -3.022 0.267 -4.222) 5.199 4.534 ( -0.494 -0.744 -0.881) 1.254 4.808 ( -1.153 4.802 3.052) 5.805 4.981 ( -7.104 3.558 4.016) 8.903 5.334 ( 2.403 -4.963 -3.927) 6.770 5.416 ( 0.970 -2.743 0.250) 2.921 5.950 ( -0.484 2.774 1.626) 3.252 6.572 ( 6.685 -5.200 1.817) 8.663 ======================= Grid point 259 (130/203) ======================= q-point: (-0.25 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -0.562 5.326 -1.508) 5.564 1.837 ( -1.931 9.557 0.687) 9.775 2.039 ( 4.622 3.809 -2.245) 6.396 2.437 ( 5.736 3.857 -1.166) 7.010 2.737 ( -3.335 5.969 -1.470) 6.994 2.979 ( 4.565 -0.168 -5.022) 6.789 3.330 ( 3.596 -3.239 4.483) 6.597 3.707 ( 2.961 -1.145 -0.146) 3.178 3.877 ( 2.276 0.884 0.636) 2.523 3.995 ( -3.357 0.571 -2.071) 3.986 4.209 ( -0.333 -2.291 1.301) 2.655 4.253 ( -0.441 6.682 -2.289) 7.077 4.348 ( -0.027 -1.120 0.198) 1.137 4.502 ( 6.414 0.458 -0.232) 6.435 4.535 ( 1.328 -0.601 -0.901) 1.714 4.826 ( 1.242 2.821 2.002) 3.676 4.884 ( -5.743 2.607 1.917) 6.592 5.341 ( 0.444 -5.174 -2.850) 5.924 5.427 ( 0.383 -2.044 0.028) 2.080 5.939 ( -1.233 2.428 0.077) 2.724 6.637 ( -0.077 -7.277 -0.849) 7.326 ======================= Grid point 260 (131/203) ======================= q-point: (-0.12 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -1.809 7.025 -1.347) 7.378 1.815 ( -2.338 12.262 3.715) 13.023 2.082 ( 1.286 1.822 -0.870) 2.394 2.450 ( -2.177 9.952 -4.055) 10.965 2.682 ( -0.588 6.529 -0.470) 6.573 2.986 ( -2.663 -0.951 0.535) 2.878 3.497 ( 9.993 0.509 1.996) 10.203 3.795 ( 5.651 -3.192 1.665) 6.700 3.869 ( -3.937 -0.597 1.777) 4.360 3.971 ( 4.030 3.706 -4.850) 7.314 4.174 ( -1.744 3.298 0.839) 3.824 4.278 ( 2.603 -2.279 -3.402) 4.852 4.402 ( 4.250 1.219 4.649) 6.415 4.553 ( 1.737 -1.103 -0.943) 2.264 4.636 ( 7.366 2.840 -0.091) 7.895 4.779 ( -4.939 2.577 -1.603) 5.797 4.887 ( 3.575 0.539 0.652) 3.673 5.317 ( -1.524 -5.271 -1.275) 5.633 5.436 ( 0.551 -0.620 0.274) 0.874 5.908 ( -2.041 1.385 -0.505) 2.518 6.557 ( -7.307 -8.407 -3.170) 11.580 ======================= Grid point 261 (132/203) ======================= q-point: ( 0.00 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 0.094 6.799 -2.025) 7.095 1.932 ( -6.754 2.378 5.437) 8.991 2.178 ( 0.564 7.595 0.170) 7.617 2.589 ( 2.963 3.144 -2.564) 5.023 2.750 ( -7.750 1.610 2.910) 8.433 2.952 ( 1.041 5.240 2.228) 5.789 3.674 ( 5.001 0.181 1.269) 5.162 3.791 ( -2.448 0.235 1.335) 2.798 3.855 ( 3.531 -0.971 1.452) 3.939 4.114 ( 4.856 2.519 -6.715) 8.661 4.171 ( 5.426 -6.925 -1.982) 9.019 4.254 ( 2.381 -1.357 -3.510) 4.454 4.514 ( 2.226 2.740 2.537) 4.348 4.591 ( 3.737 0.759 -0.254) 3.822 4.707 ( -1.043 -1.569 -4.609) 4.980 4.745 ( -4.196 2.015 -2.929) 5.499 4.932 ( 6.042 -3.411 -6.335) 9.396 5.183 ( -2.597 -3.740 4.769) 6.593 5.526 ( 4.542 3.730 1.281) 6.015 5.924 ( -3.705 4.790 2.281) 6.471 6.197 ( -10.440 -7.161 -1.407) 12.738 ======================= Grid point 262 (133/203) ======================= q-point: ( 0.12 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -0.246 8.011 -1.389) 8.134 1.832 ( -7.041 3.348 3.819) 8.682 2.157 ( -2.412 6.212 -0.242) 6.668 2.593 ( -10.494 -1.780 1.683) 10.776 2.640 ( 4.346 3.739 -2.795) 6.378 2.987 ( 1.271 12.340 0.598) 12.419 3.709 ( -0.940 -1.993 0.893) 2.377 3.748 ( -2.402 2.437 -0.111) 3.423 3.896 ( -0.188 -0.026 1.984) 1.993 4.102 ( -0.589 -2.388 -0.461) 2.503 4.285 ( 2.974 0.151 -3.448) 4.556 4.326 ( 7.913 -9.627 -5.496) 13.620 4.552 ( -2.836 -0.275 -1.048) 3.036 4.572 ( -1.397 1.934 0.590) 2.458 4.635 ( -2.762 0.379 -5.146) 5.853 4.743 ( 4.932 -1.322 -0.903) 5.185 4.977 ( 4.004 -3.649 -7.694) 9.410 5.185 ( -0.435 -3.387 4.965) 6.026 5.623 ( 5.477 4.852 -0.853) 7.367 5.891 ( -2.533 2.674 6.148) 7.167 6.005 ( -9.113 -2.349 -0.117) 9.412 ======================= Grid point 263 (134/203) ======================= q-point: ( 0.25 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.471 7.494 -2.379) 7.877 1.737 ( -4.144 4.192 -0.241) 5.900 2.107 ( -2.353 4.100 -0.778) 4.791 2.407 ( -10.342 -2.310 0.860) 10.632 2.703 ( 4.374 2.655 -3.693) 6.310 2.999 ( 0.322 14.353 -1.031) 14.394 3.667 ( -3.612 -3.652 -0.911) 5.217 3.708 ( -1.606 2.534 -0.471) 3.037 3.873 ( -2.932 1.066 0.346) 3.139 4.115 ( 1.497 -4.437 1.874) 5.043 4.290 ( -2.133 -5.923 -4.958) 8.013 4.328 ( -1.209 -4.588 -4.821) 6.765 4.408 ( -7.813 -2.703 -1.558) 8.413 4.573 ( -0.995 -2.344 -5.776) 6.312 4.607 ( 1.711 2.868 0.943) 3.470 4.833 ( 4.055 1.054 0.452) 4.214 5.038 ( 7.125 -2.498 -3.950) 8.521 5.208 ( 0.315 -3.601 2.132) 4.197 5.645 ( -5.842 4.733 2.042) 7.791 5.885 ( 0.579 -1.113 2.517) 2.812 5.964 ( 3.622 3.143 4.574) 6.627 ======================= Grid point 264 (135/203) ======================= q-point: ( 0.38 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.673 5.666 -3.648) 6.773 1.709 ( 3.887 2.811 -5.528) 7.319 2.070 ( -1.255 2.065 -0.824) 2.553 2.249 ( -6.952 -0.214 0.308) 6.962 2.749 ( 3.435 1.393 -4.792) 6.058 2.990 ( -0.194 11.022 -2.122) 11.227 3.565 ( -6.461 -4.747 -2.596) 8.427 3.694 ( 0.402 1.598 -0.306) 1.676 3.810 ( -3.519 1.798 -0.568) 3.992 4.153 ( -3.367 -6.616 -2.337) 7.782 4.175 ( -0.006 -10.877 -0.698) 10.899 4.261 ( -3.960 -2.060 -1.902) 4.852 4.315 ( -1.203 3.269 -3.174) 4.712 4.521 ( -1.411 -3.487 -5.406) 6.586 4.634 ( 0.632 4.005 0.325) 4.067 4.888 ( 1.682 2.326 1.706) 3.339 5.155 ( 6.405 -2.455 -1.630) 7.051 5.219 ( -0.467 -3.357 1.880) 3.876 5.486 ( -12.079 4.538 5.648) 14.085 5.946 ( 4.060 2.801 -0.054) 4.933 6.115 ( 8.662 -1.700 4.883) 10.088 ======================= Grid point 265 (136/203) ======================= q-point: (-0.50 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 1.196 2.863 -3.291) 4.523 1.810 ( 11.366 1.360 -9.797) 15.067 2.047 ( -0.992 1.823 -0.122) 2.079 2.184 ( 0.261 0.809 0.018) 0.851 2.777 ( 3.422 1.224 -5.909) 6.937 2.966 ( -0.770 4.491 -3.254) 5.599 3.422 ( -7.180 -3.458 -1.533) 8.116 3.705 ( -0.400 -0.757 0.412) 0.950 3.767 ( 0.935 2.968 -1.800) 3.595 4.048 ( -3.668 -10.537 -2.222) 11.376 4.188 ( 0.134 -1.287 -1.517) 1.993 4.263 ( 1.369 -0.094 -1.621) 2.124 4.286 ( 2.339 0.826 -0.379) 2.510 4.455 ( -2.447 -3.947 -5.082) 6.885 4.629 ( -1.413 4.372 0.562) 4.629 4.919 ( 0.480 4.007 2.136) 4.566 5.183 ( -9.094 1.206 9.732) 13.375 5.223 ( 2.801 -3.191 -4.230) 5.993 5.350 ( -2.519 -0.192 0.964) 2.704 6.012 ( 2.844 5.363 0.581) 6.098 6.297 ( 8.038 -5.956 3.334) 10.545 ======================= Grid point 266 (137/203) ======================= q-point: (-0.38 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 2.113 1.892 -3.173) 4.256 1.950 ( 7.962 2.306 -7.213) 10.988 2.045 ( 1.377 3.399 -0.525) 3.704 2.268 ( 8.616 -2.081 0.239) 8.867 2.814 ( 4.543 1.907 -6.305) 8.001 2.929 ( -0.069 -0.927 -5.008) 5.094 3.312 ( -4.805 -0.505 2.499) 5.440 3.690 ( -0.163 0.181 -0.366) 0.440 3.813 ( 3.284 0.143 -0.272) 3.298 4.002 ( -0.113 -5.216 -1.945) 5.568 4.194 ( 0.676 -0.006 -0.906) 1.131 4.245 ( 0.938 1.138 -2.009) 2.492 4.366 ( -1.521 -4.154 -4.778) 6.511 4.412 ( 6.754 -0.141 -0.073) 6.755 4.593 ( -3.010 4.460 1.177) 5.508 4.928 ( -1.078 5.786 2.508) 6.398 5.036 ( -10.298 1.507 6.360) 12.197 5.237 ( 1.454 -4.127 -3.368) 5.522 5.364 ( 1.496 -2.137 0.828) 2.737 6.047 ( 0.521 6.899 0.582) 6.943 6.425 ( 4.067 -8.921 1.732) 9.956 ======================= Grid point 267 (138/203) ======================= q-point: (-0.25 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 1.881 2.968 -3.209) 4.759 2.010 ( 1.805 4.600 -0.714) 4.993 2.082 ( 2.806 3.458 -1.005) 4.565 2.441 ( 8.479 -2.987 0.328) 8.996 2.827 ( -1.063 3.119 -0.015) 3.295 2.951 ( 5.737 -1.915 -8.190) 10.181 3.304 ( 3.329 0.279 3.634) 4.936 3.706 ( 2.239 0.842 -0.562) 2.457 3.847 ( -0.249 -3.508 1.680) 3.897 4.012 ( 2.400 2.506 -3.541) 4.958 4.191 ( -0.232 0.058 -0.492) 0.547 4.290 ( -0.119 -1.858 -5.079) 5.409 4.303 ( 3.561 -2.563 0.423) 4.408 4.547 ( -2.460 3.664 1.638) 4.707 4.574 ( 10.533 1.820 -3.182) 11.153 4.894 ( -6.345 0.470 4.319) 7.690 4.923 ( -2.652 4.094 -0.185) 4.882 5.235 ( -0.015 -4.717 -2.198) 5.204 5.399 ( 1.623 -0.778 1.914) 2.628 6.036 ( -1.996 7.238 0.395) 7.519 6.454 ( -1.535 -10.380 -0.066) 10.493 ======================= Grid point 268 (139/203) ======================= q-point: (-0.12 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 0.898 4.815 -2.888) 5.686 2.002 ( -3.561 2.689 3.514) 5.680 2.137 ( 3.333 7.091 -0.077) 7.835 2.548 ( 3.801 -0.680 -1.429) 4.118 2.813 ( -1.738 5.835 3.155) 6.858 2.956 ( -1.806 -1.753 -0.194) 2.524 3.490 ( 13.552 -0.299 -0.157) 13.556 3.762 ( 4.030 -0.103 -0.117) 4.033 3.833 ( -1.880 -2.434 1.534) 3.436 4.039 ( 3.959 3.422 -5.357) 7.489 4.178 ( -1.126 -1.461 -0.244) 1.861 4.250 ( 0.347 -1.839 -4.135) 4.539 4.424 ( 6.737 0.286 0.961) 6.811 4.534 ( 0.504 1.540 1.585) 2.267 4.724 ( 7.297 2.499 -7.469) 10.737 4.805 ( -3.351 -0.664 -0.718) 3.491 4.889 ( -1.404 1.165 1.231) 2.201 5.211 ( -1.880 -4.495 0.573) 4.906 5.450 ( 2.776 1.382 2.247) 3.829 5.986 ( -3.693 6.374 0.709) 7.400 6.369 ( -7.056 -9.899 -1.460) 12.244 ======================= Grid point 269 (140/203) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 1.919 0.000 -3.179) 3.713 1.935 ( -6.800 0.000 6.454) 9.376 2.297 ( -0.573 0.000 -0.355) 0.674 2.566 ( 1.551 0.000 2.188) 2.682 2.786 ( -7.605 0.000 -1.010) 7.672 3.023 ( 5.419 -0.000 7.666) 9.388 3.672 ( 3.878 0.000 -0.002) 3.878 3.796 ( 0.145 0.000 0.642) 0.658 3.858 ( 5.789 0.000 0.212) 5.793 4.063 ( -2.512 -0.000 -3.270) 4.123 4.145 ( 6.014 -0.000 -8.447) 10.369 4.237 ( 3.358 0.000 -3.701) 4.998 4.562 ( 2.477 -0.000 1.943) 3.148 4.602 ( 4.939 0.000 1.051) 5.050 4.664 ( -2.106 0.000 -6.184) 6.533 4.796 ( -6.275 -0.000 -3.465) 7.168 4.875 ( 6.318 0.000 -8.206) 10.356 5.142 ( -2.715 0.000 7.289) 7.778 5.568 ( 5.953 0.000 0.060) 5.954 6.046 ( -9.239 0.000 5.657) 10.833 6.055 ( -4.481 -0.000 -1.977) 4.897 ======================= Grid point 271 (141/203) ======================= q-point: ( 0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 1.148 -0.000 -3.378) 3.568 1.841 ( -7.047 0.000 5.321) 8.830 2.250 ( -4.077 0.000 0.080) 4.077 2.525 ( -8.625 0.000 3.073) 9.156 2.703 ( 1.537 0.000 -4.381) 4.643 3.150 ( 3.864 0.000 4.214) 5.718 3.673 ( -2.346 0.000 0.102) 2.348 3.785 ( -1.954 0.000 1.535) 2.485 3.937 ( 1.809 0.000 2.813) 3.345 3.987 ( -3.198 -0.000 -3.671) 4.869 4.223 ( 5.603 -0.000 -9.741) 11.238 4.292 ( 4.701 0.000 -4.102) 6.239 4.566 ( -8.859 -0.000 -1.149) 8.933 4.597 ( -1.501 0.000 -6.189) 6.368 4.602 ( 1.384 0.000 1.690) 2.184 4.775 ( 5.155 0.000 -1.456) 5.356 4.917 ( 5.135 -0.000 -7.717) 9.270 5.151 ( -1.274 0.000 7.416) 7.525 5.674 ( 6.088 0.000 -2.401) 6.544 5.915 ( -8.976 0.000 7.667) 11.805 5.989 ( -1.836 -0.000 0.408) 1.881 ======================= Grid point 273 (142/203) ======================= q-point: ( 0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -0.214 -0.000 -3.698) 3.704 1.756 ( -3.562 0.000 -0.020) 3.562 2.166 ( -4.791 0.000 0.125) 4.792 2.366 ( -8.560 0.000 0.092) 8.560 2.732 ( 3.364 0.000 -4.169) 5.358 3.191 ( -0.371 0.000 -1.804) 1.842 3.606 ( -4.705 -0.000 -0.723) 4.761 3.751 ( -2.432 0.000 1.201) 2.713 3.916 ( -2.623 0.000 -2.387) 3.546 3.980 ( 1.428 -0.000 2.455) 2.840 4.178 ( -4.214 0.000 -6.486) 7.735 4.330 ( 0.421 0.000 -4.854) 4.872 4.397 ( -5.604 -0.000 -2.156) 6.005 4.533 ( -1.933 0.000 -5.195) 5.543 4.646 ( 2.273 0.000 0.854) 2.428 4.854 ( 3.455 0.000 0.598) 3.506 5.006 ( 8.258 -0.000 -4.538) 9.423 5.171 ( -0.626 0.000 4.861) 4.901 5.690 ( -8.059 0.000 7.151) 10.774 5.878 ( 5.226 0.000 -2.878) 5.966 6.000 ( 1.391 -0.000 4.317) 4.535 ======================= Grid point 275 (143/203) ======================= q-point: ( 0.38 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -1.331 -0.000 -4.081) 4.293 1.733 ( 3.807 0.000 -6.916) 7.895 2.095 ( -2.767 0.000 -0.259) 2.779 2.241 ( -4.620 0.000 -1.278) 4.793 2.764 ( 3.132 0.000 -4.977) 5.881 3.125 ( -3.743 0.000 -6.001) 7.072 3.499 ( -6.259 -0.000 -1.010) 6.340 3.718 ( -1.632 0.000 0.477) 1.700 3.865 ( -1.468 -0.000 -1.778) 2.305 3.968 ( -4.340 0.000 -2.879) 5.208 4.114 ( 2.001 0.000 1.345) 2.411 4.244 ( -3.457 0.000 -1.961) 3.974 4.367 ( 0.676 0.000 -4.718) 4.766 4.464 ( -2.806 0.000 -4.084) 4.956 4.682 ( 1.027 0.000 0.171) 1.041 4.912 ( 2.555 0.000 1.544) 2.985 5.127 ( 6.595 0.000 -2.823) 7.174 5.184 ( -1.076 0.000 4.819) 4.938 5.531 ( -13.431 0.000 9.228) 16.296 6.000 ( 9.913 0.000 -6.746) 11.991 6.077 ( 3.001 -0.000 7.023) 7.637 ======================= Grid point 277 (144/203) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -0.039 -0.000 -4.341) 4.341 1.821 ( 11.235 0.000 -10.626) 15.464 2.068 ( 0.033 0.000 -0.505) 0.506 2.189 ( -0.070 0.000 -1.605) 1.607 2.790 ( 3.824 0.000 -6.724) 7.736 3.010 ( -4.426 0.000 -6.127) 7.558 3.385 ( -5.684 0.000 0.400) 5.698 3.697 ( -0.960 0.000 0.236) 0.988 3.862 ( 2.913 -0.000 -2.246) 3.678 3.869 ( -3.768 0.000 -2.125) 4.326 4.207 ( -0.261 -0.000 -0.537) 0.597 4.210 ( 6.265 0.000 1.167) 6.373 4.339 ( -0.474 0.000 -5.251) 5.273 4.388 ( -2.999 0.000 -2.515) 3.914 4.681 ( -1.261 0.000 0.396) 1.322 4.965 ( 2.213 -0.000 1.176) 2.506 5.171 ( -1.766 0.000 0.833) 1.953 5.199 ( -2.285 0.000 7.013) 7.376 5.356 ( -7.237 0.000 2.308) 7.596 6.132 ( 8.307 0.000 -5.728) 10.090 6.171 ( 2.341 -0.000 7.090) 7.467 ======================= Grid point 279 (145/203) ======================= q-point: (-0.38 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 2.460 -0.000 -4.068) 4.754 1.967 ( 8.900 0.000 -7.840) 11.861 2.092 ( 2.973 0.000 -0.296) 2.988 2.234 ( 6.599 -0.000 -1.309) 6.728 2.838 ( 7.149 0.000 -9.796) 12.127 2.911 ( -3.259 -0.000 -3.085) 4.488 3.309 ( -3.703 0.000 3.277) 4.944 3.694 ( 0.836 0.000 -0.086) 0.840 3.813 ( -1.735 -0.000 -0.406) 1.782 3.943 ( 7.026 0.000 -2.230) 7.372 4.217 ( 1.521 -0.000 -0.043) 1.521 4.262 ( -1.815 0.000 -3.332) 3.794 4.295 ( -0.901 0.000 -5.015) 5.095 4.407 ( 7.690 0.000 0.562) 7.711 4.648 ( -2.623 0.000 0.976) 2.799 4.998 ( 0.754 -0.000 0.162) 0.772 5.047 ( -12.612 0.000 8.644) 15.290 5.187 ( 0.351 0.000 -2.617) 2.640 5.340 ( 1.669 0.000 1.420) 2.191 6.220 ( 4.069 0.000 -3.375) 5.286 6.230 ( 0.036 -0.000 4.823) 4.823 ======================= Grid point 281 (146/203) ======================= q-point: (-0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 3.104 0.000 -3.516) 4.690 2.023 ( 1.008 0.000 -1.602) 1.893 2.171 ( 5.532 0.000 0.031) 5.532 2.380 ( 7.888 -0.000 0.663) 7.916 2.865 ( -1.029 0.000 1.581) 1.887 2.924 ( 7.151 -0.000 -10.138) 12.407 3.311 ( 3.358 0.000 3.013) 4.511 3.725 ( 2.507 0.000 -0.256) 2.520 3.794 ( -0.678 -0.000 0.859) 1.094 4.058 ( 5.804 -0.000 -2.098) 6.171 4.193 ( -2.724 0.000 -3.425) 4.376 4.249 ( -0.383 0.000 -3.417) 3.438 4.277 ( 5.173 -0.000 -1.004) 5.270 4.582 ( 11.185 -0.000 -2.639) 11.492 4.605 ( -2.687 0.000 1.474) 3.065 4.881 ( -8.940 0.000 2.626) 9.317 4.987 ( -1.793 -0.000 -0.883) 1.999 5.176 ( -0.500 0.000 -0.926) 1.053 5.391 ( 2.510 0.000 3.011) 3.920 6.224 ( -2.779 0.000 1.460) 3.139 6.233 ( -1.360 -0.000 -0.579) 1.478 ======================= Grid point 283 (147/203) ======================= q-point: (-0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 2.493 0.000 -3.198) 4.055 2.002 ( -3.762 0.000 3.554) 5.176 2.266 ( 4.142 0.000 -0.281) 4.152 2.498 ( 4.426 -0.000 1.748) 4.759 2.902 ( 2.669 0.000 6.257) 6.802 2.913 ( -4.249 -0.000 -1.972) 4.684 3.491 ( 14.398 0.000 -2.746) 14.658 3.771 ( 2.310 0.000 -0.111) 2.312 3.797 ( 0.723 -0.000 0.778) 1.062 4.100 ( 0.571 -0.000 -2.363) 2.431 4.138 ( -0.335 0.000 -4.712) 4.724 4.224 ( 0.521 0.000 -3.592) 3.630 4.419 ( 9.646 0.000 -0.199) 9.648 4.576 ( -1.347 0.000 1.870) 2.305 4.738 ( 3.267 0.000 -8.996) 9.571 4.776 ( 2.241 0.000 0.531) 2.303 4.919 ( -4.838 -0.000 -1.924) 5.206 5.158 ( -2.026 0.000 2.777) 3.437 5.468 ( 4.135 0.000 2.561) 4.864 6.153 ( -4.728 0.000 -1.367) 4.922 6.167 ( -6.346 -0.000 2.430) 6.795 ======================= Grid point 325 (148/203) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -2.826 0.000 3.258) 4.313 1.040 ( 1.113 0.000 5.222) 5.339 1.570 ( -4.413 0.000 7.698) 8.874 2.139 ( 1.429 0.000 1.371) 1.981 2.150 ( 4.891 0.000 5.226) 7.158 3.049 ( -1.130 0.000 7.849) 7.930 3.089 ( -1.391 0.000 -1.944) 2.390 3.368 ( 2.753 0.000 -5.026) 5.730 3.695 ( -0.438 0.000 0.428) 0.612 3.754 ( 0.076 0.000 0.318) 0.327 3.975 ( -4.239 0.000 4.571) 6.234 4.084 ( 1.628 0.000 -5.204) 5.452 4.104 ( -0.576 0.000 -0.884) 1.055 4.410 ( -2.099 0.000 0.515) 2.161 4.640 ( -1.299 0.000 2.354) 2.688 4.807 ( 2.533 0.000 -7.351) 7.775 5.039 ( 3.846 0.000 -0.839) 3.936 5.210 ( 0.446 0.000 1.143) 1.227 5.608 ( 2.114 0.000 -2.640) 3.382 6.206 ( -1.210 0.000 1.415) 1.862 7.468 ( -0.741 0.000 0.857) 1.133 ======================= Grid point 326 (149/203) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 11.228 0.000 5.232) 12.387 1.122 ( 5.818 0.000 0.419) 5.833 1.506 ( -7.985 0.000 9.332) 12.282 2.082 ( -10.162 0.000 -6.042) 11.822 2.102 ( -5.347 0.000 -1.881) 5.668 3.057 ( -3.223 0.000 1.239) 3.453 3.091 ( 1.675 0.000 1.514) 2.258 3.476 ( 10.740 0.000 -2.891) 11.122 3.696 ( 0.225 0.000 0.776) 0.808 3.767 ( 1.080 0.000 0.151) 1.090 4.015 ( 5.289 0.000 8.145) 9.712 4.104 ( 0.740 0.000 0.619) 0.964 4.163 ( 9.456 0.000 -3.337) 10.027 4.399 ( -0.567 0.000 2.651) 2.711 4.616 ( -2.527 0.000 2.323) 3.432 4.793 ( 0.190 0.000 -4.850) 4.853 5.146 ( 9.362 0.000 -5.532) 10.874 5.212 ( -0.491 0.000 -0.262) 0.556 5.597 ( -0.433 0.000 -5.402) 5.419 6.162 ( -4.926 0.000 1.935) 5.293 7.333 ( -14.271 0.000 1.083) 14.312 ======================= Grid point 327 (150/203) ======================= q-point: ( 0.25 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 8.698 0.000 -3.193) 9.265 1.354 ( 12.367 0.000 1.281) 12.434 1.385 ( -9.915 0.000 5.973) 11.575 1.830 ( -8.164 0.000 -9.017) 12.164 1.940 ( -10.243 0.000 -3.258) 10.748 2.913 ( -10.598 0.000 -5.165) 11.790 3.153 ( 3.002 0.000 3.335) 4.487 3.663 ( 9.618 0.000 -0.191) 9.620 3.711 ( 0.826 0.000 0.758) 1.121 3.788 ( 0.867 0.000 0.044) 0.869 4.138 ( 2.067 0.000 2.119) 2.960 4.237 ( 10.224 0.000 11.157) 15.133 4.359 ( 11.120 0.000 -1.013) 11.166 4.418 ( 3.066 0.000 2.869) 4.199 4.588 ( -1.383 0.000 1.359) 1.939 4.770 ( -0.454 0.000 -0.425) 0.622 5.190 ( -1.321 0.000 -1.423) 1.942 5.287 ( 7.419 0.000 -2.700) 7.895 5.564 ( 3.900 0.000 -10.733) 11.420 6.039 ( -9.470 0.000 -0.107) 9.470 6.994 ( -22.233 0.000 -0.977) 22.254 ======================= Grid point 328 (151/203) ======================= q-point: ( 0.38 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -14.650 0.000 -14.179) 20.388 1.394 ( 10.064 0.000 -4.812) 11.155 1.459 ( -1.240 0.000 0.261) 1.267 1.714 ( -12.695 0.000 -1.448) 12.778 1.884 ( 13.628 0.000 2.985) 13.951 2.655 ( -13.107 0.000 -6.547) 14.651 3.222 ( 2.338 0.000 2.826) 3.668 3.732 ( 0.938 0.000 0.611) 1.120 3.794 ( -0.164 0.000 -0.025) 0.165 3.797 ( 5.135 0.000 -0.475) 5.157 4.197 ( 2.493 0.000 2.682) 3.662 4.364 ( -1.228 0.000 7.378) 7.479 4.460 ( 3.336 0.000 -1.193) 3.543 4.576 ( 4.731 0.000 1.527) 4.971 4.647 ( 6.095 0.000 1.143) 6.201 4.834 ( 8.489 0.000 9.343) 12.624 5.153 ( -1.597 0.000 -1.722) 2.348 5.313 ( -5.468 0.000 6.334) 8.368 5.672 ( 11.207 0.000 -9.673) 14.804 5.841 ( -5.443 0.000 -10.193) 11.555 6.563 ( -22.479 0.000 -3.703) 22.782 ======================= Grid point 329 (152/203) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -4.699 0.000 -15.436) 16.136 1.440 ( -1.292 0.000 2.610) 2.912 1.473 ( -12.332 0.000 0.798) 12.358 1.557 ( 9.317 0.000 -2.722) 9.706 2.134 ( 5.723 0.000 2.145) 6.112 2.423 ( -3.168 0.000 -6.366) 7.111 3.263 ( 0.800 0.000 1.152) 1.403 3.746 ( 0.093 0.000 0.386) 0.397 3.787 ( -0.511 0.000 0.339) 0.613 3.837 ( -0.613 0.000 -0.237) 0.657 4.244 ( 1.027 0.000 1.314) 1.668 4.377 ( -1.274 0.000 6.339) 6.466 4.469 ( 0.504 0.000 -2.059) 2.119 4.636 ( 0.161 0.000 0.472) 0.499 4.705 ( 2.227 0.000 -1.581) 2.731 5.057 ( -1.624 0.000 8.742) 8.892 5.121 ( -0.877 0.000 -0.667) 1.102 5.247 ( -3.128 0.000 17.839) 18.111 5.565 ( -8.262 0.000 -1.650) 8.425 5.947 ( 11.649 0.000 -25.772) 28.283 6.253 ( -1.561 0.000 0.048) 1.562 ======================= Grid point 330 (153/203) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 13.635 0.000 4.307) 14.299 1.263 ( -12.495 0.000 6.241) 13.967 1.441 ( -0.376 0.000 2.192) 2.225 1.724 ( 10.033 0.000 -1.683) 10.173 1.983 ( -13.437 0.000 -4.425) 14.147 2.585 ( 15.205 0.000 -0.651) 15.219 3.262 ( -0.962 0.000 -0.857) 1.288 3.737 ( -1.070 0.000 0.168) 1.083 3.774 ( -6.618 0.000 1.499) 6.786 3.784 ( -0.301 0.000 0.837) 0.889 4.241 ( -1.350 0.000 -1.167) 1.785 4.386 ( -2.259 0.000 5.163) 5.636 4.475 ( 1.199 0.000 -1.929) 2.271 4.581 ( -6.677 0.000 0.077) 6.678 4.701 ( -1.190 0.000 -4.118) 4.286 4.892 ( -11.749 0.000 2.708) 12.057 5.119 ( 0.470 0.000 1.213) 1.301 5.254 ( -14.360 0.000 22.601) 26.777 5.538 ( 4.936 0.000 -10.498) 11.601 5.889 ( 5.977 0.000 -10.506) 12.087 6.544 ( 24.361 0.000 -1.794) 24.427 ======================= Grid point 331 (154/203) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -9.648 0.000 9.325) 13.417 1.188 ( 6.970 0.000 15.561) 17.051 1.454 ( 4.251 0.000 -1.668) 4.566 1.757 ( -6.362 0.000 -0.271) 6.368 1.895 ( 9.020 0.000 0.858) 9.061 2.841 ( 12.024 0.000 0.948) 12.061 3.220 ( -2.455 0.000 -2.647) 3.610 3.625 ( -10.819 0.000 2.879) 11.196 3.718 ( -0.978 0.000 0.132) 0.987 3.778 ( -0.978 0.000 0.851) 1.296 4.192 ( -2.501 0.000 -2.600) 3.608 4.293 ( -11.109 0.000 2.191) 11.323 4.395 ( -12.220 0.000 2.861) 12.551 4.498 ( 1.200 0.000 -6.224) 6.339 4.633 ( -1.462 0.000 -3.567) 3.855 4.773 ( -2.013 0.000 -0.430) 2.058 5.117 ( -10.112 0.000 11.486) 15.303 5.148 ( 1.279 0.000 2.381) 2.702 5.532 ( 2.484 0.000 -7.337) 7.746 6.044 ( 10.242 0.000 -0.559) 10.257 6.987 ( 23.696 0.000 -0.343) 23.698 ======================= Grid point 332 (155/203) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -4.666 0.000 8.971) 10.112 1.113 ( -12.601 0.000 2.940) 12.940 1.569 ( 1.178 0.000 4.029) 4.198 1.889 ( 14.586 0.000 10.590) 18.024 2.049 ( 6.527 0.000 2.486) 6.984 3.004 ( 3.824 0.000 4.275) 5.736 3.150 ( -2.978 0.000 -3.471) 4.574 3.445 ( -8.949 0.000 0.720) 8.978 3.704 ( -0.675 0.000 0.105) 0.683 3.762 ( -1.097 0.000 0.622) 1.260 4.093 ( -10.859 0.000 3.206) 11.322 4.135 ( -1.865 0.000 -2.192) 2.878 4.176 ( -8.504 0.000 -4.731) 9.732 4.461 ( -2.121 0.000 -2.875) 3.573 4.632 ( 0.690 0.000 1.364) 1.528 4.782 ( 3.703 0.000 -5.132) 6.329 5.033 ( -3.987 0.000 4.019) 5.661 5.185 ( 1.157 0.000 2.220) 2.504 5.563 ( 3.632 0.000 -2.275) 4.286 6.179 ( 4.189 0.000 0.366) 4.205 7.341 ( 14.219 0.000 0.045) 14.219 ======================= Grid point 333 (156/203) ======================= q-point: ( 0.00 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -3.816 6.063 4.107) 8.258 1.219 ( 2.591 14.594 5.110) 15.678 1.549 ( -4.851 -1.029 5.202) 7.187 2.088 ( 5.497 -3.193 4.443) 7.756 2.207 ( -1.857 4.604 -1.302) 5.132 3.001 ( -3.338 -1.297 2.735) 4.506 3.269 ( 4.923 12.002 4.623) 13.772 3.404 ( -0.295 4.371 -4.923) 6.590 3.763 ( -0.866 3.598 0.601) 3.749 3.780 ( 0.064 2.592 0.058) 2.594 4.026 ( 0.418 4.556 3.479) 5.748 4.140 ( -2.683 6.497 -4.511) 8.352 4.216 ( 1.401 9.805 -1.008) 9.956 4.436 ( -2.446 2.683 1.520) 3.936 4.622 ( -1.462 -1.853 2.269) 3.274 4.795 ( 3.734 -1.075 -7.710) 8.634 5.005 ( 3.431 -3.057 -0.802) 4.664 5.225 ( -0.007 1.287 0.434) 1.358 5.588 ( 2.011 -1.965 -2.134) 3.530 6.152 ( -1.345 -5.126 1.241) 5.442 7.298 ( -1.339 -15.413 1.272) 15.524 ======================= Grid point 334 (157/203) ======================= q-point: ( 0.12 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 5.905 3.669 5.734) 9.012 1.335 ( 8.409 15.570 -1.020) 17.725 1.478 ( -7.423 -2.108 9.427) 12.183 2.022 ( -8.962 -2.720 -5.875) 11.055 2.189 ( -2.524 5.733 0.824) 6.318 2.942 ( -4.242 -3.903 3.516) 6.752 3.306 ( -1.391 11.732 -4.447) 12.623 3.513 ( 11.519 4.725 -0.160) 12.451 3.742 ( -1.192 1.813 1.279) 2.519 3.773 ( -0.693 2.698 0.000) 2.785 4.089 ( 2.724 2.649 1.576) 4.113 4.141 ( 4.550 6.495 2.924) 8.452 4.285 ( 7.606 10.902 -2.479) 13.523 4.421 ( -0.941 2.313 3.450) 4.259 4.596 ( -2.378 -1.772 2.098) 3.633 4.797 ( 0.929 0.571 -5.563) 5.669 5.090 ( 6.830 -4.323 -5.699) 9.890 5.240 ( 1.977 1.641 0.230) 2.580 5.587 ( 0.558 -1.114 -5.068) 5.219 6.102 ( -5.224 -5.567 2.224) 7.952 7.175 ( -12.943 -14.361 2.213) 19.459 ======================= Grid point 335 (158/203) ======================= q-point: ( 0.25 0.08 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 6.128 1.520 1.809) 6.568 1.351 ( -4.954 -1.241 0.769) 5.164 1.534 ( 7.650 13.509 2.350) 15.702 1.831 ( -4.534 1.759 -5.496) 7.339 2.073 ( -9.147 9.862 -2.072) 13.610 2.864 ( -7.237 -3.451 -0.411) 8.028 3.248 ( -0.759 7.829 -2.212) 8.171 3.684 ( 6.069 1.499 -0.847) 6.309 3.755 ( 0.633 4.254 0.244) 4.308 3.778 ( 2.727 0.111 1.508) 3.118 4.140 ( 2.141 1.167 1.836) 3.052 4.291 ( 7.491 2.732 5.490) 9.680 4.412 ( 0.600 2.859 2.549) 3.877 4.475 ( 9.905 6.839 0.810) 12.064 4.576 ( -0.303 -0.728 1.235) 1.466 4.780 ( 0.207 1.222 -1.109) 1.663 5.129 ( 1.436 -4.529 -6.210) 7.819 5.309 ( 2.788 0.845 2.029) 3.550 5.595 ( 7.605 2.514 -10.467) 13.180 5.982 ( -9.247 -5.245 0.978) 10.676 6.878 ( -20.267 -10.516 1.226) 22.866 ======================= Grid point 336 (159/203) ======================= q-point: ( 0.38 0.08 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -9.544 3.303 -9.065) 13.572 1.428 ( 4.110 0.807 1.796) 4.557 1.576 ( 2.472 10.747 -3.888) 11.693 1.858 ( -10.235 10.175 -2.177) 14.595 1.948 ( 11.963 8.105 3.104) 14.779 2.662 ( -11.984 0.854 -5.506) 13.216 3.273 ( 2.351 4.792 2.388) 5.848 3.737 ( 1.262 -1.961 -0.345) 2.357 3.759 ( 0.172 2.200 0.098) 2.209 3.853 ( 3.122 2.110 0.268) 3.778 4.187 ( 1.693 0.012 2.101) 2.698 4.392 ( -1.419 2.204 6.326) 6.847 4.438 ( 3.060 -2.215 -1.258) 3.981 4.584 ( 2.835 0.385 1.074) 3.056 4.656 ( 4.108 0.709 0.053) 4.169 4.862 ( 8.082 2.229 7.737) 11.408 5.103 ( 0.923 -3.243 -6.176) 7.036 5.297 ( -6.309 -1.565 6.463) 9.166 5.779 ( 19.044 6.816 -13.272) 24.192 5.787 ( -11.262 -3.355 -2.035) 11.926 6.494 ( -21.119 -6.013 -0.815) 21.973 ======================= Grid point 337 (160/203) ======================= q-point: (-0.50 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -1.315 11.861 -10.377) 15.815 1.447 ( -1.122 0.787 2.535) 2.882 1.632 ( -10.928 11.609 2.016) 16.070 1.692 ( 8.283 12.046 -3.791) 15.102 2.188 ( 5.957 6.109 2.162) 8.803 2.438 ( -3.729 1.755 -6.167) 7.418 3.323 ( 1.246 5.594 1.385) 5.896 3.741 ( -0.674 -2.606 0.264) 2.704 3.761 ( -0.082 1.344 0.150) 1.355 3.877 ( -0.651 1.749 0.407) 1.910 4.220 ( 0.760 -1.624 1.212) 2.164 4.390 ( -1.758 0.791 4.481) 4.878 4.465 ( 1.267 -0.407 -1.094) 1.723 4.622 ( -0.055 -1.475 0.545) 1.573 4.699 ( 2.074 -0.515 -1.640) 2.694 4.970 ( -3.465 -6.841 6.898) 10.314 5.127 ( -6.576 1.283 0.339) 6.709 5.248 ( 5.397 -0.825 10.609) 11.931 5.591 ( -7.409 0.242 -3.184) 8.068 6.020 ( 5.846 7.204 -16.247) 18.710 6.214 ( 2.455 -3.169 0.001) 4.009 ======================= Grid point 338 (161/203) ======================= q-point: (-0.38 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 9.972 12.075 0.274) 15.663 1.420 ( -7.975 6.590 2.213) 10.580 1.471 ( -2.535 8.277 4.928) 9.961 1.852 ( 9.065 10.334 -1.134) 13.793 2.042 ( -12.250 7.110 -4.245) 14.786 2.596 ( 14.681 1.375 -0.292) 14.748 3.321 ( -1.474 5.375 -1.476) 5.765 3.717 ( -2.895 -2.277 1.634) 4.029 3.757 ( -0.507 1.589 0.334) 1.701 3.840 ( -3.457 2.325 1.092) 4.307 4.225 ( -0.508 -1.347 -0.824) 1.658 4.377 ( -3.104 -1.199 3.707) 4.981 4.483 ( 1.543 0.650 -1.299) 2.119 4.583 ( -4.322 -0.026 0.353) 4.337 4.696 ( -1.239 -0.336 -3.458) 3.689 4.908 ( -11.560 1.400 4.849) 12.614 4.948 ( -5.122 -9.521 6.362) 12.544 5.391 ( -3.763 5.198 13.094) 14.582 5.514 ( 2.716 -1.575 -9.165) 9.688 5.905 ( 1.656 1.675 -7.816) 8.163 6.528 ( 22.923 -1.090 -3.777) 23.258 ======================= Grid point 339 (162/203) ======================= q-point: (-0.25 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 1.749 6.762 8.421) 10.941 1.285 ( -7.395 6.289 4.293) 10.615 1.541 ( 7.142 9.152 2.289) 11.832 1.795 ( -7.919 4.275 -0.889) 9.043 2.038 ( 8.545 12.135 0.918) 14.871 2.843 ( 11.475 0.305 0.479) 11.489 3.264 ( -2.909 3.969 -2.486) 5.513 3.637 ( -7.668 1.453 3.361) 8.497 3.751 ( -0.346 2.971 0.474) 3.028 3.790 ( -1.889 1.129 0.001) 2.201 4.188 ( -2.912 -0.007 -2.600) 3.904 4.287 ( -8.131 -0.680 3.401) 8.840 4.470 ( -7.919 5.765 3.903) 10.545 4.514 ( 0.100 1.816 -5.128) 5.441 4.617 ( -2.410 -1.260 -3.296) 4.273 4.765 ( -3.090 -0.752 0.163) 3.184 4.957 ( -1.119 -7.343 8.570) 11.341 5.320 ( -6.741 7.865 3.317) 10.876 5.514 ( 2.494 -1.482 -5.533) 6.247 6.008 ( 8.786 -3.308 -1.239) 9.469 6.913 ( 20.409 -6.460 -1.939) 21.495 ======================= Grid point 340 (163/203) ======================= q-point: (-0.12 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -8.074 5.003 0.395) 9.507 1.189 ( -4.822 10.941 10.908) 16.185 1.596 ( -2.032 4.048 -0.061) 4.529 1.877 ( 11.363 0.544 7.407) 13.575 2.179 ( 5.180 9.319 1.557) 10.775 2.989 ( 4.018 -0.871 0.783) 4.185 3.215 ( -1.043 5.615 0.975) 5.794 3.500 ( -7.933 5.350 1.138) 9.636 3.756 ( 0.860 4.233 -0.009) 4.320 3.776 ( 0.146 1.316 -0.278) 1.353 4.075 ( -7.093 -0.144 1.670) 7.288 4.207 ( -1.933 5.679 -0.797) 6.051 4.288 ( -8.942 9.557 -2.193) 13.270 4.482 ( -2.092 2.013 -1.512) 3.273 4.615 ( 0.807 -1.778 1.205) 2.294 4.763 ( 3.075 -1.703 -4.405) 5.636 4.978 ( -0.760 -4.211 4.187) 5.987 5.241 ( -2.423 4.128 0.008) 4.787 5.547 ( 3.111 -1.491 -1.483) 3.755 6.127 ( 4.048 -4.853 -0.055) 6.319 7.203 ( 11.409 -12.399 -0.443) 16.856 ======================= Grid point 341 (164/203) ======================= q-point: ( 0.00 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -3.408 8.372 3.874) 9.834 1.473 ( 0.806 6.606 9.198) 11.353 1.642 ( -3.502 13.418 -4.095) 14.460 2.041 ( 1.995 -0.986 0.595) 2.304 2.332 ( -1.051 7.390 -1.255) 7.569 2.985 ( -3.896 -0.586 2.020) 4.427 3.450 ( 6.411 5.842 -0.086) 8.674 3.608 ( -0.843 13.435 0.977) 13.497 3.807 ( -3.319 1.549 1.823) 4.091 3.839 ( 2.383 2.500 -1.016) 3.600 4.120 ( 1.882 4.682 3.407) 6.089 4.296 ( -2.946 6.651 -4.560) 8.586 4.474 ( 2.326 12.580 -0.249) 12.795 4.514 ( -4.251 2.489 5.183) 7.150 4.577 ( 1.342 0.076 -0.008) 1.345 4.774 ( 6.378 -0.472 -6.771) 9.314 4.932 ( 2.470 -3.659 -0.711) 4.472 5.258 ( -1.225 1.888 -1.199) 2.550 5.526 ( 1.305 -4.083 -1.254) 4.466 6.015 ( -1.523 -7.482 0.661) 7.664 6.911 ( -2.920 -20.268 0.873) 20.495 ======================= Grid point 342 (165/203) ======================= q-point: ( 0.12 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 1.978 6.740 5.859) 9.147 1.454 ( -6.927 1.417 5.520) 8.970 1.689 ( 8.183 17.205 0.949) 19.075 1.992 ( -5.105 0.049 -2.985) 5.914 2.329 ( -0.516 7.870 1.041) 7.955 2.888 ( -7.380 -1.894 4.064) 8.635 3.493 ( 0.262 6.756 -6.463) 9.353 3.665 ( 3.989 6.713 0.437) 7.821 3.777 ( -0.194 3.364 2.311) 4.086 3.875 ( 1.883 6.431 -0.931) 6.766 4.138 ( 0.013 3.158 -0.714) 3.237 4.283 ( 2.278 5.926 2.285) 6.748 4.463 ( -3.835 -0.149 4.477) 5.897 4.529 ( 3.320 6.948 -1.178) 7.790 4.598 ( 2.018 6.905 -1.349) 7.320 4.830 ( 3.069 2.953 -7.381) 8.521 4.991 ( 6.397 -4.848 -6.903) 10.586 5.267 ( 1.913 0.859 1.884) 2.819 5.539 ( 2.324 -3.894 -3.529) 5.746 5.957 ( -5.549 -7.553 2.658) 9.742 6.812 ( -9.765 -19.130 4.809) 22.010 ======================= Grid point 343 (166/203) ======================= q-point: ( 0.25 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 5.828 4.086 4.532) 8.438 1.352 ( -6.080 2.579 3.130) 7.309 1.815 ( -0.234 10.164 -0.813) 10.199 1.931 ( 5.798 9.782 -0.977) 11.413 2.276 ( -6.152 9.395 1.075) 11.281 2.797 ( -5.309 -2.957 3.192) 6.864 3.432 ( -1.908 9.256 -5.555) 10.962 3.694 ( 0.778 -0.101 0.637) 1.011 3.805 ( 0.521 2.038 -0.396) 2.141 3.902 ( 1.740 9.267 -1.079) 9.491 4.170 ( 3.177 1.292 0.441) 3.458 4.340 ( 2.469 1.941 -0.199) 3.147 4.436 ( -2.087 -0.027 4.945) 5.367 4.564 ( 0.572 1.135 1.756) 2.167 4.649 ( 3.521 6.358 -1.898) 7.512 4.832 ( 2.976 3.719 -5.029) 6.927 5.037 ( 4.127 -3.802 -9.927) 11.403 5.305 ( -1.569 -1.238 4.206) 4.657 5.608 ( 9.091 -3.837 -8.449) 12.990 5.870 ( -4.505 -3.017 3.716) 6.573 6.620 ( -15.025 -13.009 6.996) 21.070 ======================= Grid point 344 (167/203) ======================= q-point: ( 0.38 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -3.636 8.488 -1.299) 9.325 1.446 ( 3.733 1.289 2.470) 4.658 1.789 ( 2.671 8.719 -2.328) 9.412 2.028 ( -3.750 8.045 0.209) 8.879 2.217 ( 4.977 14.196 2.610) 15.268 2.693 ( -7.546 1.918 -1.707) 7.971 3.408 ( 1.689 7.941 0.428) 8.130 3.717 ( 0.640 -0.054 0.246) 0.688 3.793 ( -0.731 0.026 -0.758) 1.053 3.905 ( -0.873 3.995 -0.876) 4.182 4.217 ( 1.171 2.663 0.072) 2.910 4.377 ( 2.661 -3.283 -1.889) 4.629 4.435 ( -1.351 1.643 4.520) 4.996 4.578 ( -0.095 -1.334 0.627) 1.477 4.669 ( 0.659 0.415 -1.091) 1.340 4.881 ( 1.599 -0.999 -1.369) 2.330 5.076 ( 7.769 0.636 -6.505) 10.153 5.253 ( -6.798 -2.455 5.655) 9.177 5.634 ( -2.033 -8.848 -7.056) 11.498 5.956 ( 13.386 6.849 -2.302) 15.211 6.368 ( -16.545 -4.705 6.724) 18.469 ======================= Grid point 345 (168/203) ======================= q-point: (-0.50 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 2.828 13.797 -5.084) 14.973 1.475 ( -0.810 2.036 1.963) 2.942 1.864 ( -8.673 9.953 1.551) 13.292 1.904 ( 7.205 7.032 -1.688) 10.209 2.411 ( 9.922 13.368 2.987) 16.913 2.514 ( -7.655 6.572 -5.792) 11.634 3.474 ( 2.836 8.421 2.211) 9.156 3.689 ( -2.529 -2.733 -0.593) 3.771 3.797 ( 0.593 1.849 0.704) 2.065 3.873 ( -1.682 -1.788 -0.020) 2.455 4.218 ( -0.687 1.962 0.026) 2.079 4.391 ( -1.296 -0.786 0.617) 1.637 4.454 ( 1.650 -0.827 1.406) 2.320 4.570 ( -0.759 -3.504 0.675) 3.648 4.681 ( 1.435 -1.771 -2.217) 3.180 4.841 ( -4.724 -4.901 1.848) 7.053 5.127 ( -10.670 -1.924 6.938) 12.872 5.240 ( 10.835 0.680 -2.800) 11.212 5.546 ( -2.809 -3.769 -3.890) 6.101 6.106 ( -11.018 -2.758 3.360) 11.845 6.246 ( 16.012 8.972 -6.156) 19.359 ======================= Grid point 346 (169/203) ======================= q-point: (-0.38 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 6.305 14.231 -4.440) 16.186 1.463 ( -1.678 1.775 0.584) 2.512 1.717 ( -6.161 10.136 4.039) 12.530 2.043 ( 5.157 8.354 -1.036) 9.872 2.304 ( -6.568 15.344 -4.729) 17.347 2.658 ( 12.286 4.932 0.435) 13.246 3.458 ( -3.899 6.946 -3.080) 8.540 3.688 ( 0.731 -0.322 3.390) 3.483 3.792 ( -0.663 0.921 -0.550) 1.261 3.864 ( -0.553 0.505 2.574) 2.680 4.208 ( -0.368 0.371 1.539) 1.625 4.336 ( -5.397 -2.392 0.714) 5.946 4.492 ( 2.011 -0.034 -0.311) 2.035 4.561 ( -0.940 -2.312 1.222) 2.779 4.691 ( 1.073 -1.360 -2.486) 3.030 4.775 ( -4.617 -5.954 6.754) 10.119 4.951 ( -11.805 2.219 5.382) 13.162 5.389 ( 6.285 -3.287 -3.442) 7.883 5.502 ( -1.255 -0.789 1.003) 1.789 5.948 ( -5.154 1.866 -0.579) 5.512 6.525 ( 17.420 1.112 -7.284) 18.914 ======================= Grid point 347 (170/203) ======================= q-point: (-0.25 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -1.839 7.049 3.100) 7.917 1.404 ( -1.794 7.288 -3.908) 8.462 1.751 ( 6.358 8.854 4.711) 11.874 1.970 ( -9.146 12.611 -3.037) 15.872 2.302 ( 5.274 11.945 -1.336) 13.126 2.856 ( 9.564 0.766 -2.001) 9.801 3.371 ( -3.315 6.172 0.017) 7.006 3.690 ( -2.055 3.566 1.573) 4.406 3.796 ( 0.869 0.673 0.136) 1.108 3.859 ( -1.512 6.135 2.215) 6.696 4.193 ( -5.440 0.183 -1.535) 5.655 4.260 ( -0.084 -1.811 6.026) 6.293 4.521 ( 1.745 0.298 -1.499) 2.320 4.554 ( -0.959 -1.159 2.701) 3.092 4.657 ( -5.764 5.475 -1.370) 8.067 4.735 ( -2.860 -2.306 2.786) 4.611 4.843 ( -1.920 -2.922 6.362) 7.259 5.406 ( -1.859 -0.174 -3.576) 4.034 5.493 ( -0.419 -0.475 1.095) 1.265 5.933 ( 3.667 -2.973 -2.240) 5.225 6.764 ( 12.736 -7.083 -5.986) 15.755 ======================= Grid point 348 (171/203) ======================= q-point: (-0.12 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -5.777 6.211 1.380) 8.594 1.410 ( 0.721 9.564 4.702) 10.682 1.782 ( -8.398 13.294 -3.583) 16.127 1.924 ( 8.361 3.800 3.025) 9.669 2.358 ( 0.728 7.719 -1.413) 7.881 2.974 ( 4.976 -0.665 -2.651) 5.677 3.361 ( 0.795 7.879 4.501) 9.109 3.648 ( -3.405 8.353 1.682) 9.176 3.810 ( 1.278 1.851 -1.044) 2.480 3.846 ( -1.349 4.261 1.099) 4.602 4.098 ( -3.127 2.308 2.621) 4.688 4.324 ( 3.069 4.677 -0.422) 5.610 4.510 ( -7.296 9.534 0.756) 12.029 4.539 ( -0.034 3.264 0.901) 3.387 4.556 ( -0.207 -3.292 1.554) 3.646 4.729 ( 1.266 -0.815 -1.406) 2.060 4.885 ( 1.959 -4.518 3.235) 5.892 5.321 ( -3.973 3.066 -2.992) 5.843 5.505 ( 1.275 -2.577 -0.416) 2.905 5.998 ( 3.317 -6.856 -1.196) 7.710 6.900 ( 5.075 -15.372 -3.232) 16.507 ======================= Grid point 349 (172/203) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -2.346 6.553 1.659) 7.156 1.633 ( -2.275 10.325 3.932) 11.280 1.963 ( -1.469 15.624 -1.646) 15.779 2.049 ( 0.700 2.071 -1.650) 2.738 2.500 ( 0.366 8.663 -0.966) 8.724 2.969 ( -4.368 -1.079 1.843) 4.862 3.558 ( 4.116 4.734 -1.110) 6.371 3.817 ( -6.466 3.027 2.944) 7.723 3.856 ( 0.234 5.266 0.206) 5.276 3.885 ( 6.941 2.762 -3.176) 8.118 4.225 ( 1.300 5.449 6.422) 8.522 4.382 ( -1.044 -0.554 0.284) 1.216 4.462 ( -2.468 -0.858 -2.797) 3.828 4.590 ( -0.559 1.318 -1.493) 2.068 4.718 ( 7.695 4.342 1.909) 9.040 4.783 ( 3.501 0.786 0.274) 3.599 4.867 ( 2.157 -2.110 -2.018) 3.630 5.294 ( -1.670 1.011 -2.590) 3.243 5.442 ( 0.019 -2.780 -0.695) 2.865 5.886 ( -1.353 -3.916 0.238) 4.150 6.534 ( -4.880 -15.340 -0.661) 16.111 ======================= Grid point 350 (173/203) ======================= q-point: ( 0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -0.417 5.908 4.129) 7.220 1.567 ( -6.708 9.210 5.034) 12.456 1.983 ( -0.839 6.195 1.189) 6.363 2.061 ( 5.442 11.670 -1.979) 13.028 2.504 ( -0.136 8.946 -0.532) 8.963 2.850 ( -9.446 -2.027 4.740) 10.761 3.605 ( 2.284 4.175 -4.603) 6.620 3.733 ( -4.197 1.509 2.158) 4.955 3.856 ( -0.250 3.140 -0.050) 3.150 4.007 ( 7.708 4.733 -3.108) 9.564 4.230 ( -3.203 5.073 0.520) 6.022 4.388 ( 0.823 4.198 -0.363) 4.294 4.417 ( -1.033 -1.861 3.392) 4.004 4.577 ( -0.713 0.055 0.176) 0.737 4.772 ( 0.328 5.159 -2.224) 5.627 4.871 ( 2.753 -1.155 -6.486) 7.141 4.919 ( 9.873 -2.587 -10.978) 14.989 5.269 ( -0.916 -0.519 2.126) 2.372 5.440 ( 0.349 -3.758 -0.452) 3.801 5.851 ( -2.192 -1.728 2.470) 3.727 6.457 ( -6.057 -14.433 7.692) 17.440 ======================= Grid point 351 (174/203) ======================= q-point: ( 0.25 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 2.634 3.583 4.822) 6.560 1.485 ( -4.970 8.422 4.752) 10.872 1.939 ( -2.132 4.193 -1.050) 4.819 2.193 ( 6.448 12.646 0.427) 14.201 2.461 ( -4.417 9.137 1.593) 10.273 2.743 ( -4.210 -2.284 4.124) 6.320 3.586 ( -0.789 4.899 -4.859) 6.945 3.698 ( -0.821 0.433 1.769) 1.998 3.835 ( -1.931 0.868 -1.283) 2.476 4.088 ( 0.991 7.083 -2.629) 7.620 4.192 ( 1.385 1.363 0.296) 1.966 4.360 ( -0.215 0.642 -4.901) 4.948 4.456 ( -0.211 1.950 4.567) 4.971 4.559 ( -1.936 -2.262 1.120) 3.181 4.727 ( -2.731 1.145 -3.980) 4.961 4.877 ( 2.846 -1.369 -9.910) 10.401 5.002 ( 7.559 0.492 -10.631) 13.054 5.256 ( -3.334 -3.095 4.517) 6.411 5.457 ( 1.650 -6.473 -0.855) 6.735 5.888 ( 5.366 2.663 1.658) 6.216 6.392 ( -8.138 -8.746 13.193) 17.798 ======================= Grid point 352 (175/203) ======================= q-point: ( 0.38 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -0.814 7.017 3.372) 7.827 1.487 ( 3.282 3.067 1.272) 4.669 1.928 ( 2.309 5.002 -1.400) 5.684 2.177 ( -8.100 5.972 0.856) 10.100 2.484 ( 5.946 11.824 2.452) 13.461 2.725 ( -1.253 1.138 2.749) 3.228 3.547 ( -0.312 4.027 -2.516) 4.759 3.722 ( 2.120 -1.009 2.046) 3.115 3.766 ( -4.419 -0.683 -2.628) 5.187 4.025 ( -4.503 7.154 -2.967) 8.958 4.263 ( 3.804 0.287 1.339) 4.043 4.334 ( 0.762 0.005 -4.893) 4.952 4.448 ( -2.475 -0.784 1.756) 3.134 4.524 ( -2.046 -3.251 1.015) 3.973 4.645 ( -2.652 -4.210 -6.132) 7.897 4.854 ( -0.669 -0.382 -4.046) 4.118 5.088 ( 5.711 0.946 -4.047) 7.063 5.218 ( -2.284 -0.828 2.618) 3.571 5.472 ( 0.491 -5.882 -0.901) 5.971 6.021 ( 7.129 -0.146 -2.232) 7.472 6.333 ( -5.155 0.572 12.540) 13.571 ======================= Grid point 353 (176/203) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 4.342 8.023 -2.176) 9.378 1.529 ( 0.527 3.241 -0.434) 3.312 1.971 ( -3.482 2.523 0.368) 4.315 2.065 ( 2.499 7.432 0.512) 7.858 2.601 ( 4.097 6.451 -1.586) 7.805 2.714 ( -0.232 9.370 1.761) 9.537 3.560 ( 1.099 -4.137 1.650) 4.587 3.661 ( -3.857 2.555 -2.526) 5.271 3.785 ( 2.646 -2.293 2.032) 4.049 3.925 ( -3.372 7.705 -2.856) 8.883 4.278 ( -2.366 2.254 0.672) 3.336 4.368 ( 2.780 -1.760 -0.889) 3.408 4.403 ( -1.487 -3.309 0.032) 3.628 4.506 ( -1.139 -3.069 2.179) 3.932 4.577 ( -1.126 -7.476 -4.426) 8.761 4.811 ( -3.011 2.106 1.309) 3.900 5.096 ( -4.756 0.263 3.765) 6.072 5.247 ( 5.477 -0.628 -4.317) 7.002 5.470 ( -0.110 -3.366 -0.494) 3.404 6.044 ( -4.091 -2.503 3.051) 5.684 6.406 ( 8.241 5.265 -0.567) 9.796 ======================= Grid point 354 (177/203) ======================= q-point: (-0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -2.438 2.746 -0.011) 3.672 1.544 ( 6.872 9.379 -7.501) 13.837 1.879 ( -3.696 6.211 2.943) 7.804 2.197 ( 7.644 6.236 -0.899) 9.906 2.565 ( -3.312 9.717 -4.937) 11.392 2.776 ( 5.017 5.163 -1.536) 7.361 3.516 ( -4.242 -2.601 1.003) 5.076 3.697 ( 4.758 -0.590 3.021) 5.666 3.784 ( -1.328 0.785 -2.876) 3.263 3.939 ( 3.641 7.256 4.255) 9.165 4.229 ( -3.989 0.087 3.895) 5.576 4.306 ( -4.764 0.426 -2.743) 5.514 4.461 ( 3.214 -3.382 0.229) 4.671 4.506 ( -1.064 -3.522 5.758) 6.833 4.560 ( 1.346 -7.210 -1.325) 7.453 4.774 ( -1.834 3.366 2.497) 4.574 4.997 ( -8.384 2.458 4.449) 9.805 5.317 ( 5.022 -3.474 -5.492) 8.213 5.465 ( -0.257 -2.387 -0.106) 2.403 5.970 ( -4.938 0.499 2.431) 5.527 6.554 ( 9.587 0.732 -7.650) 12.287 ======================= Grid point 355 (178/203) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -3.186 4.140 -1.219) 5.365 1.594 ( 2.743 9.793 -4.774) 11.235 1.906 ( 4.260 6.289 1.730) 7.791 2.232 ( -3.900 11.359 -2.781) 12.327 2.512 ( 0.809 9.170 -3.111) 9.717 2.858 ( 7.064 -0.831 -5.900) 9.242 3.481 ( -1.562 3.453 4.776) 6.097 3.746 ( 1.340 -0.587 -2.617) 2.998 3.807 ( 3.427 2.232 1.242) 4.274 4.013 ( -1.292 7.311 4.778) 8.829 4.179 ( -4.349 -0.577 3.578) 5.661 4.246 ( 1.439 0.590 2.676) 3.095 4.491 ( 0.045 -2.963 3.003) 4.219 4.534 ( -0.091 -0.892 5.259) 5.335 4.606 ( 3.094 -6.316 0.048) 7.033 4.779 ( 1.382 3.279 0.336) 3.574 4.861 ( -8.771 3.715 3.979) 10.323 5.357 ( 2.388 -3.824 -4.500) 6.370 5.456 ( -0.571 -2.608 -0.478) 2.712 5.910 ( -1.952 0.499 -0.769) 2.157 6.639 ( 4.898 -5.354 -9.245) 11.753 ======================= Grid point 356 (179/203) ======================= q-point: (-0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -2.680 5.693 -0.766) 6.339 1.615 ( 1.446 10.928 0.345) 11.029 1.998 ( 3.771 3.997 0.669) 5.536 2.088 ( -7.075 14.479 -4.819) 16.820 2.509 ( -0.342 7.493 -1.061) 7.576 2.958 ( 5.980 -1.058 -4.395) 7.496 3.501 ( 0.648 5.313 4.491) 6.987 3.785 ( 4.768 3.103 -2.740) 6.314 3.852 ( 1.099 2.542 0.190) 2.776 3.933 ( -7.828 4.015 3.617) 9.512 4.169 ( 0.087 4.479 5.504) 7.097 4.346 ( 5.379 -3.259 0.625) 6.320 4.505 ( -0.088 0.302 -0.576) 0.657 4.578 ( 1.272 0.197 10.384) 10.464 4.623 ( -0.585 0.402 -3.847) 3.912 4.766 ( -3.189 1.470 4.581) 5.772 4.823 ( 3.196 1.086 -0.850) 3.481 5.343 ( -1.151 -1.400 -3.597) 4.028 5.446 ( 0.020 -2.470 -0.948) 2.646 5.893 ( 0.433 -2.469 -1.547) 2.946 6.621 ( -1.286 -11.356 -7.043) 13.424 ======================= Grid point 357 (180/203) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -0.929 6.938 -0.454) 7.014 1.868 ( -2.784 11.410 2.731) 12.058 2.080 ( -0.257 2.557 -0.067) 2.571 2.303 ( -0.020 15.221 -2.371) 15.404 2.683 ( 0.740 9.449 -0.339) 9.484 2.934 ( -4.503 -2.448 1.269) 5.280 3.638 ( 3.178 2.929 -0.921) 4.419 3.835 ( -5.752 0.032 2.370) 6.221 3.900 ( 3.803 0.755 -1.623) 4.203 3.964 ( 3.869 2.356 -1.747) 4.855 4.271 ( 0.253 -3.635 0.166) 3.647 4.337 ( 4.217 0.133 8.246) 9.262 4.504 ( -1.822 2.106 -4.820) 5.567 4.606 ( -0.371 -3.326 -2.601) 4.239 4.629 ( 3.805 -4.006 1.023) 5.619 4.763 ( 1.600 -3.283 1.595) 3.985 4.870 ( 1.071 0.068 -3.606) 3.763 5.287 ( -0.433 -0.970 0.037) 1.063 5.452 ( 0.736 3.030 -0.605) 3.176 5.878 ( -0.843 2.827 0.889) 3.081 6.296 ( -5.920 -8.187 -1.550) 10.221 ======================= Grid point 358 (181/203) ======================= q-point: ( 0.12 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -0.601 7.221 1.181) 7.342 1.783 ( -8.242 10.641 5.125) 14.402 2.051 ( -2.316 3.104 -0.220) 3.879 2.351 ( 4.955 13.339 -1.007) 14.265 2.697 ( 1.130 9.910 -1.142) 10.040 2.799 ( -11.041 -2.723 4.978) 12.414 3.665 ( 0.951 1.860 -3.377) 3.971 3.748 ( -4.479 -0.006 1.261) 4.653 3.904 ( -1.666 1.718 -0.031) 2.393 4.060 ( 6.606 1.155 -3.157) 7.412 4.264 ( -0.980 -1.743 -0.383) 2.036 4.428 ( -0.896 2.734 -6.571) 7.174 4.461 ( 2.557 0.429 4.067) 4.823 4.561 ( -3.273 -0.967 0.120) 3.415 4.688 ( 2.953 -13.079 -8.103) 15.666 4.791 ( 1.828 -2.788 0.164) 3.338 4.896 ( 4.679 0.260 -3.160) 5.652 5.268 ( -1.568 -0.046 -0.124) 1.574 5.451 ( -0.191 4.099 -1.795) 4.479 5.881 ( 0.770 3.797 1.697) 4.229 6.232 ( -3.606 -7.706 9.392) 12.672 ======================= Grid point 359 (182/203) ======================= q-point: ( 0.25 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 0.838 5.644 2.228) 6.126 1.661 ( -7.952 8.142 5.237) 12.528 2.012 ( -1.262 3.187 -0.875) 3.538 2.393 ( -2.751 6.070 -0.078) 6.665 2.649 ( -4.029 5.106 2.891) 7.118 2.730 ( 1.415 5.297 1.233) 5.619 3.637 ( -1.477 0.567 -4.291) 4.573 3.689 ( -2.342 -1.353 -0.208) 2.713 3.855 ( -3.500 1.383 -0.020) 3.763 4.146 ( 4.304 0.037 -2.173) 4.822 4.233 ( -1.819 1.179 -0.587) 2.246 4.362 ( -1.842 -3.137 -7.276) 8.135 4.477 ( -2.243 -0.285 0.973) 2.461 4.498 ( -3.136 -3.528 -1.699) 5.017 4.630 ( -2.472 -8.018 -7.675) 11.371 4.843 ( 2.824 0.809 1.198) 3.172 5.012 ( 9.224 -0.560 -3.596) 9.916 5.239 ( -0.898 0.758 -1.418) 1.841 5.428 ( -1.223 3.575 -0.928) 3.890 5.933 ( 3.830 1.601 0.379) 4.169 6.257 ( -2.132 -4.843 15.519) 16.396 ======================= Grid point 360 (183/203) ======================= q-point: ( 0.38 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 1.662 3.092 2.473) 4.294 1.581 ( -2.195 4.608 0.887) 5.180 2.004 ( 0.990 2.726 -0.959) 3.054 2.263 ( -8.977 2.106 1.410) 9.328 2.662 ( 1.974 3.433 0.209) 3.966 2.785 ( 3.304 6.822 2.452) 7.967 3.553 ( -4.308 -3.023 -5.796) 7.829 3.676 ( 1.040 -1.074 -0.042) 1.495 3.787 ( -3.895 1.250 0.482) 4.119 4.152 ( -1.932 3.614 -3.797) 5.587 4.228 ( 1.889 -3.113 -1.205) 3.836 4.292 ( -2.225 -4.850 -1.199) 5.469 4.399 ( -4.443 -9.911 -3.005) 11.269 4.446 ( -1.156 0.587 -2.763) 3.052 4.571 ( -1.091 0.876 -1.602) 2.127 4.886 ( 0.857 2.684 1.437) 3.163 5.141 ( 6.289 1.286 -2.771) 6.992 5.218 ( -0.569 2.588 -1.919) 3.272 5.405 ( -1.101 -0.127 0.981) 1.480 5.994 ( 2.023 -1.830 0.232) 2.738 6.334 ( 1.886 -1.392 11.362) 11.602 ======================= Grid point 361 (184/203) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 1.055 1.979 0.714) 2.353 1.602 ( 5.049 2.789 -5.040) 7.660 2.013 ( -1.338 1.814 0.281) 2.272 2.175 ( 0.901 2.930 0.830) 3.176 2.689 ( 1.324 1.832 -1.268) 2.591 2.852 ( 1.921 4.471 1.181) 5.008 3.445 ( -3.752 -4.662 -2.284) 6.405 3.702 ( -0.171 1.404 -0.740) 1.596 3.744 ( 0.870 -1.781 0.824) 2.146 4.092 ( -1.777 6.049 -2.356) 6.731 4.230 ( -2.626 -5.154 -0.046) 5.784 4.271 ( 1.512 -9.198 0.044) 9.321 4.362 ( 1.286 -4.048 0.446) 4.271 4.400 ( -1.997 -0.188 -3.477) 4.014 4.554 ( -0.720 3.184 0.238) 3.273 4.889 ( -1.515 4.383 2.213) 5.138 5.171 ( -4.382 7.238 1.756) 8.642 5.210 ( 3.099 -2.619 -3.015) 5.055 5.406 ( 0.511 -2.921 0.534) 3.013 6.005 ( -1.126 -1.317 1.743) 2.458 6.444 ( 5.503 -1.532 1.378) 5.876 ======================= Grid point 362 (185/203) ======================= q-point: (-0.38 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -0.579 1.972 -1.075) 2.319 1.692 ( 8.742 5.050 -8.468) 13.177 1.979 ( -1.262 3.692 1.272) 4.104 2.286 ( 8.844 1.959 -0.604) 9.078 2.699 ( 1.351 2.882 -2.894) 4.302 2.846 ( -1.637 2.343 -3.061) 4.188 3.424 ( 0.409 -4.017 5.460) 6.791 3.679 ( -0.454 -0.380 -0.301) 0.664 3.806 ( 4.168 0.674 -0.768) 4.292 4.067 ( -1.306 1.360 2.472) 3.109 4.194 ( -0.565 -1.376 0.837) 1.706 4.309 ( -0.484 -5.279 -0.716) 5.349 4.349 ( 0.315 -4.071 0.540) 4.119 4.412 ( 3.362 -0.631 0.953) 3.551 4.542 ( -0.988 2.422 1.183) 2.870 4.869 ( -1.905 5.127 2.440) 5.989 5.069 ( -8.316 4.754 3.998) 10.380 5.245 ( 2.892 -3.465 -3.720) 5.849 5.418 ( 0.557 -1.890 -0.223) 1.982 5.981 ( -2.351 0.923 1.183) 2.789 6.526 ( 4.569 -3.788 -6.036) 8.465 ======================= Grid point 363 (186/203) ======================= q-point: (-0.25 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -0.826 3.821 -2.261) 4.517 1.789 ( 6.021 8.857 -5.407) 11.997 2.002 ( 3.125 3.241 -0.398) 4.520 2.406 ( 2.961 5.305 -1.328) 6.219 2.701 ( -0.404 8.727 -1.790) 8.918 2.822 ( 5.168 -2.097 -7.309) 9.194 3.496 ( 2.021 -1.837 8.468) 8.897 3.699 ( 3.132 -1.770 -0.602) 3.648 3.867 ( 3.092 2.734 -1.062) 4.262 4.049 ( -4.314 -2.954 6.035) 7.985 4.216 ( 1.798 0.552 0.529) 1.953 4.253 ( -3.000 -0.060 1.922) 3.563 4.417 ( 3.326 -4.065 4.898) 7.182 4.497 ( 5.888 -1.508 -0.330) 6.087 4.537 ( -0.325 0.593 1.428) 1.580 4.848 ( -2.249 3.459 0.374) 4.143 4.939 ( -7.217 3.194 3.134) 8.491 5.270 ( 2.137 -3.900 -3.265) 5.517 5.425 ( 0.520 -0.086 -0.193) 0.562 5.939 ( -2.465 2.338 -0.150) 3.400 6.526 ( 0.260 -6.112 -9.363) 11.185 ======================= Grid point 364 (187/203) ======================= q-point: (-0.12 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -0.739 5.616 -1.926) 5.983 1.852 ( 3.017 11.587 -0.714) 11.994 2.058 ( 2.840 2.186 -1.001) 3.722 2.370 ( -3.909 11.729 -2.780) 12.672 2.680 ( -0.655 9.608 0.352) 9.637 2.922 ( 6.868 -2.694 -5.678) 9.310 3.575 ( 2.405 1.745 4.687) 5.550 3.785 ( 6.868 -1.853 -1.963) 7.379 3.903 ( 0.601 2.231 0.007) 2.310 3.974 ( -6.125 -0.339 4.700) 7.728 4.246 ( 0.579 1.317 5.721) 5.899 4.257 ( 1.067 -3.996 1.581) 4.427 4.514 ( 4.005 -2.515 2.920) 5.558 4.541 ( -0.169 -0.152 2.464) 2.475 4.608 ( 5.882 -1.762 -3.073) 6.866 4.764 ( -4.975 0.701 0.965) 5.116 4.885 ( -1.004 1.748 -0.523) 2.082 5.285 ( 1.031 -2.780 -1.483) 3.315 5.438 ( 0.915 1.518 -0.021) 1.773 5.898 ( -1.638 2.573 -0.417) 3.078 6.431 ( -4.568 -7.618 -8.327) 12.176 ======================= Grid point 365 (188/203) ======================= q-point: ( 0.00 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 0.326 5.920 -1.119) 6.033 2.025 ( -3.146 2.591 2.538) 4.801 2.182 ( 0.177 7.902 0.199) 7.907 2.541 ( 1.297 6.819 -1.434) 7.088 2.833 ( -6.434 -1.817 4.043) 7.813 2.956 ( 2.382 11.807 -1.652) 12.157 3.670 ( 3.317 -0.085 -0.813) 3.417 3.830 ( -3.594 -0.116 1.377) 3.851 3.893 ( 4.945 -2.025 1.601) 5.579 3.990 ( 3.684 0.549 -3.372) 5.024 4.184 ( -0.022 -9.273 1.511) 9.395 4.202 ( 1.738 -5.501 -0.944) 5.846 4.518 ( 0.001 1.423 -4.037) 4.281 4.572 ( 0.162 2.380 0.580) 2.455 4.650 ( 5.091 -0.034 0.587) 5.125 4.700 ( -4.644 -1.196 -1.589) 5.052 4.826 ( 0.691 -3.869 -3.068) 4.986 5.274 ( -0.518 -0.274 2.975) 3.032 5.516 ( 2.019 2.452 -1.239) 3.409 5.964 ( -0.683 4.526 1.138) 4.717 6.178 ( -5.157 -3.778 -0.393) 6.405 ======================= Grid point 366 (189/203) ======================= q-point: ( 0.12 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -0.242 6.291 -1.040) 6.381 1.940 ( -8.662 3.442 5.357) 10.750 2.150 ( -3.118 6.990 -0.371) 7.663 2.555 ( -0.224 5.979 -2.450) 6.465 2.699 ( -9.252 -4.867 5.975) 12.040 2.969 ( 0.506 14.214 -2.156) 14.386 3.674 ( -1.100 -1.568 -3.730) 4.193 3.755 ( -4.044 1.866 0.375) 4.469 3.931 ( -1.393 0.878 1.270) 2.080 4.069 ( 5.916 -0.405 -5.127) 7.839 4.201 ( 1.262 -11.497 -3.090) 11.972 4.234 ( 2.034 -7.798 -2.687) 8.495 4.485 ( -2.262 1.220 -1.664) 3.061 4.553 ( -5.867 -1.315 -2.312) 6.442 4.588 ( 0.792 1.767 -0.303) 1.960 4.761 ( 5.248 0.254 1.436) 5.447 4.865 ( 4.769 -3.049 -1.908) 5.973 5.264 ( -1.861 -0.082 1.808) 2.596 5.541 ( 2.475 3.473 -4.320) 6.070 5.971 ( 0.144 4.297 1.095) 4.436 6.123 ( -3.156 -3.410 8.982) 10.113 ======================= Grid point 367 (190/203) ======================= q-point: ( 0.25 0.42 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -0.671 5.450 -0.968) 5.575 1.788 ( -10.854 3.516 5.121) 12.506 2.090 ( -2.659 4.817 -0.759) 5.554 2.428 ( -10.683 -2.313 0.950) 10.972 2.663 ( 1.060 0.499 0.507) 1.277 2.956 ( -0.153 11.368 -2.897) 11.732 3.597 ( -4.007 -3.342 -5.491) 7.575 3.700 ( -1.977 2.431 -0.276) 3.146 3.891 ( -3.705 2.029 1.460) 4.469 4.106 ( 0.742 -6.482 -8.299) 10.557 4.177 ( -0.291 -8.692 0.349) 8.704 4.236 ( 0.216 -1.086 -2.941) 3.143 4.373 ( -6.591 -3.470 -1.761) 7.654 4.486 ( -2.266 -0.884 -1.634) 2.930 4.611 ( 1.687 2.829 -0.602) 3.349 4.872 ( 4.431 1.525 2.223) 5.187 4.973 ( 8.311 -2.854 -1.257) 8.877 5.244 ( -0.605 -0.102 0.231) 0.656 5.550 ( 1.674 6.016 -6.429) 8.962 5.967 ( -1.919 2.160 3.340) 4.416 6.171 ( 1.094 -3.939 11.729) 12.421 ======================= Grid point 368 (191/203) ======================= q-point: ( 0.38 0.42 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -0.509 2.866 -0.791) 3.017 1.646 ( -5.460 1.730 0.638) 5.763 2.054 ( -0.801 2.427 -0.617) 2.629 2.258 ( -7.723 -2.264 0.536) 8.065 2.686 ( 1.335 0.505 -1.033) 1.761 2.933 ( -0.448 5.527 -2.975) 6.292 3.482 ( -4.820 -2.716 -4.713) 7.268 3.685 ( 0.673 1.475 -0.348) 1.658 3.813 ( -5.277 1.622 0.604) 5.554 4.044 ( -1.067 -10.100 -5.196) 11.409 4.193 ( -1.611 -3.617 0.053) 3.960 4.219 ( 0.997 -0.232 -1.155) 1.543 4.279 ( -2.024 -1.127 -0.166) 2.322 4.430 ( -2.431 -1.879 -2.773) 4.139 4.635 ( 1.030 3.769 -0.311) 3.919 4.935 ( 1.600 1.826 2.066) 3.188 5.101 ( 4.942 -3.081 -1.157) 5.938 5.265 ( 3.161 0.283 0.736) 3.257 5.509 ( -3.418 8.421 -3.789) 9.846 5.960 ( -0.216 -1.199 2.719) 2.979 6.272 ( 3.154 -4.081 7.869) 9.409 ======================= Grid point 369 (192/203) ======================= q-point: (-0.50 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 0.418 0.600 -0.932) 1.184 1.631 ( 5.518 0.330 -5.682) 7.927 2.046 ( -0.320 1.291 -0.013) 1.330 2.184 ( 0.170 -1.376 0.017) 1.387 2.699 ( 1.021 -0.077 -1.620) 1.916 2.906 ( -0.836 1.089 -1.870) 2.320 3.394 ( -2.606 -0.892 -0.835) 2.878 3.712 ( -0.188 -1.244 0.234) 1.280 3.741 ( 0.313 2.831 -0.609) 2.913 4.008 ( -1.248 -10.299 -1.262) 10.451 4.169 ( 0.226 -0.193 -0.350) 0.459 4.209 ( -0.362 2.021 -1.692) 2.660 4.310 ( 2.973 -3.045 1.518) 4.518 4.368 ( -2.140 -1.910 -2.950) 4.114 4.640 ( -0.528 4.130 0.297) 4.174 4.960 ( 0.035 2.367 1.385) 2.743 5.141 ( 1.585 -3.349 -2.470) 4.453 5.344 ( 3.238 0.870 3.187) 4.626 5.379 ( -9.928 7.012 2.288) 12.368 5.992 ( 2.806 0.129 -1.361) 3.121 6.361 ( 3.209 -5.612 1.937) 6.748 ======================= Grid point 370 (193/203) ======================= q-point: (-0.38 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 1.373 1.002 -1.325) 2.155 1.759 ( 12.234 1.651 -8.922) 15.231 2.045 ( 0.587 3.003 0.256) 3.070 2.268 ( 8.460 -3.249 -0.271) 9.067 2.708 ( 1.700 -0.521 -3.113) 3.585 2.887 ( -0.758 1.342 0.688) 1.687 3.384 ( 0.366 -0.371 4.177) 4.209 3.684 ( -0.568 0.721 -0.179) 0.935 3.818 ( 5.580 0.646 0.334) 5.627 3.980 ( -1.554 -6.414 0.506) 6.619 4.184 ( 0.859 -1.373 -0.018) 1.620 4.218 ( 2.070 0.039 -0.507) 2.131 4.298 ( -1.859 -3.444 -1.857) 4.332 4.404 ( 5.204 -0.438 -0.069) 5.222 4.619 ( -2.097 4.059 1.113) 4.702 4.954 ( -1.221 2.969 0.287) 3.223 5.117 ( -5.452 -2.262 -1.414) 6.070 5.227 ( -5.706 2.523 4.008) 7.415 5.407 ( 1.522 1.183 3.687) 4.160 6.026 ( 1.811 3.853 -2.494) 4.934 6.402 ( 1.783 -7.725 -3.867) 8.821 ======================= Grid point 371 (194/203) ======================= q-point: (-0.25 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 1.363 3.142 -1.469) 3.727 1.923 ( 9.983 3.110 -6.507) 12.316 2.078 ( 2.821 5.452 0.339) 6.148 2.441 ( 8.798 -1.970 -0.269) 9.020 2.742 ( 6.192 -1.897 -6.843) 9.421 2.889 ( -0.180 5.778 2.825) 6.434 3.447 ( 2.401 -1.838 8.083) 8.630 3.698 ( 2.221 1.355 -0.148) 2.606 3.912 ( 2.797 -1.013 2.708) 4.023 3.959 ( -1.008 -1.813 0.574) 2.152 4.196 ( 0.075 -1.167 0.789) 1.410 4.212 ( -1.461 -3.514 -2.161) 4.377 4.332 ( 5.319 -3.488 1.947) 6.652 4.504 ( 6.314 0.327 -2.773) 6.903 4.585 ( -2.280 3.622 1.734) 4.618 4.905 ( -5.393 1.709 -1.037) 5.751 4.965 ( -7.132 -0.708 1.053) 7.244 5.219 ( 0.883 -1.085 1.282) 1.897 5.448 ( 1.039 1.808 3.065) 3.707 6.022 ( -0.783 6.138 -1.749) 6.430 6.377 ( -1.060 -8.422 -7.043) 11.030 ======================= Grid point 372 (195/203) ======================= q-point: (-0.12 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 0.864 4.884 -1.299) 5.127 2.022 ( 3.344 2.495 -1.755) 4.526 2.142 ( 3.491 7.917 0.400) 8.662 2.528 ( 1.493 3.438 0.004) 3.749 2.843 ( 6.320 -3.281 -5.330) 8.895 2.911 ( 1.362 10.672 1.699) 10.892 3.563 ( 5.570 -2.636 5.982) 8.588 3.760 ( 4.846 0.311 -0.111) 4.857 3.913 ( -4.766 -3.852 6.334) 8.813 3.965 ( 1.527 2.641 -1.992) 3.643 4.187 ( -0.095 -5.638 -0.633) 5.674 4.193 ( -0.794 -2.360 0.737) 2.597 4.464 ( 6.741 -1.602 2.161) 7.258 4.566 ( -0.079 2.006 0.877) 2.190 4.580 ( 3.699 -0.361 -4.895) 6.147 4.782 ( -5.006 0.229 -0.999) 5.110 4.880 ( -3.798 -1.444 -1.693) 4.401 5.250 ( 1.118 -0.784 2.426) 2.784 5.484 ( 1.460 2.164 1.392) 2.958 5.988 ( -1.874 5.937 -0.447) 6.241 6.288 ( -4.132 -6.679 -6.085) 9.935 ======================= Grid point 373 (196/203) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 0.871 0.000 -1.410) 1.657 2.038 ( -2.838 0.000 2.749) 3.951 2.292 ( -0.199 0.000 -0.100) 0.222 2.599 ( 1.968 0.000 0.677) 2.081 2.788 ( -6.375 0.000 0.798) 6.425 3.151 ( 2.511 0.000 3.502) 4.310 3.643 ( 4.882 0.000 -1.979) 5.268 3.836 ( 0.727 0.000 2.839) 2.930 3.843 ( 3.744 -0.000 -0.823) 3.833 3.982 ( -2.029 0.000 -3.964) 4.453 4.063 ( -0.224 0.000 -0.478) 0.528 4.167 ( 1.713 0.000 -2.056) 2.676 4.544 ( -0.764 -0.000 -3.857) 3.932 4.606 ( 0.619 0.000 1.380) 1.512 4.631 ( 6.709 0.000 2.111) 7.033 4.718 ( -6.956 -0.000 -3.556) 7.813 4.756 ( 1.802 0.000 -2.788) 3.320 5.272 ( -0.679 0.000 4.093) 4.149 5.542 ( 2.408 0.000 -1.651) 2.920 6.022 ( -1.987 0.000 -0.872) 2.170 6.134 ( -3.393 -0.000 2.291) 4.094 ======================= Grid point 375 (197/203) ======================= q-point: ( 0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 0.135 -0.000 -2.082) 2.087 1.961 ( -8.138 0.000 5.196) 9.655 2.254 ( -3.848 -0.000 0.225) 3.854 2.595 ( -10.970 0.000 -0.406) 10.978 2.645 ( -0.723 0.000 3.214) 3.294 3.167 ( -1.030 0.000 -2.710) 2.899 3.634 ( -2.073 -0.000 -4.136) 4.626 3.818 ( -3.439 0.000 -0.082) 3.440 3.941 ( 5.542 0.000 -4.540) 7.165 3.943 ( -1.166 -0.000 1.133) 1.626 4.078 ( 2.180 0.000 -1.323) 2.550 4.204 ( 3.496 0.000 -3.325) 4.825 4.510 ( -9.801 0.000 -3.396) 10.373 4.515 ( -1.281 0.000 -0.971) 1.607 4.623 ( 1.165 0.000 0.171) 1.177 4.796 ( 6.064 0.000 2.758) 6.662 4.796 ( 5.510 -0.000 -3.332) 6.439 5.264 ( -2.132 0.000 2.614) 3.373 5.577 ( 3.703 0.000 -4.965) 6.194 6.028 ( 1.852 -0.000 2.998) 3.524 6.081 ( -5.462 0.000 6.577) 8.549 ======================= Grid point 377 (198/203) ======================= q-point: ( 0.25 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -1.110 0.000 -2.696) 2.916 1.814 ( -11.033 0.000 5.203) 12.199 2.169 ( -5.103 0.000 0.120) 5.104 2.372 ( -11.389 0.000 0.534) 11.402 2.674 ( 1.747 0.000 -0.854) 1.945 3.094 ( -3.463 0.000 -6.559) 7.417 3.553 ( -3.851 0.000 -4.360) 5.817 3.751 ( -2.814 0.000 -1.171) 3.049 3.922 ( -3.115 0.000 2.771) 4.169 3.956 ( -0.384 0.000 -5.498) 5.511 4.108 ( 1.577 0.000 1.021) 1.879 4.228 ( 0.834 0.000 -3.767) 3.858 4.343 ( -5.564 0.000 -2.686) 6.178 4.470 ( -3.142 0.000 -0.620) 3.202 4.651 ( 1.911 0.000 -0.330) 1.939 4.896 ( 3.342 0.000 2.798) 4.358 4.927 ( 9.663 0.000 -2.054) 9.879 5.242 ( -0.929 0.000 1.092) 1.433 5.616 ( 4.595 0.000 -8.108) 9.320 6.009 ( -7.536 0.000 9.376) 12.030 6.111 ( 4.004 0.000 5.496) 6.799 ======================= Grid point 379 (199/203) ======================= q-point: ( 0.38 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -1.921 0.000 -2.941) 3.513 1.660 ( -6.586 0.000 0.883) 6.645 2.091 ( -3.164 0.000 -0.155) 3.168 2.216 ( -5.535 0.000 -0.831) 5.597 2.693 ( 1.156 0.000 -1.662) 2.025 2.989 ( -3.465 0.000 -5.991) 6.921 3.455 ( -4.157 0.000 -2.969) 5.109 3.712 ( -0.919 0.000 -0.848) 1.251 3.861 ( -4.079 0.000 1.167) 4.242 3.890 ( -2.781 -0.000 -3.712) 4.639 4.161 ( 3.011 0.000 2.439) 3.875 4.203 ( -0.615 0.000 -1.259) 1.401 4.279 ( -0.930 0.000 -3.270) 3.400 4.403 ( -3.339 0.000 -1.468) 3.648 4.681 ( 1.296 0.000 -0.318) 1.335 4.955 ( 1.705 0.000 2.054) 2.669 5.062 ( 5.047 0.000 -1.399) 5.237 5.264 ( 2.685 0.000 1.781) 3.222 5.618 ( -1.658 0.000 -4.865) 5.140 5.949 ( -2.290 0.000 4.940) 5.445 6.215 ( 3.454 0.000 5.271) 6.302 ======================= Grid point 381 (200/203) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -0.044 -0.000 -2.250) 2.250 1.631 ( 5.491 0.000 -5.589) 7.835 2.060 ( -0.019 0.000 -0.180) 0.181 2.161 ( -0.023 0.000 -0.770) 0.771 2.698 ( 0.828 0.000 -2.076) 2.235 2.914 ( -1.816 0.000 -2.484) 3.077 3.386 ( -2.035 0.000 -0.068) 2.036 3.698 ( -0.574 0.000 0.002) 0.574 3.829 ( 1.298 -0.000 -0.773) 1.511 3.837 ( -1.430 0.000 -0.812) 1.644 4.204 ( 0.705 -0.000 0.629) 0.945 4.228 ( 2.236 0.000 0.467) 2.284 4.244 ( -0.876 0.000 -3.274) 3.389 4.348 ( -0.795 0.000 -1.094) 1.352 4.688 ( -0.477 0.000 0.225) 0.527 4.985 ( 0.827 -0.000 0.569) 1.004 5.099 ( 1.097 0.000 -2.125) 2.391 5.331 ( 1.949 0.000 1.389) 2.393 5.489 ( -11.497 0.000 7.422) 13.685 6.002 ( 7.173 0.000 -5.181) 8.849 6.282 ( 0.987 -0.000 2.846) 3.013 ======================= Grid point 383 (201/203) ======================= q-point: (-0.38 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 2.498 0.000 -1.053) 2.711 1.773 ( 13.285 0.000 -8.868) 15.973 2.089 ( 3.226 0.000 -0.006) 3.226 2.212 ( 6.429 -0.000 -0.526) 6.451 2.703 ( 1.448 0.000 -3.011) 3.341 2.900 ( 0.384 0.000 2.051) 2.087 3.383 ( 0.338 0.000 3.585) 3.601 3.697 ( 0.586 0.000 0.409) 0.715 3.829 ( -0.024 -0.000 1.901) 1.901 3.897 ( 6.367 0.000 -1.998) 6.673 4.209 ( -2.599 -0.000 -2.135) 3.363 4.212 ( -0.693 0.000 -2.281) 2.384 4.231 ( 1.545 0.000 1.360) 2.058 4.399 ( 5.687 0.000 -0.682) 5.728 4.668 ( -1.960 -0.000 0.844) 2.134 4.989 ( -0.410 -0.000 -1.044) 1.122 5.075 ( -3.935 0.000 -2.236) 4.526 5.254 ( -8.267 0.000 3.517) 8.984 5.433 ( -0.976 0.000 8.566) 8.621 6.105 ( 7.497 0.000 -7.277) 10.448 6.279 ( -2.112 -0.000 -0.433) 2.156 ======================= Grid point 385 (202/203) ======================= q-point: (-0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 2.513 0.000 -0.573) 2.577 1.942 ( 9.142 0.000 -5.775) 10.813 2.171 ( 5.411 0.000 -0.035) 5.411 2.384 ( 11.536 -0.000 -0.385) 11.542 2.725 ( 4.479 0.000 -6.367) 7.785 2.951 ( 2.579 -0.000 6.075) 6.600 3.430 ( 1.370 0.000 6.664) 6.803 3.728 ( 2.431 0.000 0.653) 2.517 3.844 ( -0.624 -0.000 3.983) 4.032 3.997 ( 5.186 0.000 -3.605) 6.315 4.144 ( -2.914 0.000 -1.754) 3.401 4.193 ( -0.641 0.000 -0.678) 0.933 4.293 ( 5.164 0.000 1.802) 5.469 4.505 ( 6.707 0.000 -3.470) 7.552 4.635 ( -2.191 -0.000 1.194) 2.495 4.913 ( -10.624 0.000 0.153) 10.625 4.953 ( -2.602 0.000 -2.300) 3.473 5.211 ( -0.209 0.000 3.341) 3.348 5.471 ( 0.459 0.000 4.959) 4.980 6.170 ( 3.610 0.000 -5.418) 6.510 6.206 ( -4.458 -0.000 -2.996) 5.372 ======================= Grid point 387 (203/203) ======================= q-point: (-0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 1.542 0.000 -0.835) 1.753 2.031 ( 3.017 0.000 -1.019) 3.184 2.259 ( 3.834 0.000 -0.298) 3.845 2.543 ( 4.231 0.000 2.499) 4.914 2.797 ( 6.787 -0.000 -8.088) 10.558 3.054 ( 3.947 -0.000 7.205) 8.215 3.518 ( 4.969 0.000 5.103) 7.123 3.785 ( 2.887 0.000 1.562) 3.282 3.840 ( -2.171 -0.000 3.430) 4.059 4.024 ( 0.802 -0.000 -4.713) 4.781 4.089 ( -2.102 0.000 -0.981) 2.320 4.173 ( -1.088 0.000 -0.561) 1.224 4.445 ( 9.520 0.000 2.413) 9.821 4.570 ( 2.579 0.000 -5.932) 6.468 4.611 ( -1.110 -0.000 1.239) 1.663 4.770 ( -3.809 0.000 -0.331) 3.824 4.863 ( -5.604 0.000 -3.200) 6.454 5.243 ( 0.901 0.000 3.967) 4.068 5.507 ( 1.394 0.000 1.748) 2.235 6.100 ( -4.639 0.000 -3.356) 5.726 6.173 ( -0.684 -0.000 -1.993) 2.107 =================== 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 3/14112 10.0 715.313 546.390 490.131 0.000 -119.698 0.000 3/14112 20.0 258.277 256.444 152.477 0.000 -42.996 0.000 3/14112 30.0 115.892 128.711 66.245 0.000 -20.068 0.000 3/14112 40.0 59.728 69.626 33.197 0.000 -10.451 0.000 3/14112 50.0 36.340 43.564 19.733 0.000 -6.295 0.000 3/14112 60.0 25.186 30.734 13.463 0.000 -4.306 0.000 3/14112 70.0 19.086 23.558 10.108 0.000 -3.231 0.000 3/14112 80.0 15.361 19.099 8.095 0.000 -2.583 0.000 3/14112 90.0 12.883 16.094 6.774 0.000 -2.157 0.000 3/14112 100.0 11.126 13.941 5.846 0.000 -1.858 0.000 3/14112 110.0 9.815 12.324 5.157 0.000 -1.637 0.000 3/14112 120.0 8.798 11.062 4.626 0.000 -1.466 0.000 3/14112 130.0 7.985 10.050 4.202 0.000 -1.330 0.000 3/14112 140.0 7.320 9.217 3.855 0.000 -1.219 0.000 3/14112 150.0 6.763 8.520 3.565 0.000 -1.126 0.000 3/14112 160.0 6.290 7.926 3.319 0.000 -1.048 0.000 3/14112 170.0 5.883 7.414 3.106 0.000 -0.980 0.000 3/14112 180.0 5.528 6.967 2.921 0.000 -0.921 0.000 3/14112 190.0 5.215 6.573 2.758 0.000 -0.869 0.000 3/14112 200.0 4.938 6.224 2.613 0.000 -0.823 0.000 3/14112 210.0 4.689 5.911 2.484 0.000 -0.781 0.000 3/14112 220.0 4.466 5.629 2.367 0.000 -0.744 0.000 3/14112 230.0 4.264 5.374 2.261 0.000 -0.711 0.000 3/14112 240.0 4.080 5.142 2.164 0.000 -0.680 0.000 3/14112 250.0 3.911 4.930 2.076 0.000 -0.652 0.000 3/14112 260.0 3.757 4.735 1.995 0.000 -0.626 0.000 3/14112 270.0 3.614 4.555 1.920 0.000 -0.603 0.000 3/14112 280.0 3.483 4.389 1.851 0.000 -0.581 0.000 3/14112 290.0 3.360 4.234 1.786 0.000 -0.560 0.000 3/14112 300.0 3.247 4.091 1.727 0.000 -0.541 0.000 3/14112 310.0 3.141 3.957 1.671 0.000 -0.524 0.000 3/14112 320.0 3.041 3.832 1.618 0.000 -0.507 0.000 3/14112 330.0 2.948 3.714 1.569 0.000 -0.492 0.000 3/14112 340.0 2.861 3.604 1.523 0.000 -0.477 0.000 3/14112 350.0 2.779 3.500 1.480 0.000 -0.463 0.000 3/14112 360.0 2.701 3.402 1.439 0.000 -0.450 0.000 3/14112 370.0 2.628 3.310 1.400 0.000 -0.438 0.000 3/14112 380.0 2.558 3.222 1.363 0.000 -0.427 0.000 3/14112 390.0 2.493 3.139 1.329 0.000 -0.416 0.000 3/14112 400.0 2.430 3.061 1.296 0.000 -0.405 0.000 3/14112 410.0 2.371 2.986 1.264 0.000 -0.395 0.000 3/14112 420.0 2.315 2.915 1.234 0.000 -0.386 0.000 3/14112 430.0 2.261 2.847 1.206 0.000 -0.377 0.000 3/14112 440.0 2.209 2.782 1.179 0.000 -0.368 0.000 3/14112 450.0 2.160 2.720 1.153 0.000 -0.360 0.000 3/14112 460.0 2.114 2.661 1.128 0.000 -0.352 0.000 3/14112 470.0 2.069 2.605 1.104 0.000 -0.345 0.000 3/14112 480.0 2.026 2.551 1.081 0.000 -0.338 0.000 3/14112 490.0 1.985 2.499 1.059 0.000 -0.331 0.000 3/14112 500.0 1.945 2.449 1.038 0.000 -0.324 0.000 3/14112 510.0 1.907 2.401 1.018 0.000 -0.318 0.000 3/14112 520.0 1.871 2.355 0.999 0.000 -0.312 0.000 3/14112 530.0 1.835 2.311 0.980 0.000 -0.306 0.000 3/14112 540.0 1.802 2.268 0.962 0.000 -0.300 0.000 3/14112 550.0 1.769 2.227 0.945 0.000 -0.295 0.000 3/14112 560.0 1.738 2.187 0.928 0.000 -0.290 0.000 3/14112 570.0 1.707 2.149 0.912 0.000 -0.285 0.000 3/14112 580.0 1.678 2.112 0.897 0.000 -0.280 0.000 3/14112 590.0 1.650 2.076 0.882 0.000 -0.275 0.000 3/14112 600.0 1.622 2.042 0.867 0.000 -0.271 0.000 3/14112 610.0 1.596 2.009 0.853 0.000 -0.266 0.000 3/14112 620.0 1.570 1.976 0.839 0.000 -0.262 0.000 3/14112 630.0 1.546 1.945 0.826 0.000 -0.258 0.000 3/14112 640.0 1.522 1.915 0.813 0.000 -0.254 0.000 3/14112 650.0 1.498 1.886 0.801 0.000 -0.250 0.000 3/14112 660.0 1.476 1.857 0.789 0.000 -0.246 0.000 3/14112 670.0 1.454 1.830 0.777 0.000 -0.242 0.000 3/14112 680.0 1.433 1.803 0.766 0.000 -0.239 0.000 3/14112 690.0 1.412 1.777 0.755 0.000 -0.235 0.000 3/14112 700.0 1.392 1.752 0.744 0.000 -0.232 0.000 3/14112 710.0 1.373 1.727 0.734 0.000 -0.229 0.000 3/14112 720.0 1.354 1.703 0.724 0.000 -0.226 0.000 3/14112 730.0 1.335 1.680 0.714 0.000 -0.223 0.000 3/14112 740.0 1.317 1.658 0.705 0.000 -0.220 0.000 3/14112 750.0 1.300 1.636 0.695 0.000 -0.217 0.000 3/14112 760.0 1.283 1.614 0.686 0.000 -0.214 0.000 3/14112 770.0 1.266 1.593 0.677 0.000 -0.211 0.000 3/14112 780.0 1.250 1.573 0.669 0.000 -0.208 0.000 3/14112 790.0 1.234 1.553 0.660 0.000 -0.206 0.000 3/14112 800.0 1.219 1.534 0.652 0.000 -0.203 0.000 3/14112 810.0 1.204 1.515 0.644 0.000 -0.201 0.000 3/14112 820.0 1.190 1.497 0.637 0.000 -0.198 0.000 3/14112 830.0 1.175 1.479 0.629 0.000 -0.196 0.000 3/14112 840.0 1.161 1.461 0.622 0.000 -0.194 0.000 3/14112 850.0 1.148 1.444 0.614 0.000 -0.191 0.000 3/14112 860.0 1.135 1.428 0.607 0.000 -0.189 0.000 3/14112 870.0 1.122 1.411 0.600 0.000 -0.187 0.000 3/14112 880.0 1.109 1.395 0.594 0.000 -0.185 0.000 3/14112 890.0 1.097 1.380 0.587 0.000 -0.183 0.000 3/14112 900.0 1.085 1.365 0.581 0.000 -0.181 0.000 3/14112 910.0 1.073 1.350 0.574 0.000 -0.179 0.000 3/14112 920.0 1.061 1.335 0.568 0.000 -0.177 0.000 3/14112 930.0 1.050 1.321 0.562 0.000 -0.175 0.000 3/14112 940.0 1.039 1.307 0.556 0.000 -0.173 0.000 3/14112 950.0 1.028 1.293 0.550 0.000 -0.171 0.000 3/14112 960.0 1.017 1.280 0.545 0.000 -0.170 0.000 3/14112 970.0 1.007 1.267 0.539 0.000 -0.168 0.000 3/14112 980.0 0.997 1.254 0.534 0.000 -0.166 0.000 3/14112 990.0 0.987 1.241 0.528 0.000 -0.164 0.000 3/14112 1000.0 0.977 1.229 0.523 0.000 -0.163 0.000 3/14112 Thermal conductivity related properties were written into "kappa-m8127.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:40:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|