----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:24:03]------------------------- Compiled with OpenMP support (max 48 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.809228940000000 -4.470106710000000 0.000000000000000 b 2.809228940000000 4.470106710000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.950614160000002 Atomic positions (fractional): *1 O 0.75376108675541 0.24623891324459 0.92351122141153 15.999 2 O 0.24623891324459 0.75376108675541 0.42351122141153 15.999 3 O 0.24623891324459 0.75376108675541 0.07648877858847 15.999 4 O 0.75376108675541 0.24623891324459 0.57648877858847 15.999 *5 O 0.26848194633554 0.16334939383002 0.25000000000000 15.999 6 O 0.73151805366446 0.83665060616998 0.75000000000000 15.999 7 O 0.83665060616998 0.73151805366446 0.25000000000000 15.999 8 O 0.16334939383002 0.26848194633554 0.75000000000000 15.999 *9 Na 0.81312879539318 0.18687120460682 0.25000000000000 22.990 10 Na 0.18687120460682 0.81312879539318 0.75000000000000 22.990 *11 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 12 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 *13 S 0.15072403705819 0.84927596294181 0.25000000000000 32.065 14 S 0.84927596294181 0.15072403705819 0.75000000000000 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.618457880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.940213419999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.950614160000002 Atomic positions (fractional): *1 O 0.50000000000000 0.74623891324459 0.92351122141153 15.999 > 1 2 O 0.50000000000000 0.25376108675541 0.42351122141153 15.999 > 2 3 O 0.50000000000000 0.25376108675541 0.07648877858847 15.999 > 3 4 O 0.50000000000000 0.74623891324459 0.57648877858847 15.999 > 4 *5 O 0.21591567008278 0.94743372374724 0.25000000000000 15.999 > 5 6 O 0.78408432991722 0.05256627625276 0.75000000000000 15.999 > 6 7 O 0.78408432991722 0.94743372374724 0.25000000000000 15.999 > 7 8 O 0.21591567008278 0.05256627625276 0.75000000000000 15.999 > 8 9 O 0.00000000000000 0.24623891324459 0.92351122141153 15.999 > 1 10 O 0.00000000000000 0.75376108675541 0.42351122141153 15.999 > 2 11 O 0.00000000000000 0.75376108675541 0.07648877858847 15.999 > 3 12 O 0.00000000000000 0.24623891324459 0.57648877858847 15.999 > 4 13 O 0.71591567008278 0.44743372374724 0.25000000000000 15.999 > 5 14 O 0.28408432991722 0.55256627625276 0.75000000000000 15.999 > 6 15 O 0.28408432991722 0.44743372374724 0.25000000000000 15.999 > 7 16 O 0.71591567008278 0.55256627625276 0.75000000000000 15.999 > 8 *17 Na 0.50000000000000 0.68687120460682 0.25000000000000 22.990 > 9 18 Na 0.50000000000000 0.31312879539318 0.75000000000000 22.990 > 10 *19 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 11 20 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 12 21 Na 0.00000000000000 0.18687120460682 0.25000000000000 22.990 > 9 22 Na 0.00000000000000 0.81312879539318 0.75000000000000 22.990 > 10 23 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 11 24 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 12 *25 S 0.50000000000000 0.34927596294181 0.25000000000000 32.065 > 13 26 S 0.50000000000000 0.65072403705819 0.75000000000000 32.065 > 14 27 S 0.00000000000000 0.84927596294181 0.25000000000000 32.065 > 13 28 S 0.00000000000000 0.15072403705819 0.75000000000000 32.065 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.236915760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.940213419999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.901228320000005 Atomic positions (fractional): *1 O 0.25000000000000 0.74623891324459 0.46175561070576 15.999 > 1 2 O 0.75000000000000 0.74623891324459 0.46175561070576 15.999 > 1 3 O 0.25000000000000 0.74623891324459 0.96175561070576 15.999 > 1 4 O 0.75000000000000 0.74623891324459 0.96175561070576 15.999 > 1 5 O 0.25000000000000 0.25376108675541 0.21175561070576 15.999 > 2 6 O 0.75000000000000 0.25376108675541 0.21175561070576 15.999 > 2 7 O 0.25000000000000 0.25376108675541 0.71175561070576 15.999 > 2 8 O 0.75000000000000 0.25376108675541 0.71175561070576 15.999 > 2 9 O 0.25000000000000 0.25376108675541 0.03824438929424 15.999 > 3 10 O 0.75000000000000 0.25376108675541 0.03824438929424 15.999 > 3 11 O 0.25000000000000 0.25376108675541 0.53824438929424 15.999 > 3 12 O 0.75000000000000 0.25376108675541 0.53824438929424 15.999 > 3 13 O 0.25000000000000 0.74623891324459 0.28824438929424 15.999 > 4 14 O 0.75000000000000 0.74623891324459 0.28824438929424 15.999 > 4 15 O 0.25000000000000 0.74623891324459 0.78824438929424 15.999 > 4 16 O 0.75000000000000 0.74623891324459 0.78824438929424 15.999 > 4 *17 O 0.10795783504139 0.94743372374724 0.12500000000000 15.999 > 5 18 O 0.60795783504139 0.94743372374724 0.12500000000000 15.999 > 5 19 O 0.10795783504139 0.94743372374724 0.62500000000000 15.999 > 5 20 O 0.60795783504139 0.94743372374724 0.62500000000000 15.999 > 5 21 O 0.39204216495861 0.05256627625276 0.37500000000000 15.999 > 6 22 O 0.89204216495861 0.05256627625276 0.37500000000000 15.999 > 6 23 O 0.39204216495861 0.05256627625276 0.87500000000000 15.999 > 6 24 O 0.89204216495861 0.05256627625276 0.87500000000000 15.999 > 6 25 O 0.39204216495861 0.94743372374724 0.12500000000000 15.999 > 7 26 O 0.89204216495861 0.94743372374724 0.12500000000000 15.999 > 7 27 O 0.39204216495861 0.94743372374724 0.62500000000000 15.999 > 7 28 O 0.89204216495861 0.94743372374724 0.62500000000000 15.999 > 7 29 O 0.10795783504139 0.05256627625276 0.37500000000000 15.999 > 8 30 O 0.60795783504139 0.05256627625276 0.37500000000000 15.999 > 8 31 O 0.10795783504139 0.05256627625276 0.87500000000000 15.999 > 8 32 O 0.60795783504139 0.05256627625276 0.87500000000000 15.999 > 8 33 O 0.00000000000000 0.24623891324459 0.46175561070576 15.999 > 1 34 O 0.50000000000000 0.24623891324459 0.46175561070576 15.999 > 1 35 O 0.00000000000000 0.24623891324459 0.96175561070576 15.999 > 1 36 O 0.50000000000000 0.24623891324459 0.96175561070576 15.999 > 1 37 O 0.00000000000000 0.75376108675541 0.21175561070576 15.999 > 2 38 O 0.50000000000000 0.75376108675541 0.21175561070576 15.999 > 2 39 O 0.00000000000000 0.75376108675541 0.71175561070576 15.999 > 2 40 O 0.50000000000000 0.75376108675541 0.71175561070576 15.999 > 2 41 O 0.00000000000000 0.75376108675541 0.03824438929424 15.999 > 3 42 O 0.50000000000000 0.75376108675541 0.03824438929424 15.999 > 3 43 O 0.00000000000000 0.75376108675541 0.53824438929424 15.999 > 3 44 O 0.50000000000000 0.75376108675541 0.53824438929424 15.999 > 3 45 O 0.00000000000000 0.24623891324459 0.28824438929424 15.999 > 4 46 O 0.50000000000000 0.24623891324459 0.28824438929424 15.999 > 4 47 O 0.00000000000000 0.24623891324459 0.78824438929424 15.999 > 4 48 O 0.50000000000000 0.24623891324459 0.78824438929424 15.999 > 4 49 O 0.35795783504139 0.44743372374724 0.12500000000000 15.999 > 5 50 O 0.85795783504139 0.44743372374724 0.12500000000000 15.999 > 5 51 O 0.35795783504139 0.44743372374724 0.62500000000000 15.999 > 5 52 O 0.85795783504139 0.44743372374724 0.62500000000000 15.999 > 5 53 O 0.14204216495861 0.55256627625276 0.37500000000000 15.999 > 6 54 O 0.64204216495861 0.55256627625276 0.37500000000000 15.999 > 6 55 O 0.14204216495861 0.55256627625276 0.87500000000000 15.999 > 6 56 O 0.64204216495861 0.55256627625276 0.87500000000000 15.999 > 6 57 O 0.14204216495861 0.44743372374724 0.12500000000000 15.999 > 7 58 O 0.64204216495861 0.44743372374724 0.12500000000000 15.999 > 7 59 O 0.14204216495861 0.44743372374724 0.62500000000000 15.999 > 7 60 O 0.64204216495861 0.44743372374724 0.62500000000000 15.999 > 7 61 O 0.35795783504139 0.55256627625276 0.37500000000000 15.999 > 8 62 O 0.85795783504139 0.55256627625276 0.37500000000000 15.999 > 8 63 O 0.35795783504139 0.55256627625276 0.87500000000000 15.999 > 8 64 O 0.85795783504139 0.55256627625276 0.87500000000000 15.999 > 8 *65 Na 0.25000000000000 0.68687120460682 0.12500000000000 22.990 > 9 66 Na 0.75000000000000 0.68687120460682 0.12500000000000 22.990 > 9 67 Na 0.25000000000000 0.68687120460682 0.62500000000000 22.990 > 9 68 Na 0.75000000000000 0.68687120460682 0.62500000000000 22.990 > 9 69 Na 0.25000000000000 0.31312879539318 0.37500000000000 22.990 > 10 70 Na 0.75000000000000 0.31312879539318 0.37500000000000 22.990 > 10 71 Na 0.25000000000000 0.31312879539318 0.87500000000000 22.990 > 10 72 Na 0.75000000000000 0.31312879539318 0.87500000000000 22.990 > 10 *73 Na 0.25000000000000 0.00000000000000 0.25000000000000 22.990 > 11 74 Na 0.75000000000000 0.00000000000000 0.25000000000000 22.990 > 11 75 Na 0.25000000000000 0.00000000000000 0.75000000000000 22.990 > 11 76 Na 0.75000000000000 0.00000000000000 0.75000000000000 22.990 > 11 77 Na 0.25000000000000 0.00000000000000 0.00000000000000 22.990 > 12 78 Na 0.75000000000000 0.00000000000000 0.00000000000000 22.990 > 12 79 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 12 80 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 12 81 Na 0.00000000000000 0.18687120460682 0.12500000000000 22.990 > 9 82 Na 0.50000000000000 0.18687120460682 0.12500000000000 22.990 > 9 83 Na 0.00000000000000 0.18687120460682 0.62500000000000 22.990 > 9 84 Na 0.50000000000000 0.18687120460682 0.62500000000000 22.990 > 9 85 Na 0.00000000000000 0.81312879539318 0.37500000000000 22.990 > 10 86 Na 0.50000000000000 0.81312879539318 0.37500000000000 22.990 > 10 87 Na 0.00000000000000 0.81312879539318 0.87500000000000 22.990 > 10 88 Na 0.50000000000000 0.81312879539318 0.87500000000000 22.990 > 10 89 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 11 90 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 11 91 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 11 92 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 11 93 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 12 94 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 12 95 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 12 96 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 12 *97 S 0.25000000000000 0.34927596294181 0.12500000000000 32.065 > 13 98 S 0.75000000000000 0.34927596294181 0.12500000000000 32.065 > 13 99 S 0.25000000000000 0.34927596294181 0.62500000000000 32.065 > 13 100 S 0.75000000000000 0.34927596294181 0.62500000000000 32.065 > 13 101 S 0.25000000000000 0.65072403705819 0.37500000000000 32.065 > 14 102 S 0.75000000000000 0.65072403705819 0.37500000000000 32.065 > 14 103 S 0.25000000000000 0.65072403705819 0.87500000000000 32.065 > 14 104 S 0.75000000000000 0.65072403705819 0.87500000000000 32.065 > 14 105 S 0.00000000000000 0.84927596294181 0.12500000000000 32.065 > 13 106 S 0.50000000000000 0.84927596294181 0.12500000000000 32.065 > 13 107 S 0.00000000000000 0.84927596294181 0.62500000000000 32.065 > 13 108 S 0.50000000000000 0.84927596294181 0.62500000000000 32.065 > 13 109 S 0.00000000000000 0.15072403705819 0.37500000000000 32.065 > 14 110 S 0.50000000000000 0.15072403705819 0.37500000000000 32.065 > 14 111 S 0.00000000000000 0.15072403705819 0.87500000000000 32.065 > 14 112 S 0.50000000000000 0.15072403705819 0.87500000000000 32.065 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3059035 0.0000000 0.0000000 0.0000000 2.3025131 0.0000000 0.0000000 0.0000000 2.2973621 -------------------------- Born effective charges -------------------------- 1 O -0.9206668 0.0000000 0.0000000 0.0000000 -1.3319204 -0.5044157 0.0000000 -0.5396490 -1.7410825 2 O -0.9206668 0.0000000 0.0000000 0.0000000 -1.3319204 0.5044157 0.0000000 0.5396490 -1.7410825 3 O -0.9206668 0.0000000 0.0000000 0.0000000 -1.3319204 -0.5044157 0.0000000 -0.5396490 -1.7410825 4 O -0.9206668 0.0000000 0.0000000 0.0000000 -1.3319204 0.5044157 0.0000000 0.5396490 -1.7410825 5 O -1.7541393 -0.5375035 0.0000000 -0.5033747 -1.3640624 0.0000000 0.0000000 0.0000000 -0.9779786 6 O -1.7541393 -0.5375035 0.0000000 -0.5033747 -1.3640624 0.0000000 0.0000000 0.0000000 -0.9779786 7 O -1.7541393 0.5375035 0.0000000 0.5033747 -1.3640624 0.0000000 0.0000000 0.0000000 -0.9779786 8 O -1.7541393 0.5375035 0.0000000 0.5033747 -1.3640624 0.0000000 0.0000000 0.0000000 -0.9779786 9 Na 1.0897151 0.0000000 0.0000000 0.0000000 1.0985263 0.0000000 0.0000000 0.0000000 1.1410737 10 Na 1.0897151 0.0000000 0.0000000 0.0000000 1.0985263 0.0000000 0.0000000 0.0000000 1.1410737 11 Na 1.2204396 0.0000000 0.0000000 0.0000000 1.1749997 0.1258224 0.0000000 -0.0988172 1.0607356 12 Na 1.2204396 0.0000000 0.0000000 0.0000000 1.1749997 -0.1258224 0.0000000 0.0988172 1.0607356 13 S 3.0394575 0.0000000 0.0000000 0.0000000 3.1184398 0.0000000 0.0000000 0.0000000 3.2363129 14 S 3.0394575 0.0000000 0.0000000 0.0000000 3.1184398 0.0000000 0.0000000 0.0000000 3.2363129 ---------------------------------------------------------------------------- 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: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1025 Number of blocks in projector: 1025 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: 213 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: 173 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 117 Use standard eigh solver. Tree of FC basis block matrices: - (1025, 1004), data: False |-- (117, 117), data: True |-- (173, 171), data: True |-- (174, 169), data: True |-- (174, 169), data: True |-- (174, 169), data: True |-- (213, 209), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.235 Solver_block: 200 / 240 - Time: 0.239 Solver_block: 240 / 240 - Time: 0.124 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.614 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1025 Number of blocks in projector: 1025 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: 213 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: 173 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 117 Use standard eigh solver. Tree of FC basis block matrices: - (1025, 1004), data: False |-- (117, 117), data: True |-- (173, 171), data: True |-- (174, 169), data: True |-- (174, 169), data: True |-- (174, 169), data: True |-- (213, 209), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:24:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:24:13]------------------------- Compiled with OpenMP support (max 48 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.809228940000000 -4.470106710000000 0.000000000000000 b 2.809228940000000 4.470106710000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.950614160000002 Atomic positions (fractional): 1 O 0.75376108675541 0.24623891324459 0.92351122141153 15.999 2 O 0.24623891324459 0.75376108675541 0.42351122141153 15.999 3 O 0.24623891324459 0.75376108675541 0.07648877858847 15.999 4 O 0.75376108675541 0.24623891324459 0.57648877858847 15.999 5 O 0.26848194633554 0.16334939383002 0.25000000000000 15.999 6 O 0.73151805366446 0.83665060616998 0.75000000000000 15.999 7 O 0.83665060616998 0.73151805366446 0.25000000000000 15.999 8 O 0.16334939383002 0.26848194633554 0.75000000000000 15.999 9 Na 0.81312879539318 0.18687120460682 0.25000000000000 22.990 10 Na 0.18687120460682 0.81312879539318 0.75000000000000 22.990 11 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 12 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 13 S 0.15072403705819 0.84927596294181 0.25000000000000 32.065 14 S 0.84927596294181 0.15072403705819 0.75000000000000 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.236915760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.940213419999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.901228320000005 Atomic positions (fractional): 1 O 0.25000000000000 0.74623891324459 0.46175561070576 15.999 > 1 2 O 0.75000000000000 0.74623891324459 0.46175561070576 15.999 > 1 3 O 0.25000000000000 0.74623891324459 0.96175561070576 15.999 > 1 4 O 0.75000000000000 0.74623891324459 0.96175561070576 15.999 > 1 5 O 0.25000000000000 0.25376108675541 0.21175561070576 15.999 > 5 6 O 0.75000000000000 0.25376108675541 0.21175561070576 15.999 > 5 7 O 0.25000000000000 0.25376108675541 0.71175561070576 15.999 > 5 8 O 0.75000000000000 0.25376108675541 0.71175561070576 15.999 > 5 9 O 0.25000000000000 0.25376108675541 0.03824438929424 15.999 > 9 10 O 0.75000000000000 0.25376108675541 0.03824438929424 15.999 > 9 11 O 0.25000000000000 0.25376108675541 0.53824438929424 15.999 > 9 12 O 0.75000000000000 0.25376108675541 0.53824438929424 15.999 > 9 13 O 0.25000000000000 0.74623891324459 0.28824438929424 15.999 > 13 14 O 0.75000000000000 0.74623891324459 0.28824438929424 15.999 > 13 15 O 0.25000000000000 0.74623891324459 0.78824438929424 15.999 > 13 16 O 0.75000000000000 0.74623891324459 0.78824438929424 15.999 > 13 17 O 0.10795783504139 0.94743372374724 0.12500000000000 15.999 > 17 18 O 0.60795783504139 0.94743372374724 0.12500000000000 15.999 > 17 19 O 0.10795783504139 0.94743372374724 0.62500000000000 15.999 > 17 20 O 0.60795783504139 0.94743372374724 0.62500000000000 15.999 > 17 21 O 0.39204216495861 0.05256627625276 0.37500000000000 15.999 > 21 22 O 0.89204216495861 0.05256627625276 0.37500000000000 15.999 > 21 23 O 0.39204216495861 0.05256627625276 0.87500000000000 15.999 > 21 24 O 0.89204216495861 0.05256627625276 0.87500000000000 15.999 > 21 25 O 0.39204216495861 0.94743372374724 0.12500000000000 15.999 > 25 26 O 0.89204216495861 0.94743372374724 0.12500000000000 15.999 > 25 27 O 0.39204216495861 0.94743372374724 0.62500000000000 15.999 > 25 28 O 0.89204216495861 0.94743372374724 0.62500000000000 15.999 > 25 29 O 0.10795783504139 0.05256627625276 0.37500000000000 15.999 > 29 30 O 0.60795783504139 0.05256627625276 0.37500000000000 15.999 > 29 31 O 0.10795783504139 0.05256627625276 0.87500000000000 15.999 > 29 32 O 0.60795783504139 0.05256627625276 0.87500000000000 15.999 > 29 33 O 0.00000000000000 0.24623891324459 0.46175561070576 15.999 > 1 34 O 0.50000000000000 0.24623891324459 0.46175561070576 15.999 > 1 35 O 0.00000000000000 0.24623891324459 0.96175561070576 15.999 > 1 36 O 0.50000000000000 0.24623891324459 0.96175561070576 15.999 > 1 37 O 0.00000000000000 0.75376108675541 0.21175561070576 15.999 > 5 38 O 0.50000000000000 0.75376108675541 0.21175561070576 15.999 > 5 39 O 0.00000000000000 0.75376108675541 0.71175561070576 15.999 > 5 40 O 0.50000000000000 0.75376108675541 0.71175561070576 15.999 > 5 41 O 0.00000000000000 0.75376108675541 0.03824438929424 15.999 > 9 42 O 0.50000000000000 0.75376108675541 0.03824438929424 15.999 > 9 43 O 0.00000000000000 0.75376108675541 0.53824438929424 15.999 > 9 44 O 0.50000000000000 0.75376108675541 0.53824438929424 15.999 > 9 45 O 0.00000000000000 0.24623891324459 0.28824438929424 15.999 > 13 46 O 0.50000000000000 0.24623891324459 0.28824438929424 15.999 > 13 47 O 0.00000000000000 0.24623891324459 0.78824438929424 15.999 > 13 48 O 0.50000000000000 0.24623891324459 0.78824438929424 15.999 > 13 49 O 0.35795783504139 0.44743372374724 0.12500000000000 15.999 > 17 50 O 0.85795783504139 0.44743372374724 0.12500000000000 15.999 > 17 51 O 0.35795783504139 0.44743372374724 0.62500000000000 15.999 > 17 52 O 0.85795783504139 0.44743372374724 0.62500000000000 15.999 > 17 53 O 0.14204216495861 0.55256627625276 0.37500000000000 15.999 > 21 54 O 0.64204216495861 0.55256627625276 0.37500000000000 15.999 > 21 55 O 0.14204216495861 0.55256627625276 0.87500000000000 15.999 > 21 56 O 0.64204216495861 0.55256627625276 0.87500000000000 15.999 > 21 57 O 0.14204216495861 0.44743372374724 0.12500000000000 15.999 > 25 58 O 0.64204216495861 0.44743372374724 0.12500000000000 15.999 > 25 59 O 0.14204216495861 0.44743372374724 0.62500000000000 15.999 > 25 60 O 0.64204216495861 0.44743372374724 0.62500000000000 15.999 > 25 61 O 0.35795783504139 0.55256627625276 0.37500000000000 15.999 > 29 62 O 0.85795783504139 0.55256627625276 0.37500000000000 15.999 > 29 63 O 0.35795783504139 0.55256627625276 0.87500000000000 15.999 > 29 64 O 0.85795783504139 0.55256627625276 0.87500000000000 15.999 > 29 65 Na 0.25000000000000 0.68687120460682 0.12500000000000 22.990 > 65 66 Na 0.75000000000000 0.68687120460682 0.12500000000000 22.990 > 65 67 Na 0.25000000000000 0.68687120460682 0.62500000000000 22.990 > 65 68 Na 0.75000000000000 0.68687120460682 0.62500000000000 22.990 > 65 69 Na 0.25000000000000 0.31312879539318 0.37500000000000 22.990 > 69 70 Na 0.75000000000000 0.31312879539318 0.37500000000000 22.990 > 69 71 Na 0.25000000000000 0.31312879539318 0.87500000000000 22.990 > 69 72 Na 0.75000000000000 0.31312879539318 0.87500000000000 22.990 > 69 73 Na 0.25000000000000 0.00000000000000 0.25000000000000 22.990 > 73 74 Na 0.75000000000000 0.00000000000000 0.25000000000000 22.990 > 73 75 Na 0.25000000000000 0.00000000000000 0.75000000000000 22.990 > 73 76 Na 0.75000000000000 0.00000000000000 0.75000000000000 22.990 > 73 77 Na 0.25000000000000 0.00000000000000 0.00000000000000 22.990 > 77 78 Na 0.75000000000000 0.00000000000000 0.00000000000000 22.990 > 77 79 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 77 80 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 77 81 Na 0.00000000000000 0.18687120460682 0.12500000000000 22.990 > 65 82 Na 0.50000000000000 0.18687120460682 0.12500000000000 22.990 > 65 83 Na 0.00000000000000 0.18687120460682 0.62500000000000 22.990 > 65 84 Na 0.50000000000000 0.18687120460682 0.62500000000000 22.990 > 65 85 Na 0.00000000000000 0.81312879539318 0.37500000000000 22.990 > 69 86 Na 0.50000000000000 0.81312879539318 0.37500000000000 22.990 > 69 87 Na 0.00000000000000 0.81312879539318 0.87500000000000 22.990 > 69 88 Na 0.50000000000000 0.81312879539318 0.87500000000000 22.990 > 69 89 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 73 90 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 73 91 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 73 92 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 73 93 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 77 94 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 77 95 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 77 96 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 77 97 S 0.25000000000000 0.34927596294181 0.12500000000000 32.065 > 97 98 S 0.75000000000000 0.34927596294181 0.12500000000000 32.065 > 97 99 S 0.25000000000000 0.34927596294181 0.62500000000000 32.065 > 97 100 S 0.75000000000000 0.34927596294181 0.62500000000000 32.065 > 97 101 S 0.25000000000000 0.65072403705819 0.37500000000000 32.065 > 101 102 S 0.75000000000000 0.65072403705819 0.37500000000000 32.065 > 101 103 S 0.25000000000000 0.65072403705819 0.87500000000000 32.065 > 101 104 S 0.75000000000000 0.65072403705819 0.87500000000000 32.065 > 101 105 S 0.00000000000000 0.84927596294181 0.12500000000000 32.065 > 97 106 S 0.50000000000000 0.84927596294181 0.12500000000000 32.065 > 97 107 S 0.00000000000000 0.84927596294181 0.62500000000000 32.065 > 97 108 S 0.50000000000000 0.84927596294181 0.62500000000000 32.065 > 97 109 S 0.00000000000000 0.15072403705819 0.37500000000000 32.065 > 101 110 S 0.50000000000000 0.15072403705819 0.37500000000000 32.065 > 101 111 S 0.00000000000000 0.15072403705819 0.87500000000000 32.065 > 101 112 S 0.50000000000000 0.15072403705819 0.87500000000000 32.065 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3059035 0.0000000 0.0000000 0.0000000 2.3025131 0.0000000 0.0000000 0.0000000 2.2973621 -------------------------- Born effective charges -------------------------- 1 O -0.9206668 0.0000000 0.0000000 0.0000000 -1.3319204 -0.5044157 0.0000000 -0.5396490 -1.7410825 2 O -0.9206668 0.0000000 0.0000000 0.0000000 -1.3319204 0.5044157 0.0000000 0.5396490 -1.7410825 3 O -0.9206668 0.0000000 0.0000000 0.0000000 -1.3319204 -0.5044157 0.0000000 -0.5396490 -1.7410825 4 O -0.9206668 0.0000000 0.0000000 0.0000000 -1.3319204 0.5044157 0.0000000 0.5396490 -1.7410825 5 O -1.7541393 -0.5375035 0.0000000 -0.5033747 -1.3640624 0.0000000 0.0000000 0.0000000 -0.9779786 6 O -1.7541393 -0.5375035 0.0000000 -0.5033747 -1.3640624 0.0000000 0.0000000 0.0000000 -0.9779786 7 O -1.7541393 0.5375035 0.0000000 0.5033747 -1.3640624 0.0000000 0.0000000 0.0000000 -0.9779786 8 O -1.7541393 0.5375035 0.0000000 0.5033747 -1.3640624 0.0000000 0.0000000 0.0000000 -0.9779786 9 Na 1.0897151 0.0000000 0.0000000 0.0000000 1.0985263 0.0000000 0.0000000 0.0000000 1.1410737 10 Na 1.0897151 0.0000000 0.0000000 0.0000000 1.0985263 0.0000000 0.0000000 0.0000000 1.1410737 11 Na 1.2204396 0.0000000 0.0000000 0.0000000 1.1749997 0.1258224 0.0000000 -0.0988172 1.0607356 12 Na 1.2204396 0.0000000 0.0000000 0.0000000 1.1749997 -0.1258224 0.0000000 0.0988172 1.0607356 13 S 3.0394575 0.0000000 0.0000000 0.0000000 3.1184398 0.0000000 0.0000000 0.0000000 3.2363129 14 S 3.0394575 0.0000000 0.0000000 0.0000000 3.1184398 0.0000000 0.0000000 0.0000000 3.2363129 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000020 (yyy) 0.00000020 (yyy) 0.00000020 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:24:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:24:24]------------------------- Compiled with OpenMP support (max 48 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.809228940000000 -4.470106710000000 0.000000000000000 b 2.809228940000000 4.470106710000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.950614160000002 Atomic positions (fractional): 1 O 0.75376108675541 0.24623891324459 0.92351122141153 15.999 2 O 0.24623891324459 0.75376108675541 0.42351122141153 15.999 3 O 0.24623891324459 0.75376108675541 0.07648877858847 15.999 4 O 0.75376108675541 0.24623891324459 0.57648877858847 15.999 5 O 0.26848194633554 0.16334939383002 0.25000000000000 15.999 6 O 0.73151805366446 0.83665060616998 0.75000000000000 15.999 7 O 0.83665060616998 0.73151805366446 0.25000000000000 15.999 8 O 0.16334939383002 0.26848194633554 0.75000000000000 15.999 9 Na 0.81312879539318 0.18687120460682 0.25000000000000 22.990 10 Na 0.18687120460682 0.81312879539318 0.75000000000000 22.990 11 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 12 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 13 S 0.15072403705819 0.84927596294181 0.25000000000000 32.065 14 S 0.84927596294181 0.15072403705819 0.75000000000000 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.236915760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.940213419999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.901228320000005 Atomic positions (fractional): 1 O 0.25000000000000 0.74623891324459 0.46175561070576 15.999 > 1 2 O 0.75000000000000 0.74623891324459 0.46175561070576 15.999 > 1 3 O 0.25000000000000 0.74623891324459 0.96175561070576 15.999 > 1 4 O 0.75000000000000 0.74623891324459 0.96175561070576 15.999 > 1 5 O 0.25000000000000 0.25376108675541 0.21175561070576 15.999 > 5 6 O 0.75000000000000 0.25376108675541 0.21175561070576 15.999 > 5 7 O 0.25000000000000 0.25376108675541 0.71175561070576 15.999 > 5 8 O 0.75000000000000 0.25376108675541 0.71175561070576 15.999 > 5 9 O 0.25000000000000 0.25376108675541 0.03824438929424 15.999 > 9 10 O 0.75000000000000 0.25376108675541 0.03824438929424 15.999 > 9 11 O 0.25000000000000 0.25376108675541 0.53824438929424 15.999 > 9 12 O 0.75000000000000 0.25376108675541 0.53824438929424 15.999 > 9 13 O 0.25000000000000 0.74623891324459 0.28824438929424 15.999 > 13 14 O 0.75000000000000 0.74623891324459 0.28824438929424 15.999 > 13 15 O 0.25000000000000 0.74623891324459 0.78824438929424 15.999 > 13 16 O 0.75000000000000 0.74623891324459 0.78824438929424 15.999 > 13 17 O 0.10795783504139 0.94743372374724 0.12500000000000 15.999 > 17 18 O 0.60795783504139 0.94743372374724 0.12500000000000 15.999 > 17 19 O 0.10795783504139 0.94743372374724 0.62500000000000 15.999 > 17 20 O 0.60795783504139 0.94743372374724 0.62500000000000 15.999 > 17 21 O 0.39204216495861 0.05256627625276 0.37500000000000 15.999 > 21 22 O 0.89204216495861 0.05256627625276 0.37500000000000 15.999 > 21 23 O 0.39204216495861 0.05256627625276 0.87500000000000 15.999 > 21 24 O 0.89204216495861 0.05256627625276 0.87500000000000 15.999 > 21 25 O 0.39204216495861 0.94743372374724 0.12500000000000 15.999 > 25 26 O 0.89204216495861 0.94743372374724 0.12500000000000 15.999 > 25 27 O 0.39204216495861 0.94743372374724 0.62500000000000 15.999 > 25 28 O 0.89204216495861 0.94743372374724 0.62500000000000 15.999 > 25 29 O 0.10795783504139 0.05256627625276 0.37500000000000 15.999 > 29 30 O 0.60795783504139 0.05256627625276 0.37500000000000 15.999 > 29 31 O 0.10795783504139 0.05256627625276 0.87500000000000 15.999 > 29 32 O 0.60795783504139 0.05256627625276 0.87500000000000 15.999 > 29 33 O 0.00000000000000 0.24623891324459 0.46175561070576 15.999 > 1 34 O 0.50000000000000 0.24623891324459 0.46175561070576 15.999 > 1 35 O 0.00000000000000 0.24623891324459 0.96175561070576 15.999 > 1 36 O 0.50000000000000 0.24623891324459 0.96175561070576 15.999 > 1 37 O 0.00000000000000 0.75376108675541 0.21175561070576 15.999 > 5 38 O 0.50000000000000 0.75376108675541 0.21175561070576 15.999 > 5 39 O 0.00000000000000 0.75376108675541 0.71175561070576 15.999 > 5 40 O 0.50000000000000 0.75376108675541 0.71175561070576 15.999 > 5 41 O 0.00000000000000 0.75376108675541 0.03824438929424 15.999 > 9 42 O 0.50000000000000 0.75376108675541 0.03824438929424 15.999 > 9 43 O 0.00000000000000 0.75376108675541 0.53824438929424 15.999 > 9 44 O 0.50000000000000 0.75376108675541 0.53824438929424 15.999 > 9 45 O 0.00000000000000 0.24623891324459 0.28824438929424 15.999 > 13 46 O 0.50000000000000 0.24623891324459 0.28824438929424 15.999 > 13 47 O 0.00000000000000 0.24623891324459 0.78824438929424 15.999 > 13 48 O 0.50000000000000 0.24623891324459 0.78824438929424 15.999 > 13 49 O 0.35795783504139 0.44743372374724 0.12500000000000 15.999 > 17 50 O 0.85795783504139 0.44743372374724 0.12500000000000 15.999 > 17 51 O 0.35795783504139 0.44743372374724 0.62500000000000 15.999 > 17 52 O 0.85795783504139 0.44743372374724 0.62500000000000 15.999 > 17 53 O 0.14204216495861 0.55256627625276 0.37500000000000 15.999 > 21 54 O 0.64204216495861 0.55256627625276 0.37500000000000 15.999 > 21 55 O 0.14204216495861 0.55256627625276 0.87500000000000 15.999 > 21 56 O 0.64204216495861 0.55256627625276 0.87500000000000 15.999 > 21 57 O 0.14204216495861 0.44743372374724 0.12500000000000 15.999 > 25 58 O 0.64204216495861 0.44743372374724 0.12500000000000 15.999 > 25 59 O 0.14204216495861 0.44743372374724 0.62500000000000 15.999 > 25 60 O 0.64204216495861 0.44743372374724 0.62500000000000 15.999 > 25 61 O 0.35795783504139 0.55256627625276 0.37500000000000 15.999 > 29 62 O 0.85795783504139 0.55256627625276 0.37500000000000 15.999 > 29 63 O 0.35795783504139 0.55256627625276 0.87500000000000 15.999 > 29 64 O 0.85795783504139 0.55256627625276 0.87500000000000 15.999 > 29 65 Na 0.25000000000000 0.68687120460682 0.12500000000000 22.990 > 65 66 Na 0.75000000000000 0.68687120460682 0.12500000000000 22.990 > 65 67 Na 0.25000000000000 0.68687120460682 0.62500000000000 22.990 > 65 68 Na 0.75000000000000 0.68687120460682 0.62500000000000 22.990 > 65 69 Na 0.25000000000000 0.31312879539318 0.37500000000000 22.990 > 69 70 Na 0.75000000000000 0.31312879539318 0.37500000000000 22.990 > 69 71 Na 0.25000000000000 0.31312879539318 0.87500000000000 22.990 > 69 72 Na 0.75000000000000 0.31312879539318 0.87500000000000 22.990 > 69 73 Na 0.25000000000000 0.00000000000000 0.25000000000000 22.990 > 73 74 Na 0.75000000000000 0.00000000000000 0.25000000000000 22.990 > 73 75 Na 0.25000000000000 0.00000000000000 0.75000000000000 22.990 > 73 76 Na 0.75000000000000 0.00000000000000 0.75000000000000 22.990 > 73 77 Na 0.25000000000000 0.00000000000000 0.00000000000000 22.990 > 77 78 Na 0.75000000000000 0.00000000000000 0.00000000000000 22.990 > 77 79 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 77 80 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 77 81 Na 0.00000000000000 0.18687120460682 0.12500000000000 22.990 > 65 82 Na 0.50000000000000 0.18687120460682 0.12500000000000 22.990 > 65 83 Na 0.00000000000000 0.18687120460682 0.62500000000000 22.990 > 65 84 Na 0.50000000000000 0.18687120460682 0.62500000000000 22.990 > 65 85 Na 0.00000000000000 0.81312879539318 0.37500000000000 22.990 > 69 86 Na 0.50000000000000 0.81312879539318 0.37500000000000 22.990 > 69 87 Na 0.00000000000000 0.81312879539318 0.87500000000000 22.990 > 69 88 Na 0.50000000000000 0.81312879539318 0.87500000000000 22.990 > 69 89 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 73 90 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 73 91 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 73 92 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 73 93 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 77 94 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 77 95 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 77 96 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 77 97 S 0.25000000000000 0.34927596294181 0.12500000000000 32.065 > 97 98 S 0.75000000000000 0.34927596294181 0.12500000000000 32.065 > 97 99 S 0.25000000000000 0.34927596294181 0.62500000000000 32.065 > 97 100 S 0.75000000000000 0.34927596294181 0.62500000000000 32.065 > 97 101 S 0.25000000000000 0.65072403705819 0.37500000000000 32.065 > 101 102 S 0.75000000000000 0.65072403705819 0.37500000000000 32.065 > 101 103 S 0.25000000000000 0.65072403705819 0.87500000000000 32.065 > 101 104 S 0.75000000000000 0.65072403705819 0.87500000000000 32.065 > 101 105 S 0.00000000000000 0.84927596294181 0.12500000000000 32.065 > 97 106 S 0.50000000000000 0.84927596294181 0.12500000000000 32.065 > 97 107 S 0.00000000000000 0.84927596294181 0.62500000000000 32.065 > 97 108 S 0.50000000000000 0.84927596294181 0.62500000000000 32.065 > 97 109 S 0.00000000000000 0.15072403705819 0.37500000000000 32.065 > 101 110 S 0.50000000000000 0.15072403705819 0.37500000000000 32.065 > 101 111 S 0.00000000000000 0.15072403705819 0.87500000000000 32.065 > 101 112 S 0.50000000000000 0.15072403705819 0.87500000000000 32.065 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3059035 0.0000000 0.0000000 0.0000000 2.3025131 0.0000000 0.0000000 0.0000000 2.2973621 -------------------------- Born effective charges -------------------------- 1 O -0.9206668 0.0000000 0.0000000 0.0000000 -1.3319204 -0.5044157 0.0000000 -0.5396490 -1.7410825 2 O -0.9206668 0.0000000 0.0000000 0.0000000 -1.3319204 0.5044157 0.0000000 0.5396490 -1.7410825 3 O -0.9206668 0.0000000 0.0000000 0.0000000 -1.3319204 -0.5044157 0.0000000 -0.5396490 -1.7410825 4 O -0.9206668 0.0000000 0.0000000 0.0000000 -1.3319204 0.5044157 0.0000000 0.5396490 -1.7410825 5 O -1.7541393 -0.5375035 0.0000000 -0.5033747 -1.3640624 0.0000000 0.0000000 0.0000000 -0.9779786 6 O -1.7541393 -0.5375035 0.0000000 -0.5033747 -1.3640624 0.0000000 0.0000000 0.0000000 -0.9779786 7 O -1.7541393 0.5375035 0.0000000 0.5033747 -1.3640624 0.0000000 0.0000000 0.0000000 -0.9779786 8 O -1.7541393 0.5375035 0.0000000 0.5033747 -1.3640624 0.0000000 0.0000000 0.0000000 -0.9779786 9 Na 1.0897151 0.0000000 0.0000000 0.0000000 1.0985263 0.0000000 0.0000000 0.0000000 1.1410737 10 Na 1.0897151 0.0000000 0.0000000 0.0000000 1.0985263 0.0000000 0.0000000 0.0000000 1.1410737 11 Na 1.2204396 0.0000000 0.0000000 0.0000000 1.1749997 0.1258224 0.0000000 -0.0988172 1.0607356 12 Na 1.2204396 0.0000000 0.0000000 0.0000000 1.1749997 -0.1258224 0.0000000 0.0988172 1.0607356 13 S 3.0394575 0.0000000 0.0000000 0.0000000 3.1184398 0.0000000 0.0000000 0.0000000 3.2363129 14 S 3.0394575 0.0000000 0.0000000 0.0000000 3.1184398 0.0000000 0.0000000 0.0000000 3.2363129 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000020 (yyy) 0.00000020 (yyy) 0.00000020 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 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: 0.74, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 144 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 0.954 ( 0.000 0.000 0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 2.024 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 3.516 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.697 ( 0.000 0.000 0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 4.493 ( 0.000 0.000 0.000) 0.000 4.877 ( 0.000 0.000 0.000) 0.000 4.922 ( 0.000 0.000 0.000) 0.000 5.231 ( 0.000 0.000 0.000) 0.000 5.336 ( 0.000 0.000 0.000) 0.000 5.344 ( 0.000 0.000 0.000) 0.000 5.574 ( 0.000 0.000 0.000) 0.000 5.842 ( 0.000 0.000 0.000) 0.000 6.544 ( 0.000 0.000 0.000) 0.000 6.813 ( 0.000 0.000 0.000) 0.000 6.957 ( 0.000 0.000 0.000) 0.000 7.000 ( 0.000 0.000 0.000) 0.000 7.293 ( 0.000 0.000 0.000) 0.000 12.706 ( 0.000 0.000 0.000) 0.000 13.007 ( 0.000 0.000 0.000) 0.000 13.365 ( 0.000 0.000 0.000) 0.000 13.665 ( 0.000 0.000 0.000) 0.000 17.276 ( 0.000 0.000 0.000) 0.000 17.386 ( 0.000 0.000 0.000) 0.000 17.750 ( 0.000 0.000 0.000) 0.000 18.075 ( 0.000 0.000 0.000) 0.000 18.196 ( 0.000 0.000 0.000) 0.000 18.217 ( 0.000 0.000 0.000) 0.000 28.354 ( 0.000 0.000 0.000) 0.000 28.382 ( 0.000 0.000 0.000) 0.000 30.750 ( 0.000 0.000 0.000) 0.000 31.277 ( 0.000 0.000 0.000) 0.000 32.521 ( 0.000 0.000 0.000) 0.000 32.670 ( 0.000 0.000 0.000) 0.000 32.681 ( 0.000 0.000 0.000) 0.000 34.508 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 24.742 -15.462 0.000) 29.176 0.609 ( 13.844 -34.419 0.000) 37.099 0.917 ( 45.748 -15.023 0.000) 48.152 1.675 ( -10.560 2.609 0.000) 10.877 1.993 ( 16.200 21.253 0.000) 26.723 2.165 ( 19.101 8.134 0.000) 20.761 3.084 ( 15.217 1.801 0.000) 15.324 3.488 ( -4.735 -2.431 0.000) 5.323 3.707 ( 2.772 4.525 0.000) 5.306 3.812 ( 7.181 -0.563 0.000) 7.203 3.946 ( 13.861 21.511 0.000) 25.590 4.479 ( -2.783 -1.700 0.000) 3.261 4.660 ( -11.753 14.986 0.000) 19.045 4.946 ( -8.429 -12.854 0.000) 15.371 5.177 ( -0.853 7.930 0.000) 7.976 5.345 ( 7.708 10.998 0.000) 13.430 5.443 ( -2.557 -10.522 0.000) 10.829 5.910 ( 1.990 -6.648 0.000) 6.940 6.546 ( 0.605 0.070 0.000) 0.609 6.631 ( 24.059 36.039 0.000) 43.331 6.806 ( -1.808 0.016 0.000) 1.808 6.955 ( -0.046 0.122 0.000) 0.130 7.283 ( -0.943 0.493 0.000) 1.064 8.092 ( -28.491 -33.260 0.000) 43.795 12.716 ( 2.193 1.577 0.000) 2.701 13.009 ( -0.832 -1.670 0.000) 1.866 13.358 ( -0.613 0.421 0.000) 0.744 13.655 ( -0.879 0.611 0.000) 1.071 17.381 ( 0.557 1.687 0.000) 1.777 17.436 ( 6.537 7.646 0.000) 10.060 17.753 ( 0.203 -0.188 0.000) 0.277 18.163 ( -6.789 -6.070 0.000) 9.107 18.191 ( -0.654 -0.058 0.000) 0.657 18.276 ( -3.992 -12.146 0.000) 12.786 28.368 ( -1.998 -2.313 0.000) 3.057 28.383 ( -0.321 -0.726 0.000) 0.794 30.810 ( 6.732 -0.871 0.000) 6.788 32.108 ( 36.326 59.258 0.000) 69.506 32.528 ( -0.915 -2.660 0.000) 2.813 32.699 ( 3.284 -0.621 0.000) 3.342 34.229 ( -32.839 -51.708 0.000) 61.255 34.462 ( -4.835 1.327 0.000) 5.014 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 15.588 -4.509 0.000) 16.227 1.118 ( 10.180 -26.487 0.000) 28.375 1.514 ( -3.803 -2.456 0.000) 4.527 1.730 ( 38.348 -4.015 0.000) 38.557 2.135 ( 15.158 -5.080 0.000) 15.987 2.456 ( 21.353 0.336 0.000) 21.355 3.327 ( 11.600 3.984 0.000) 12.265 3.449 ( 0.643 -5.914 0.000) 5.949 3.691 ( 3.836 9.046 0.000) 9.826 3.868 ( 3.788 6.692 0.000) 7.690 4.072 ( 14.366 0.324 0.000) 14.369 4.252 ( -16.944 17.478 0.000) 24.343 4.438 ( -4.991 -3.088 0.000) 5.869 4.926 ( -10.459 -13.828 0.000) 17.338 5.066 ( 0.186 12.167 0.000) 12.169 5.352 ( 8.220 13.416 0.000) 15.733 5.520 ( 1.431 -6.097 0.000) 6.262 5.969 ( -1.804 -2.520 0.000) 3.099 6.580 ( 2.639 -2.178 0.000) 3.421 6.648 ( 10.006 16.079 0.000) 18.938 6.773 ( -3.056 -1.966 0.000) 3.633 6.956 ( 0.252 -0.147 0.000) 0.292 7.255 ( -1.600 0.803 0.000) 1.790 7.918 ( -21.464 -12.544 0.000) 24.860 12.741 ( 3.596 2.835 0.000) 4.579 13.014 ( -1.457 -2.925 0.000) 3.268 13.338 ( -0.990 0.699 0.000) 1.212 13.627 ( -1.437 1.061 0.000) 1.786 17.374 ( 0.462 1.105 0.000) 1.197 17.474 ( 3.849 1.678 0.000) 4.199 17.760 ( 0.337 -0.290 0.000) 0.445 18.122 ( -3.587 -2.369 0.000) 4.299 18.177 ( -1.062 -0.111 0.000) 1.068 18.331 ( -1.368 -7.237 0.000) 7.365 28.357 ( -1.111 -0.483 0.000) 1.212 28.385 ( -0.648 -1.173 0.000) 1.340 30.972 ( 11.203 -1.435 0.000) 11.294 32.087 ( 15.339 27.077 0.000) 31.120 32.544 ( -1.504 -4.245 0.000) 4.504 32.788 ( 6.467 -1.266 0.000) 6.590 34.221 ( -15.138 -23.047 0.000) 27.574 34.329 ( -8.992 2.397 0.000) 9.306 ======================= Grid point 3 (4/144) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 6.163 9.118 0.000) 11.005 1.474 ( 8.072 -15.266 0.000) 17.268 1.671 ( 7.550 -10.606 0.000) 13.019 2.134 ( 16.681 1.056 0.000) 16.714 2.651 ( 24.860 -18.196 0.000) 30.807 2.805 ( 18.292 -2.837 0.000) 18.511 3.296 ( -6.056 -2.095 0.000) 6.408 3.659 ( 5.246 10.006 0.000) 11.297 3.705 ( 15.810 -2.623 0.000) 16.026 3.798 ( -14.313 17.105 0.000) 22.304 3.883 ( 3.715 0.857 0.000) 3.812 4.253 ( 6.969 5.474 0.000) 8.862 4.434 ( 0.690 -8.551 0.000) 8.579 4.898 ( -10.386 -14.200 0.000) 17.593 4.949 ( 1.704 13.261 0.000) 13.370 5.328 ( 5.961 14.526 0.000) 15.701 5.612 ( 4.342 -3.267 0.000) 5.434 5.900 ( -5.838 2.541 0.000) 6.367 6.603 ( -0.320 8.489 0.000) 8.495 6.670 ( 3.900 -3.968 0.000) 5.564 6.761 ( -0.899 -1.563 0.000) 1.803 6.968 ( 0.779 -0.566 0.000) 0.963 7.217 ( -1.974 0.912 0.000) 2.175 7.673 ( -18.771 -4.788 0.000) 19.372 12.771 ( 3.811 3.302 0.000) 5.042 13.020 ( -1.685 -3.314 0.000) 3.718 13.314 ( -1.007 0.735 0.000) 1.247 13.591 ( -1.593 1.095 0.000) 1.933 17.374 ( 0.586 0.480 0.000) 0.757 17.523 ( 3.101 -0.103 0.000) 3.103 17.768 ( 0.362 -0.278 0.000) 0.457 18.096 ( -2.151 -1.565 0.000) 2.661 18.161 ( -1.101 -0.140 0.000) 1.110 18.376 ( -0.715 -4.777 0.000) 4.830 28.344 ( -0.644 0.206 0.000) 0.676 28.386 ( -0.840 -1.231 0.000) 1.490 31.182 ( 12.313 -1.598 0.000) 12.416 32.054 ( 7.068 14.981 0.000) 16.564 32.563 ( -1.595 -4.356 0.000) 4.639 32.933 ( 9.386 -1.924 0.000) 9.581 34.130 ( -12.018 3.073 0.000) 12.405 34.208 ( -8.595 -12.366 0.000) 15.060 ======================= Grid point 4 (5/144) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 13.170 7.396 0.000) 15.105 1.704 ( 6.259 -7.442 0.000) 9.724 1.815 ( -1.476 -6.309 0.000) 6.479 2.367 ( 9.432 -5.457 0.000) 10.897 3.049 ( 8.713 -2.037 0.000) 8.948 3.088 ( 11.066 -4.729 0.000) 12.034 3.224 ( -4.629 1.413 0.000) 4.840 3.416 ( -11.367 8.041 0.000) 13.924 3.724 ( 12.606 2.512 0.000) 12.854 3.948 ( -0.183 -4.246 0.000) 4.250 4.029 ( 16.584 -3.706 0.000) 16.993 4.273 ( 6.078 3.846 0.000) 7.193 4.553 ( 1.424 -5.727 0.000) 5.901 4.864 ( 3.327 10.983 0.000) 11.476 4.882 ( -8.622 -13.161 0.000) 15.734 5.237 ( 1.746 15.759 0.000) 15.856 5.738 ( 8.674 -1.462 0.000) 8.796 5.769 ( -5.512 3.062 0.000) 6.305 6.462 ( -8.937 4.777 0.000) 10.133 6.761 ( -0.517 -0.441 0.000) 0.680 6.766 ( 3.079 -3.185 0.000) 4.430 6.992 ( 1.286 -0.794 0.000) 1.511 7.174 ( -2.106 0.891 0.000) 2.287 7.442 ( -12.628 -1.467 0.000) 12.712 12.795 ( 2.872 2.650 0.000) 3.908 13.026 ( -1.381 -2.603 0.000) 2.947 13.293 ( -0.709 0.534 0.000) 0.888 13.557 ( -1.256 0.796 0.000) 1.487 17.382 ( 0.624 0.107 0.000) 0.633 17.570 ( 2.184 -0.497 0.000) 2.240 17.776 ( 0.275 -0.185 0.000) 0.331 18.083 ( -1.135 -1.107 0.000) 1.585 18.146 ( -0.804 -0.121 0.000) 0.813 18.405 ( -0.467 -2.762 0.000) 2.801 28.333 ( -0.296 0.365 0.000) 0.470 28.384 ( -0.739 -0.915 0.000) 1.176 31.383 ( 10.006 -1.428 0.000) 10.107 32.012 ( 2.258 8.003 0.000) 8.315 32.579 ( -1.195 -3.181 0.000) 3.398 33.128 ( 11.795 -2.531 0.000) 12.064 33.887 ( -13.727 3.353 0.000) 14.131 34.195 ( -4.645 -6.264 0.000) 7.798 ======================= Grid point 5 (6/144) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 10.279 3.245 0.000) 10.779 1.779 ( -5.978 -2.580 0.000) 6.512 1.825 ( 2.408 -2.296 0.000) 3.327 2.528 ( 3.641 -3.698 0.000) 5.190 3.089 ( -4.016 4.373 0.000) 5.938 3.118 ( -0.665 -1.075 0.000) 1.264 3.188 ( 4.084 2.891 0.000) 5.003 3.311 ( -1.260 -0.800 0.000) 1.492 3.873 ( 2.129 2.036 0.000) 2.946 4.048 ( 8.032 -11.013 0.000) 13.631 4.275 ( -3.120 7.764 0.000) 8.368 4.282 ( 8.165 -3.092 0.000) 8.731 4.657 ( 4.995 -7.702 0.000) 9.180 4.804 ( -0.541 8.096 0.000) 8.114 4.891 ( -4.323 -8.990 0.000) 9.975 5.088 ( -0.798 11.587 0.000) 11.614 5.686 ( -1.899 1.116 0.000) 2.203 5.932 ( 12.842 -1.608 0.000) 12.943 6.226 ( -13.908 3.060 0.000) 14.241 6.755 ( -0.286 -0.013 0.000) 0.286 6.824 ( 1.123 -1.158 0.000) 1.613 7.021 ( 1.028 -0.534 0.000) 1.158 7.136 ( -1.305 0.535 0.000) 1.410 7.316 ( -4.029 -0.347 0.000) 4.044 12.808 ( 1.070 1.015 0.000) 1.475 13.028 ( -0.543 -0.986 0.000) 1.125 13.282 ( -0.249 0.191 0.000) 0.314 13.537 ( -0.480 0.290 0.000) 0.561 17.389 ( 0.282 -0.004 0.000) 0.282 17.599 ( 0.793 -0.227 0.000) 0.825 17.780 ( 0.102 -0.063 0.000) 0.120 18.079 ( -0.342 -0.424 0.000) 0.545 18.138 ( -0.292 -0.048 0.000) 0.296 18.418 ( -0.182 -0.902 0.000) 0.920 28.327 ( -0.076 0.167 0.000) 0.184 28.381 ( -0.299 -0.338 0.000) 0.451 31.514 ( 4.156 -0.699 0.000) 4.214 31.973 ( 0.067 2.676 0.000) 2.677 32.588 ( -0.442 -1.159 0.000) 1.240 33.360 ( 13.137 -2.941 0.000) 13.462 33.627 ( -13.840 3.236 0.000) 14.213 34.187 ( -1.489 -1.921 0.000) 2.430 ======================= Grid point 12 (7/144) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 21.889 -0.000 0.000) 21.889 0.978 ( 27.702 -0.000 0.000) 27.702 1.509 ( -9.525 0.000 0.000) 9.525 1.654 ( 47.022 -0.000 0.000) 47.022 2.181 ( 7.958 -0.000 0.000) 7.958 2.473 ( 14.414 -0.000 0.000) 14.414 3.364 ( -8.704 0.000 0.000) 8.704 3.390 ( 19.876 -0.000 0.000) 19.876 3.810 ( 3.700 -0.000 0.000) 3.700 3.928 ( 8.106 -0.000 0.000) 8.106 4.094 ( 1.222 -0.000 0.000) 1.222 4.411 ( -4.272 0.000 0.000) 4.272 4.589 ( -14.916 0.000 0.000) 14.916 4.626 ( -13.271 0.000 0.000) 13.271 5.256 ( 1.626 -0.000 0.000) 1.626 5.393 ( 3.290 -0.000 0.000) 3.290 5.517 ( 6.232 -0.000 0.000) 6.232 5.914 ( 1.733 -0.000 0.000) 1.733 6.561 ( 1.497 -0.000 0.000) 1.497 6.744 ( -3.780 0.000 0.000) 3.780 6.955 ( 0.098 -0.000 0.000) 0.098 7.007 ( 0.416 -0.000 0.000) 0.416 7.264 ( -1.696 0.000 0.000) 1.696 7.596 ( -12.604 0.000 0.000) 12.604 12.775 ( 3.941 -0.000 0.000) 3.941 12.979 ( -1.735 0.000 0.000) 1.735 13.357 ( -0.521 0.000 0.000) 0.521 13.639 ( -1.523 0.000 0.000) 1.523 17.386 ( 0.196 -0.000 0.000) 0.196 17.512 ( 0.026 -0.000 0.000) 0.026 17.757 ( 0.462 -0.000 0.000) 0.462 18.067 ( -0.278 0.000 0.000) 0.278 18.175 ( -1.165 0.000 0.000) 1.165 18.237 ( 1.163 -0.000 0.000) 1.163 28.349 ( -0.153 0.000 0.000) 0.153 28.373 ( -0.565 0.000 0.000) 0.565 30.956 ( 11.393 -0.000 0.000) 11.393 32.417 ( -5.843 0.000 0.000) 5.843 32.688 ( 0.641 -0.000 0.000) 0.641 32.775 ( 6.407 -0.000 0.000) 6.407 33.760 ( 2.308 -0.000 0.000) 2.308 34.355 ( -9.091 0.000 0.000) 9.091 ======================= Grid point 13 (8/144) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 18.847 -13.795 0.000) 23.356 1.320 ( 11.393 7.830 0.000) 13.825 1.482 ( 8.409 -7.830 0.000) 11.490 2.256 ( 13.691 8.233 0.000) 15.976 2.402 ( 33.469 -6.584 0.000) 34.110 2.736 ( 15.505 -3.403 0.000) 15.874 3.224 ( -9.394 -2.768 0.000) 9.793 3.694 ( 16.444 0.288 0.000) 16.447 3.797 ( -1.585 2.595 0.000) 3.040 3.971 ( 2.084 7.026 0.000) 7.329 4.179 ( -14.087 19.297 0.000) 23.892 4.238 ( 10.666 -6.397 0.000) 12.437 4.350 ( -2.726 0.522 0.000) 2.776 4.564 ( -13.076 -17.978 0.000) 22.230 5.222 ( 2.784 11.221 0.000) 11.561 5.506 ( 4.920 -6.182 0.000) 7.900 5.562 ( 4.431 7.046 0.000) 8.323 5.913 ( -3.547 -0.626 0.000) 3.602 6.609 ( 3.508 -1.700 0.000) 3.898 6.688 ( -4.280 -1.570 0.000) 4.559 6.905 ( 0.993 15.945 0.000) 15.976 6.962 ( 0.674 -0.119 0.000) 0.684 7.230 ( -2.141 0.343 0.000) 2.168 7.454 ( -17.614 -14.735 0.000) 22.965 12.833 ( 4.313 2.417 0.000) 4.944 12.958 ( -2.090 -2.412 0.000) 3.191 13.340 ( -0.651 1.184 0.000) 1.351 13.608 ( -1.814 0.487 0.000) 1.878 17.389 ( 0.578 0.723 0.000) 0.925 17.517 ( 0.847 -0.397 0.000) 0.935 17.767 ( 0.688 0.015 0.000) 0.688 18.070 ( -0.479 -0.818 0.000) 0.948 18.155 ( -1.368 -0.224 0.000) 1.386 18.278 ( 1.167 -3.493 0.000) 3.683 28.347 ( -0.120 0.142 0.000) 0.186 28.365 ( -0.711 -0.639 0.000) 0.956 31.160 ( 12.763 -0.568 0.000) 12.775 32.294 ( -5.945 4.156 0.000) 7.254 32.635 ( 4.307 11.066 0.000) 11.875 32.906 ( 9.243 -0.714 0.000) 9.271 33.886 ( -1.185 -15.074 0.000) 15.120 34.174 ( -12.244 1.171 0.000) 12.300 ======================= Grid point 14 (9/144) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 11.682 8.437 0.000) 14.410 1.541 ( 15.695 -9.933 0.000) 18.574 1.699 ( 4.482 -4.812 0.000) 6.576 2.343 ( 8.078 4.506 0.000) 9.250 2.963 ( 23.613 -4.618 0.000) 24.061 2.986 ( 9.071 -4.502 0.000) 10.127 3.146 ( -4.989 -5.566 0.000) 7.475 3.667 ( -14.093 13.164 0.000) 19.285 3.784 ( 3.612 -0.044 0.000) 3.612 3.912 ( -2.718 2.130 0.000) 3.453 4.025 ( 12.966 3.067 0.000) 13.323 4.317 ( 0.285 1.105 0.000) 1.141 4.463 ( 9.019 -3.634 0.000) 9.724 4.563 ( -8.739 -16.736 0.000) 18.881 5.135 ( 2.465 14.100 0.000) 14.314 5.525 ( 1.910 10.831 0.000) 10.998 5.663 ( 7.246 -5.586 0.000) 9.150 5.811 ( -7.510 1.187 0.000) 7.603 6.596 ( -7.164 5.349 0.000) 8.940 6.700 ( 4.234 -2.969 0.000) 5.171 6.778 ( -1.285 5.450 0.000) 5.600 6.981 ( 1.484 -0.304 0.000) 1.515 7.189 ( -2.376 0.512 0.000) 2.431 7.320 ( -14.004 -10.613 0.000) 17.571 12.851 ( 1.077 2.759 0.000) 2.962 12.971 ( 0.466 -2.699 0.000) 2.739 13.316 ( -0.528 1.417 0.000) 1.512 13.574 ( -1.565 0.697 0.000) 1.713 17.392 ( 0.777 0.872 0.000) 1.168 17.545 ( 0.970 -1.812 0.000) 2.056 17.778 ( 0.798 0.237 0.000) 0.833 18.071 ( 0.185 -0.073 0.000) 0.199 18.138 ( -1.234 -0.541 0.000) 1.347 18.333 ( 0.919 -3.688 0.000) 3.801 28.341 ( -0.295 0.400 0.000) 0.496 28.364 ( -0.383 -0.894 0.000) 0.973 31.360 ( 10.597 -0.749 0.000) 10.624 32.158 ( -5.098 4.573 0.000) 6.848 32.621 ( 5.224 7.480 0.000) 9.123 33.086 ( 11.595 -1.488 0.000) 11.690 33.943 ( -14.056 2.034 0.000) 14.203 33.996 ( -1.970 -11.988 0.000) 12.149 ======================= Grid point 15 (10/144) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 8.378 8.268 0.000) 11.771 1.728 ( -1.122 -2.360 0.000) 2.613 1.826 ( 12.548 -0.479 0.000) 12.557 2.442 ( 5.831 -1.783 0.000) 6.098 3.055 ( -3.417 -3.724 0.000) 5.054 3.141 ( -4.220 -2.602 0.000) 4.958 3.240 ( 7.356 1.550 0.000) 7.517 3.347 ( -6.993 8.245 0.000) 10.811 3.858 ( -5.463 -4.196 0.000) 6.888 3.927 ( 11.901 -1.188 0.000) 11.960 4.220 ( 8.358 -5.045 0.000) 9.763 4.348 ( 1.756 -2.110 0.000) 2.745 4.586 ( 5.828 1.773 0.000) 6.091 4.612 ( -4.274 -12.240 0.000) 12.965 5.009 ( -1.661 12.430 0.000) 12.541 5.394 ( -2.064 13.727 0.000) 13.881 5.695 ( -5.210 -0.166 0.000) 5.212 5.853 ( 8.175 -6.233 0.000) 10.280 6.356 ( -10.448 9.722 0.000) 14.272 6.750 ( -0.439 -0.700 0.000) 0.826 6.788 ( 2.968 -2.190 0.000) 3.688 7.014 ( 2.065 -0.163 0.000) 2.072 7.146 ( -2.214 0.373 0.000) 2.245 7.239 ( -6.594 -6.961 0.000) 9.588 12.825 ( -1.774 0.597 0.000) 1.871 13.013 ( 2.289 -0.518 0.000) 2.347 13.297 ( -0.131 1.174 0.000) 1.181 13.547 ( -0.807 0.610 0.000) 1.012 17.395 ( 0.533 0.636 0.000) 0.830 17.575 ( 0.155 -1.974 0.000) 1.981 17.786 ( 0.750 0.560 0.000) 0.936 18.079 ( 1.026 0.388 0.000) 1.097 18.128 ( -0.831 -0.830 0.000) 1.175 18.380 ( 0.878 -2.575 0.000) 2.721 28.332 ( -0.361 0.262 0.000) 0.446 28.370 ( 0.170 -0.657 0.000) 0.679 31.499 ( 5.131 -0.653 0.000) 5.172 32.039 ( -4.743 3.051 0.000) 5.639 32.643 ( 6.059 6.462 0.000) 8.858 33.307 ( 13.134 -2.216 0.000) 13.320 33.687 ( -14.454 2.519 0.000) 14.672 34.075 ( -0.850 -8.504 0.000) 8.546 ======================= Grid point 16 (11/144) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -12.140 3.606 0.000) 12.664 1.833 ( 11.394 2.874 0.000) 11.751 1.950 ( 7.947 8.441 0.000) 11.594 2.539 ( 1.740 -2.046 0.000) 2.686 3.008 ( -7.765 -7.968 0.000) 11.126 3.043 ( -4.489 -0.369 0.000) 4.504 3.231 ( -2.395 4.640 0.000) 5.222 3.303 ( 1.501 -0.670 0.000) 1.644 3.808 ( -6.163 -4.490 0.000) 7.625 4.134 ( 8.175 -3.781 0.000) 9.007 4.308 ( -3.769 8.548 0.000) 9.342 4.346 ( 0.207 -0.136 0.000) 0.248 4.663 ( -4.442 -14.204 0.000) 14.882 4.671 ( 4.335 -1.301 0.000) 4.526 4.826 ( -7.351 7.650 0.000) 10.610 5.241 ( 1.461 12.119 0.000) 12.207 5.651 ( -1.775 -2.150 0.000) 2.788 5.930 ( -10.253 -2.704 0.000) 10.604 6.223 ( 9.089 3.851 0.000) 9.871 6.756 ( 0.426 -0.180 0.000) 0.462 6.832 ( 0.903 -0.254 0.000) 0.938 7.035 ( 0.380 0.897 0.000) 0.974 7.125 ( 0.106 -0.603 0.000) 0.613 7.256 ( 0.893 -5.849 0.000) 5.917 12.787 ( -3.207 -1.058 0.000) 3.377 13.051 ( 2.662 1.103 0.000) 2.881 13.289 ( 0.491 0.844 0.000) 0.976 13.538 ( 0.211 0.314 0.000) 0.379 17.394 ( -0.069 0.437 0.000) 0.443 17.585 ( -1.194 -1.472 0.000) 1.896 17.790 ( 0.569 0.839 0.000) 1.014 18.094 ( 1.604 0.943 0.000) 1.861 18.128 ( -0.280 -0.980 0.000) 1.020 18.414 ( 0.979 -1.172 0.000) 1.527 28.326 ( -0.136 0.047 0.000) 0.144 28.382 ( 0.714 -0.238 0.000) 0.752 31.523 ( -2.763 0.164 0.000) 2.767 31.949 ( -4.277 0.187 0.000) 4.281 32.679 ( 7.005 7.454 0.000) 10.229 33.420 ( -12.705 2.750 0.000) 13.000 33.562 ( 12.753 -2.919 0.000) 13.082 34.149 ( 1.442 -5.380 0.000) 5.570 ======================= Grid point 17 (12/144) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -13.638 0.333 0.000) 13.642 1.924 ( 3.267 14.005 0.000) 14.381 1.946 ( 6.936 6.492 0.000) 9.500 2.472 ( -9.168 3.925 0.000) 9.973 2.984 ( -10.543 -9.842 0.000) 14.422 3.072 ( 1.655 -9.110 0.000) 9.259 3.134 ( -1.515 2.435 0.000) 2.868 3.359 ( 4.973 -1.155 0.000) 5.105 3.725 ( -10.439 -1.350 0.000) 10.526 4.088 ( -5.218 10.082 0.000) 11.352 4.176 ( -12.291 9.668 0.000) 15.638 4.207 ( -7.319 -0.755 0.000) 7.358 4.645 ( -1.545 0.895 0.000) 1.786 4.745 ( -0.661 1.270 0.000) 1.432 4.791 ( -2.392 -18.912 0.000) 19.063 5.204 ( 6.489 9.844 0.000) 11.791 5.686 ( 1.721 -5.045 0.000) 5.331 5.745 ( -10.053 0.072 0.000) 10.054 6.398 ( 8.636 -2.390 0.000) 8.961 6.765 ( 0.703 0.190 0.000) 0.728 6.821 ( -1.156 2.095 0.000) 2.393 7.013 ( -1.098 1.233 0.000) 1.652 7.155 ( 2.004 -0.916 0.000) 2.204 7.396 ( 9.421 -5.437 0.000) 10.877 12.745 ( -3.925 -2.209 0.000) 4.504 13.075 ( 2.492 2.230 0.000) 3.344 13.296 ( 1.293 0.674 0.000) 1.458 13.547 ( 1.081 -0.091 0.000) 1.084 17.384 ( -0.649 0.259 0.000) 0.698 17.566 ( -2.563 -0.805 0.000) 2.687 17.788 ( 0.332 0.992 0.000) 1.046 18.111 ( 1.946 1.460 0.000) 2.433 18.138 ( 0.274 -0.955 0.000) 0.993 18.435 ( 1.047 0.247 0.000) 1.075 28.328 ( 0.345 -0.119 0.000) 0.365 28.397 ( 1.091 0.322 0.000) 1.138 31.414 ( -9.193 1.393 0.000) 9.298 31.890 ( -5.657 -3.641 0.000) 6.727 32.712 ( 7.312 9.221 0.000) 11.769 33.184 ( -12.089 2.802 0.000) 12.409 33.814 ( 13.366 -3.562 0.000) 13.832 34.236 ( 4.639 -2.131 0.000) 5.104 ======================= Grid point 18 (13/144) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -4.379 -3.946 0.000) 5.894 1.785 ( -0.339 17.207 0.000) 17.210 1.897 ( -2.030 11.179 0.000) 11.362 2.189 ( -20.023 4.573 0.000) 20.538 2.783 ( -19.412 -2.225 0.000) 19.539 3.086 ( -3.772 14.497 0.000) 14.979 3.209 ( -0.617 -10.910 0.000) 10.928 3.503 ( -10.700 -0.974 0.000) 10.745 3.538 ( 13.131 -7.624 0.000) 15.184 3.848 ( -12.808 11.006 0.000) 16.887 3.901 ( -11.317 2.091 0.000) 11.509 4.101 ( -7.476 -7.523 0.000) 10.606 4.624 ( 0.453 9.446 0.000) 9.456 4.738 ( 0.241 -6.598 0.000) 6.602 4.921 ( -4.702 -16.946 0.000) 17.586 5.215 ( 6.154 8.892 0.000) 10.814 5.632 ( -4.723 -0.732 0.000) 4.780 5.803 ( 4.636 -6.886 0.000) 8.301 6.501 ( 0.320 -3.099 0.000) 3.116 6.756 ( -2.653 4.241 0.000) 5.003 6.777 ( 0.848 0.001 0.000) 0.848 6.985 ( -0.822 1.086 0.000) 1.362 7.197 ( 1.887 -0.932 0.000) 2.105 7.661 ( 16.025 -4.894 0.000) 16.756 12.706 ( -4.015 -2.934 0.000) 4.973 13.086 ( 2.037 3.003 0.000) 3.629 13.317 ( 2.177 0.818 0.000) 2.326 13.572 ( 1.471 -0.549 0.000) 1.570 17.369 ( -1.082 -0.135 0.000) 1.091 17.521 ( -3.497 -0.224 0.000) 3.504 17.781 ( 0.113 1.020 0.000) 1.027 18.129 ( 2.306 1.607 0.000) 2.811 18.155 ( 0.678 -0.791 0.000) 1.042 18.443 ( 1.103 1.657 0.000) 1.990 28.340 ( 0.999 -0.132 0.000) 1.008 28.409 ( 1.162 0.944 0.000) 1.497 31.221 ( -11.834 2.015 0.000) 12.004 31.824 ( -9.671 -7.268 0.000) 12.098 32.724 ( 6.545 10.610 0.000) 12.466 32.980 ( -9.640 2.538 0.000) 9.968 34.057 ( 11.691 -3.879 0.000) 12.317 34.345 ( 8.573 1.447 0.000) 8.694 ======================= Grid point 19 (14/144) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 4.709 -2.912 0.000) 5.537 1.556 ( -8.513 18.771 0.000) 20.611 1.686 ( -5.805 13.565 0.000) 14.755 1.747 ( -27.091 2.100 0.000) 27.172 2.462 ( -19.292 1.224 0.000) 19.331 2.624 ( -16.928 34.198 0.000) 38.158 3.200 ( -13.709 -8.538 0.000) 16.150 3.500 ( -0.708 -8.894 0.000) 8.922 3.616 ( -0.352 10.142 0.000) 10.148 3.745 ( -9.280 -4.741 0.000) 10.420 3.918 ( 17.525 -14.687 0.000) 22.866 4.017 ( -13.108 -5.850 0.000) 14.355 4.553 ( 3.630 8.170 0.000) 8.940 4.840 ( 1.929 -8.966 0.000) 9.171 4.982 ( -8.080 -15.957 0.000) 17.886 5.218 ( 5.235 8.628 0.000) 10.092 5.587 ( -1.479 0.689 0.000) 1.631 5.946 ( 4.418 -5.177 0.000) 6.806 6.476 ( -7.158 -3.210 0.000) 7.845 6.658 ( -3.066 5.263 0.000) 6.091 6.794 ( 1.203 -0.179 0.000) 1.216 6.965 ( -0.454 0.793 0.000) 0.914 7.234 ( 1.430 -1.108 0.000) 1.809 7.985 ( 17.881 -3.776 0.000) 18.276 12.677 ( -3.401 -3.224 0.000) 4.686 13.081 ( 1.427 3.402 0.000) 3.689 13.348 ( 2.886 1.359 0.000) 3.190 13.603 ( 1.318 -1.014 0.000) 1.663 17.351 ( -2.050 -1.048 0.000) 2.302 17.463 ( -3.367 0.316 0.000) 3.382 17.772 ( -0.039 0.942 0.000) 0.943 18.155 ( 2.737 1.217 0.000) 2.996 18.174 ( 0.795 -0.549 0.000) 0.966 18.440 ( 1.629 2.986 0.000) 3.402 28.362 ( 1.736 0.070 0.000) 1.737 28.414 ( 0.912 1.453 0.000) 1.716 31.010 ( -11.022 2.150 0.000) 11.230 31.714 ( -15.305 -10.295 0.000) 18.445 32.706 ( 4.765 10.858 0.000) 11.857 32.824 ( -6.633 2.137 0.000) 6.968 34.264 ( 8.753 -3.878 0.000) 9.574 34.489 ( 13.366 4.852 0.000) 14.219 ======================= Grid point 20 (15/144) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -35.500 11.994 0.000) 37.471 0.995 ( -5.725 19.404 0.000) 20.231 1.414 ( -11.589 10.751 0.000) 15.809 1.608 ( 5.934 -1.598 0.000) 6.145 1.922 ( -24.862 34.715 0.000) 42.700 2.194 ( -9.670 5.511 0.000) 11.131 3.011 ( -14.674 -5.343 0.000) 15.617 3.581 ( 3.677 6.383 0.000) 7.366 3.583 ( 0.064 -6.610 0.000) 6.611 3.668 ( -8.098 -6.684 0.000) 10.500 3.835 ( -11.750 -1.453 0.000) 11.840 4.349 ( 14.998 -15.261 0.000) 21.397 4.549 ( 3.054 5.211 0.000) 6.040 4.982 ( 3.059 -10.567 0.000) 11.001 5.003 ( -9.096 -17.203 0.000) 19.460 5.204 ( 3.654 8.916 0.000) 9.636 5.564 ( 0.854 2.307 0.000) 2.460 6.020 ( 1.593 1.242 0.000) 2.020 6.337 ( -13.027 -1.787 0.000) 13.149 6.569 ( -1.795 3.337 0.000) 3.789 6.816 ( 1.136 -0.190 0.000) 1.152 6.955 ( -0.135 0.277 0.000) 0.308 7.265 ( 0.831 -1.195 0.000) 1.456 8.302 ( 16.431 -3.467 0.000) 16.793 12.665 ( -2.017 -3.079 0.000) 3.681 13.064 ( 0.743 3.335 0.000) 3.417 13.378 ( 2.848 2.059 0.000) 3.514 13.633 ( 0.766 -1.339 0.000) 1.542 17.316 ( -4.394 -2.059 0.000) 4.852 17.416 ( -1.402 1.027 0.000) 1.738 17.762 ( -0.085 0.758 0.000) 0.762 18.190 ( 0.550 -0.282 0.000) 0.618 18.191 ( 2.506 0.306 0.000) 2.524 18.446 ( 3.672 3.404 0.000) 5.007 28.394 ( 2.439 0.287 0.000) 2.456 28.409 ( 0.470 1.643 0.000) 1.709 30.840 ( -6.944 1.857 0.000) 7.188 31.522 ( -21.499 -9.779 0.000) 23.619 32.659 ( 2.376 9.608 0.000) 9.897 32.723 ( -3.350 1.666 0.000) 3.742 34.412 ( 4.731 -3.449 0.000) 5.855 34.690 ( 18.223 5.345 0.000) 18.990 ======================= Grid point 21 (16/144) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( -0.000 18.033 0.000) 18.033 0.643 ( -0.000 30.492 0.000) 30.492 1.084 ( -0.000 12.310 0.000) 12.310 1.160 ( -0.000 56.032 0.000) 56.032 1.731 ( 0.000 -5.388 0.000) 5.388 2.066 ( -0.000 3.978 0.000) 3.978 2.922 ( 0.000 -3.365 0.000) 3.365 3.561 ( -0.000 4.223 0.000) 4.223 3.575 ( 0.000 -2.725 0.000) 2.725 3.678 ( 0.000 -1.750 0.000) 1.750 3.731 ( 0.000 -1.855 0.000) 1.855 4.530 ( -0.000 3.576 0.000) 3.576 4.633 ( 0.000 -13.273 0.000) 13.273 5.101 ( 0.000 -18.534 0.000) 18.534 5.122 ( 0.000 -9.620 0.000) 9.620 5.137 ( -0.000 10.534 0.000) 10.534 5.576 ( -0.000 0.223 0.000) 0.223 5.977 ( -0.000 7.850 0.000) 7.850 6.148 ( -0.000 5.274 0.000) 5.274 6.540 ( -0.000 0.276 0.000) 0.276 6.827 ( -0.000 0.301 0.000) 0.301 6.954 ( 0.000 -0.125 0.000) 0.125 7.283 ( 0.000 -0.974 0.000) 0.974 8.540 ( 0.000 -7.243 0.000) 7.243 12.676 ( 0.000 -2.538 0.000) 2.538 13.038 ( -0.000 2.756 0.000) 2.756 13.386 ( -0.000 1.922 0.000) 1.922 13.653 ( 0.000 -1.279 0.000) 1.279 17.272 ( 0.000 -0.361 0.000) 0.361 17.396 ( -0.000 0.927 0.000) 0.927 17.754 ( -0.000 0.481 0.000) 0.481 18.196 ( 0.000 -0.054 0.000) 0.054 18.215 ( 0.000 -0.197 0.000) 0.197 18.487 ( 0.000 -0.075 0.000) 0.075 28.397 ( -0.000 1.367 0.000) 1.367 28.427 ( 0.000 -0.487 0.000) 0.487 30.763 ( -0.000 1.298 0.000) 1.298 31.292 ( -0.000 1.428 0.000) 1.428 32.592 ( -0.000 6.914 0.000) 6.914 32.682 ( -0.000 1.164 0.000) 1.164 34.481 ( 0.000 -2.560 0.000) 2.560 34.905 ( 0.000 -2.741 0.000) 2.741 ======================= Grid point 24 (17/144) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 20.919 -0.000 0.000) 20.919 1.491 ( 8.969 -0.000 0.000) 8.969 1.639 ( 9.326 -0.000 0.000) 9.326 2.436 ( 6.783 -0.000 0.000) 6.783 2.910 ( 22.880 -0.000 0.000) 22.880 2.925 ( 14.812 -0.000 0.000) 14.812 3.079 ( -5.482 0.000 0.000) 5.482 3.767 ( 0.247 -0.000 0.000) 0.247 3.823 ( -2.984 0.000 0.000) 2.984 3.953 ( -8.423 0.000 0.000) 8.423 4.140 ( -15.303 0.000 0.000) 15.303 4.292 ( 6.371 -0.000 0.000) 6.371 4.347 ( -0.081 0.000 0.000) 0.081 4.402 ( 13.641 -0.000 0.000) 13.641 5.325 ( 1.527 -0.000 0.000) 1.527 5.570 ( 7.314 -0.000 0.000) 7.314 5.641 ( 1.308 -0.000 0.000) 1.308 5.822 ( -7.748 0.000 0.000) 7.748 6.620 ( -2.880 0.000 0.000) 2.880 6.665 ( 4.597 -0.000 0.000) 4.597 6.978 ( 1.543 -0.000 0.000) 1.543 7.015 ( -0.099 0.000 0.000) 0.099 7.054 ( -19.117 0.000 0.000) 19.117 7.194 ( -2.488 0.000 0.000) 2.488 12.895 ( -3.431 0.000 0.000) 3.431 12.928 ( 4.995 -0.000 0.000) 4.995 13.334 ( -0.753 0.000 0.000) 0.753 13.582 ( -1.695 0.000 0.000) 1.695 17.406 ( 0.911 -0.000 0.000) 0.911 17.519 ( 0.280 -0.000 0.000) 0.280 17.781 ( 1.023 -0.000 0.000) 1.023 18.073 ( 0.851 -0.000 0.000) 0.851 18.131 ( -1.415 0.000 0.000) 1.415 18.288 ( 1.974 -0.000 0.000) 1.974 28.349 ( -0.782 0.000 0.000) 0.782 28.350 ( 0.255 -0.000 0.000) 0.255 31.353 ( 10.815 -0.000 0.000) 10.815 32.196 ( -7.099 0.000 0.000) 7.099 32.749 ( 3.784 -0.000 0.000) 3.784 33.071 ( 11.524 -0.000 0.000) 11.524 33.833 ( 1.892 -0.000 0.000) 1.892 33.964 ( -14.189 0.000 0.000) 14.189 ======================= Grid point 25 (18/144) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 2.344 4.373 0.000) 4.961 1.692 ( 6.471 -0.873 0.000) 6.529 1.755 ( 18.599 -4.107 0.000) 19.047 2.502 ( 5.001 4.635 0.000) 6.819 2.986 ( -3.850 -2.430 0.000) 4.553 3.056 ( -0.842 -3.226 0.000) 3.334 3.263 ( 14.831 0.662 0.000) 14.846 3.598 ( -10.918 13.624 0.000) 17.459 3.786 ( -11.357 -2.101 0.000) 11.550 3.891 ( 12.968 -1.953 0.000) 13.115 4.008 ( -8.126 -13.643 0.000) 15.880 4.316 ( -3.072 -0.122 0.000) 3.074 4.484 ( 10.978 -1.556 0.000) 11.088 4.614 ( 11.280 0.258 0.000) 11.283 5.261 ( -3.426 9.418 0.000) 10.021 5.603 ( -3.745 6.494 0.000) 7.497 5.680 ( -7.749 -1.407 0.000) 7.876 5.717 ( 6.080 -5.495 0.000) 8.195 6.560 ( -3.953 7.240 0.000) 8.249 6.745 ( -8.808 1.409 0.000) 8.920 6.748 ( 4.390 -1.267 0.000) 4.569 7.012 ( 2.618 -0.012 0.000) 2.618 7.062 ( -3.642 -8.504 0.000) 9.251 7.151 ( -2.699 0.134 0.000) 2.703 12.833 ( -3.870 0.164 0.000) 3.873 13.007 ( 4.377 -0.122 0.000) 4.379 13.320 ( -0.414 0.753 0.000) 0.859 13.558 ( -0.985 0.292 0.000) 1.028 17.414 ( 0.581 0.924 0.000) 1.091 17.532 ( 0.068 -1.736 0.000) 1.737 17.798 ( 1.214 0.384 0.000) 1.273 18.091 ( 1.595 0.499 0.000) 1.671 18.112 ( -1.223 -0.526 0.000) 1.331 18.332 ( 2.088 -1.604 0.000) 2.633 28.337 ( -0.529 0.185 0.000) 0.560 28.359 ( 0.452 -0.390 0.000) 0.597 31.490 ( 5.512 -0.221 0.000) 5.516 32.079 ( -6.644 0.898 0.000) 6.705 32.801 ( 7.404 6.429 0.000) 9.805 33.275 ( 13.081 -0.820 0.000) 13.107 33.723 ( -14.774 0.950 0.000) 14.805 33.897 ( 1.082 -6.677 0.000) 6.764 ======================= Grid point 26 (19/144) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -13.311 3.468 0.000) 13.756 1.899 ( 15.317 3.358 0.000) 15.680 2.055 ( 14.791 0.098 0.000) 14.791 2.530 ( 3.715 2.722 0.000) 4.605 2.877 ( -12.194 -4.410 0.000) 12.967 3.029 ( -7.470 -1.722 0.000) 7.666 3.348 ( -0.176 6.988 0.000) 6.990 3.367 ( -1.221 8.344 0.000) 8.433 3.688 ( -6.279 -7.241 0.000) 9.584 4.093 ( -3.403 -19.480 0.000) 19.775 4.104 ( 8.775 0.663 0.000) 8.800 4.296 ( -1.887 -5.720 0.000) 6.023 4.613 ( 4.919 4.020 0.000) 6.353 4.749 ( 8.419 3.893 0.000) 9.276 5.030 ( -10.851 12.071 0.000) 16.231 5.427 ( -6.574 5.330 0.000) 8.464 5.616 ( -3.080 -0.555 0.000) 3.130 5.823 ( -2.558 -6.174 0.000) 6.683 6.382 ( -0.933 10.146 0.000) 10.189 6.726 ( 0.478 -3.265 0.000) 3.300 6.820 ( 2.875 -0.765 0.000) 2.975 7.054 ( 2.189 0.881 0.000) 2.360 7.107 ( 0.013 -7.645 0.000) 7.645 7.112 ( -1.457 -0.566 0.000) 1.563 12.768 ( -4.340 -0.659 0.000) 4.390 13.070 ( 3.777 0.717 0.000) 3.844 13.310 ( 0.332 0.938 0.000) 0.995 13.547 ( 0.164 0.453 0.000) 0.481 17.408 ( -0.187 0.872 0.000) 0.892 17.547 ( -0.758 -1.992 0.000) 2.132 17.810 ( 1.171 0.990 0.000) 1.533 18.104 ( -0.820 -1.184 0.000) 1.441 18.114 ( 2.090 0.875 0.000) 2.266 18.381 ( 1.859 -1.668 0.000) 2.498 28.329 ( -0.124 0.241 0.000) 0.271 28.374 ( 0.863 -0.507 0.000) 1.001 31.523 ( -1.822 -0.078 0.000) 1.823 31.965 ( -6.310 0.944 0.000) 6.380 32.865 ( 10.467 9.600 0.000) 14.203 33.466 ( -10.033 1.714 0.000) 10.178 33.514 ( 9.588 -1.769 0.000) 9.750 33.996 ( 1.743 -8.421 0.000) 8.600 ======================= Grid point 27 (20/144) ======================= q-point: (-0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -12.760 4.816 0.000) 13.638 2.076 ( 11.447 6.132 0.000) 12.986 2.196 ( 8.833 10.122 0.000) 13.434 2.529 ( -5.376 2.278 0.000) 5.839 2.752 ( -9.245 -10.457 0.000) 13.958 2.923 ( -6.811 -5.336 0.000) 8.652 3.204 ( -7.255 4.145 0.000) 8.355 3.354 ( 4.010 1.685 0.000) 4.349 3.655 ( -5.241 -2.901 0.000) 5.990 4.148 ( -4.826 -2.184 0.000) 5.297 4.224 ( -5.584 -14.089 0.000) 15.156 4.283 ( -6.136 1.621 0.000) 6.346 4.552 ( -3.507 4.734 0.000) 5.892 4.736 ( -8.177 7.800 0.000) 11.301 4.829 ( 8.048 7.655 0.000) 11.107 5.351 ( 2.018 2.637 0.000) 3.321 5.589 ( -2.054 -2.987 0.000) 3.625 5.741 ( -9.830 -1.081 0.000) 9.889 6.370 ( 3.544 0.358 0.000) 3.562 6.764 ( 1.224 -0.703 0.000) 1.412 6.851 ( 1.068 0.968 0.000) 1.441 7.038 ( -1.544 1.124 0.000) 1.910 7.140 ( 2.701 -0.552 0.000) 2.757 7.248 ( 7.793 -8.277 0.000) 11.368 12.707 ( -4.525 -1.471 0.000) 4.758 13.114 ( 3.130 1.534 0.000) 3.486 13.314 ( 1.351 0.877 0.000) 1.611 13.554 ( 1.315 0.602 0.000) 1.446 17.391 ( -1.074 0.384 0.000) 1.141 17.543 ( -1.792 -1.280 0.000) 2.203 17.815 ( 0.920 1.516 0.000) 1.773 18.110 ( -0.292 -1.695 0.000) 1.720 18.138 ( 2.113 1.158 0.000) 2.410 18.423 ( 1.453 -1.160 0.000) 1.859 28.329 ( 0.485 0.259 0.000) 0.550 28.396 ( 1.284 -0.366 0.000) 1.335 31.435 ( -8.346 0.696 0.000) 8.375 31.856 ( -6.833 -0.223 0.000) 6.837 32.934 ( 11.307 12.042 0.000) 16.518 33.236 ( -12.414 2.187 0.000) 12.605 33.749 ( 13.125 -2.674 0.000) 13.394 34.127 ( 4.148 -7.913 0.000) 8.934 ======================= Grid point 28 (21/144) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -4.092 4.248 0.000) 5.899 2.115 ( 3.242 10.171 0.000) 10.675 2.151 ( 2.909 16.617 0.000) 16.870 2.275 ( -20.459 3.373 0.000) 20.735 2.696 ( -13.055 -5.582 0.000) 14.199 2.949 ( -2.749 -12.639 0.000) 12.935 3.140 ( 2.094 -2.712 0.000) 3.427 3.446 ( 7.547 -2.188 0.000) 7.858 3.579 ( -6.113 0.898 0.000) 6.179 3.940 ( -18.373 1.238 0.000) 18.415 4.083 ( -11.367 8.354 0.000) 14.106 4.086 ( -10.890 6.015 0.000) 12.441 4.556 ( -4.235 -14.330 0.000) 14.943 4.669 ( 3.729 1.915 0.000) 4.192 4.839 ( 3.923 10.496 0.000) 11.206 5.381 ( 5.217 5.490 0.000) 7.573 5.610 ( -6.288 -1.167 0.000) 6.395 5.634 ( 0.599 -8.819 0.000) 8.839 6.415 ( -2.162 -5.456 0.000) 5.869 6.780 ( 0.787 0.399 0.000) 0.882 6.833 ( -0.592 3.234 0.000) 3.288 7.006 ( -1.079 0.795 0.000) 1.340 7.186 ( 2.417 -0.051 0.000) 2.418 7.516 ( 13.909 -8.518 0.000) 16.310 12.654 ( -4.251 -2.164 0.000) 4.770 13.140 ( 2.409 2.276 0.000) 3.315 13.336 ( 2.477 0.826 0.000) 2.611 13.574 ( 1.973 0.754 0.000) 2.112 17.365 ( -1.993 -0.266 0.000) 2.010 17.516 ( -2.367 -0.216 0.000) 2.377 17.810 ( 0.595 1.762 0.000) 1.860 18.127 ( 0.185 -1.871 0.000) 1.880 18.158 ( 1.887 1.221 0.000) 2.248 18.451 ( 0.969 -0.528 0.000) 1.104 28.340 ( 1.194 0.210 0.000) 1.213 28.420 ( 1.455 0.110 0.000) 1.459 31.258 ( -11.493 1.521 0.000) 11.593 31.741 ( -8.719 -1.612 0.000) 8.867 32.976 ( 9.929 13.831 0.000) 17.026 33.031 ( -9.938 2.354 0.000) 10.213 33.980 ( 11.412 -3.426 0.000) 11.915 34.290 ( 7.132 -6.236 0.000) 9.474 ======================= Grid point 29 (22/144) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 8.569 0.398 0.000) 8.578 1.812 ( -31.160 5.239 0.000) 31.598 1.964 ( -3.554 18.396 0.000) 18.736 1.987 ( -2.781 14.702 0.000) 14.963 2.481 ( -13.727 0.983 0.000) 13.762 2.988 ( -10.398 -11.688 0.000) 15.644 3.215 ( 2.102 10.365 0.000) 10.576 3.405 ( -4.496 7.527 0.000) 8.767 3.669 ( -14.363 -3.132 0.000) 14.701 3.672 ( 13.593 -9.387 0.000) 16.519 3.843 ( -3.506 11.259 0.000) 11.792 3.880 ( -11.705 -3.843 0.000) 12.320 4.615 ( -9.438 -17.736 0.000) 20.090 4.730 ( 3.252 0.189 0.000) 3.257 4.764 ( 2.440 10.834 0.000) 11.105 5.393 ( 4.416 7.240 0.000) 8.481 5.570 ( -1.235 -1.869 0.000) 2.240 5.772 ( 2.853 -11.310 0.000) 11.664 6.401 ( -6.877 -6.201 0.000) 9.260 6.772 ( -1.444 5.362 0.000) 5.553 6.786 ( 0.452 0.190 0.000) 0.490 6.985 ( -0.523 0.972 0.000) 1.104 7.219 ( 1.561 -0.191 0.000) 1.573 7.841 ( 14.416 -9.088 0.000) 17.041 12.616 ( -3.397 -2.679 0.000) 4.326 13.146 ( 1.612 2.906 0.000) 3.323 13.375 ( 3.332 0.936 0.000) 3.461 13.599 ( 1.891 0.749 0.000) 2.034 17.331 ( -3.085 -0.957 0.000) 3.230 17.477 ( -1.912 0.865 0.000) 2.098 17.799 ( 0.301 1.752 0.000) 1.778 18.151 ( 0.440 -1.727 0.000) 1.782 18.176 ( 1.683 0.866 0.000) 1.893 18.466 ( 0.635 0.032 0.000) 0.636 28.363 ( 1.765 0.089 0.000) 1.768 28.438 ( 1.229 0.792 0.000) 1.462 31.053 ( -10.957 2.010 0.000) 11.140 31.603 ( -10.590 -2.000 0.000) 10.777 32.870 ( -6.858 2.333 0.000) 7.245 32.969 ( 7.062 14.693 0.000) 16.302 34.181 ( 8.499 -4.005 0.000) 9.395 34.480 ( 9.330 -4.656 0.000) 10.428 ======================= Grid point 30 (23/144) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -33.066 9.082 0.000) 34.291 1.201 ( 10.778 1.038 0.000) 10.828 1.684 ( -8.421 16.527 0.000) 18.549 1.760 ( -3.594 16.494 0.000) 16.881 2.280 ( -5.944 6.082 0.000) 8.504 2.818 ( -7.826 41.692 0.000) 42.420 2.872 ( -13.340 -8.176 0.000) 15.647 3.457 ( 2.185 -5.702 0.000) 6.106 3.551 ( -4.909 -5.471 0.000) 7.351 3.737 ( 1.665 8.526 0.000) 8.687 3.758 ( -10.751 -6.037 0.000) 12.330 4.052 ( 16.556 -13.633 0.000) 21.447 4.616 ( -12.852 -19.167 0.000) 23.078 4.688 ( 1.901 8.176 0.000) 8.394 4.812 ( 2.726 -4.261 0.000) 5.058 5.379 ( 2.940 7.462 0.000) 8.020 5.580 ( 0.469 -0.222 0.000) 0.518 5.926 ( 2.265 -9.675 0.000) 9.936 6.327 ( -7.314 -2.602 0.000) 7.764 6.684 ( -1.347 6.917 0.000) 7.047 6.796 ( 0.249 -1.038 0.000) 1.067 6.969 ( -0.233 1.006 0.000) 1.033 7.242 ( 0.766 -0.767 0.000) 1.084 8.143 ( 10.062 -10.245 0.000) 14.360 12.601 ( -1.933 -2.993 0.000) 3.562 13.133 ( 0.789 3.339 0.000) 3.431 13.418 ( 3.022 1.287 0.000) 3.284 13.618 ( 1.090 0.310 0.000) 1.134 17.287 ( -3.346 -1.084 0.000) 3.517 17.442 ( -0.774 1.478 0.000) 1.668 17.785 ( 0.086 1.561 0.000) 1.563 18.174 ( 0.376 -1.346 0.000) 1.398 18.196 ( 1.326 0.151 0.000) 1.334 18.474 ( 0.657 0.171 0.000) 0.679 28.393 ( 1.720 -0.204 0.000) 1.732 28.442 ( 0.666 1.425 0.000) 1.573 30.882 ( -6.986 2.216 0.000) 7.329 31.445 ( -9.860 -0.259 0.000) 9.863 32.764 ( -3.464 2.185 0.000) 4.095 32.906 ( 3.467 14.377 0.000) 14.789 34.330 ( 4.582 -4.278 0.000) 6.268 34.678 ( 8.765 -4.681 0.000) 9.937 ======================= Grid point 31 (24/144) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -0.000 14.268 0.000) 14.268 1.186 ( -0.000 19.317 0.000) 19.317 1.409 ( -0.000 18.107 0.000) 18.107 1.644 ( -0.000 1.047 0.000) 1.047 2.175 ( -0.000 6.429 0.000) 6.429 2.255 ( -0.000 50.851 0.000) 50.851 2.821 ( 0.000 -6.439 0.000) 6.439 3.496 ( 0.000 -4.912 0.000) 4.912 3.627 ( 0.000 -3.503 0.000) 3.503 3.672 ( 0.000 -3.940 0.000) 3.940 3.678 ( -0.000 7.025 0.000) 7.025 4.369 ( 0.000 -12.365 0.000) 12.365 4.633 ( -0.000 6.390 0.000) 6.390 4.677 ( 0.000 -22.245 0.000) 22.245 4.909 ( 0.000 -9.309 0.000) 9.309 5.327 ( -0.000 8.117 0.000) 8.117 5.582 ( -0.000 0.401 0.000) 0.401 6.021 ( 0.000 -4.592 0.000) 4.592 6.250 ( -0.000 3.193 0.000) 3.193 6.602 ( -0.000 6.167 0.000) 6.167 6.813 ( 0.000 -1.611 0.000) 1.611 6.958 ( -0.000 0.655 0.000) 0.655 7.259 ( 0.000 -1.215 0.000) 1.215 8.345 ( 0.000 -11.180 0.000) 11.180 12.616 ( 0.000 -3.122 0.000) 3.122 13.105 ( -0.000 3.491 0.000) 3.491 13.430 ( -0.000 1.950 0.000) 1.950 13.628 ( 0.000 -0.691 0.000) 0.691 17.262 ( 0.000 -0.584 0.000) 0.584 17.421 ( -0.000 1.494 0.000) 1.494 17.771 ( -0.000 1.217 0.000) 1.217 18.189 ( 0.000 -0.821 0.000) 0.821 18.210 ( 0.000 -0.302 0.000) 0.302 18.483 ( 0.000 -0.261 0.000) 0.261 28.414 ( 0.000 -0.592 0.000) 0.592 28.431 ( -0.000 1.731 0.000) 1.731 30.799 ( -0.000 2.160 0.000) 2.160 31.332 ( -0.000 2.456 0.000) 2.456 32.714 ( -0.000 1.960 0.000) 1.960 32.794 ( -0.000 12.672 0.000) 12.672 34.411 ( 0.000 -4.109 0.000) 4.109 34.820 ( 0.000 -5.612 0.000) 5.612 ======================= Grid point 36 (25/144) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -13.119 0.000 0.000) 13.119 1.941 ( 15.957 -0.000 0.000) 15.957 2.030 ( 17.228 -0.000 0.000) 17.228 2.581 ( 2.118 -0.000 0.000) 2.118 2.832 ( -12.756 0.000 0.000) 12.756 3.002 ( -5.795 0.000 0.000) 5.795 3.490 ( 12.550 -0.000 0.000) 12.550 3.544 ( -15.496 0.000 0.000) 15.496 3.560 ( -5.598 0.000 0.000) 5.598 3.782 ( -4.036 0.000 0.000) 4.036 4.133 ( 15.010 -0.000 0.000) 15.010 4.208 ( -9.075 0.000 0.000) 9.075 4.665 ( 9.432 -0.000 0.000) 9.432 4.783 ( 7.624 -0.000 0.000) 7.624 5.184 ( -10.727 0.000 0.000) 10.727 5.468 ( -12.547 0.000 0.000) 12.547 5.622 ( -1.736 0.000 0.000) 1.736 5.747 ( 0.482 -0.000 0.000) 0.482 6.547 ( -9.876 0.000 0.000) 9.876 6.641 ( 5.039 -0.000 0.000) 5.039 6.810 ( 3.805 -0.000 0.000) 3.805 7.014 ( 1.286 -0.000 0.000) 1.286 7.065 ( 3.809 -0.000 0.000) 3.809 7.105 ( -2.961 0.000 0.000) 2.961 12.761 ( -4.681 0.000 0.000) 4.681 13.077 ( 4.110 -0.000 0.000) 4.110 13.320 ( 0.126 -0.000 0.000) 0.126 13.552 ( 0.203 -0.000 0.000) 0.203 17.420 ( -0.530 0.000 0.000) 0.530 17.522 ( -0.164 0.000 0.000) 0.164 17.822 ( 1.462 -0.000 0.000) 1.462 18.090 ( -1.092 0.000 0.000) 1.092 18.124 ( 2.091 -0.000 0.000) 2.091 18.361 ( 2.364 -0.000 0.000) 2.364 28.332 ( -0.042 0.000 0.000) 0.042 28.367 ( 0.843 -0.000 0.000) 0.843 31.522 ( -1.546 0.000 0.000) 1.546 31.975 ( -6.737 0.000 0.000) 6.737 32.986 ( 11.274 -0.000 0.000) 11.274 33.488 ( 13.637 -0.000 0.000) 13.637 33.491 ( -14.263 0.000 0.000) 14.263 33.888 ( 2.018 -0.000 0.000) 2.018 ======================= Grid point 37 (26/144) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -11.489 2.239 0.000) 11.705 2.176 ( 14.418 2.962 0.000) 14.719 2.283 ( 12.763 0.085 0.000) 12.764 2.578 ( -7.203 1.831 0.000) 7.432 2.614 ( -8.882 -2.985 0.000) 9.370 2.853 ( -12.050 -1.635 0.000) 12.161 3.273 ( -14.701 1.861 0.000) 14.818 3.460 ( 1.769 8.331 0.000) 8.517 3.667 ( 7.412 3.203 0.000) 8.075 3.854 ( -2.464 -16.435 0.000) 16.619 4.059 ( -9.759 -4.999 0.000) 10.964 4.279 ( -1.691 -0.342 0.000) 1.726 4.729 ( 1.320 7.096 0.000) 7.218 4.794 ( -4.575 0.511 0.000) 4.604 5.060 ( 4.401 8.618 0.000) 9.677 5.303 ( -7.790 -4.108 0.000) 8.807 5.590 ( -1.285 1.212 0.000) 1.767 5.705 ( -6.920 -1.607 0.000) 7.104 6.407 ( -5.311 2.027 0.000) 5.685 6.734 ( 3.137 -1.591 0.000) 3.517 6.863 ( 2.655 0.246 0.000) 2.666 7.055 ( -2.723 0.428 0.000) 2.756 7.107 ( 8.324 -4.247 0.000) 9.344 7.133 ( 4.080 -0.137 0.000) 4.082 12.687 ( -4.792 -0.517 0.000) 4.820 13.136 ( 3.414 0.550 0.000) 3.458 13.327 ( 1.013 0.365 0.000) 1.076 13.565 ( 1.677 0.384 0.000) 1.721 17.398 ( -1.833 0.277 0.000) 1.854 17.521 ( -0.587 -0.707 0.000) 0.919 17.842 ( 1.410 0.876 0.000) 1.660 18.079 ( -0.791 -0.989 0.000) 1.266 18.155 ( 2.001 0.475 0.000) 2.056 18.401 ( 1.880 -0.716 0.000) 2.012 28.336 ( 0.663 0.297 0.000) 0.726 28.387 ( 1.296 -0.392 0.000) 1.354 31.443 ( -7.816 0.177 0.000) 7.818 31.860 ( -7.311 0.303 0.000) 7.317 33.153 ( 13.653 7.491 0.000) 15.573 33.268 ( -12.656 0.831 0.000) 12.683 33.711 ( 13.046 -0.992 0.000) 13.084 33.964 ( 3.509 -6.087 0.000) 7.026 ======================= Grid point 38 (27/144) ======================= q-point: (-0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -3.490 5.130 0.000) 6.204 2.293 ( -19.744 -0.090 0.000) 19.744 2.308 ( 7.460 8.547 0.000) 11.345 2.404 ( 3.012 6.032 0.000) 6.742 2.604 ( -3.864 -2.496 0.000) 4.600 2.731 ( -6.933 -8.407 0.000) 10.897 3.080 ( -6.918 -2.914 0.000) 7.507 3.455 ( 4.505 3.641 0.000) 5.792 3.629 ( -2.864 6.896 0.000) 7.468 3.945 ( -17.032 -1.787 0.000) 17.125 3.952 ( -7.325 -16.551 0.000) 18.100 4.136 ( -7.608 -1.694 0.000) 7.795 4.580 ( -4.836 12.009 0.000) 12.946 4.767 ( 3.844 4.837 0.000) 6.179 5.077 ( 8.492 12.048 0.000) 14.740 5.324 ( -0.190 -10.361 0.000) 10.363 5.562 ( -0.154 1.701 0.000) 1.708 5.583 ( -8.450 -1.503 0.000) 8.583 6.317 ( -7.279 -3.263 0.000) 7.977 6.773 ( 0.459 -1.428 0.000) 1.500 6.885 ( 1.225 1.836 0.000) 2.207 7.013 ( -1.973 -0.072 0.000) 1.975 7.194 ( 3.536 0.640 0.000) 3.593 7.352 ( 13.898 -6.523 0.000) 15.352 12.620 ( -4.394 -1.146 0.000) 4.541 13.176 ( 2.640 1.233 0.000) 2.914 13.347 ( 1.927 0.303 0.000) 1.950 13.595 ( 2.791 1.051 0.000) 2.982 17.360 ( -2.881 -0.261 0.000) 2.893 17.513 ( -0.971 -0.132 0.000) 0.980 17.848 ( 1.058 1.786 0.000) 2.076 18.085 ( -0.335 -1.996 0.000) 2.024 18.178 ( 1.496 0.691 0.000) 1.648 18.434 ( 1.114 -0.904 0.000) 1.435 28.348 ( 1.334 0.499 0.000) 1.424 28.415 ( 1.616 -0.475 0.000) 1.684 31.281 ( -11.145 0.727 0.000) 11.168 31.732 ( -8.129 0.258 0.000) 8.133 33.070 ( -10.186 1.410 0.000) 10.283 33.261 ( 12.477 13.194 0.000) 18.159 33.924 ( 11.256 -1.977 0.000) 11.429 34.121 ( 5.910 -9.349 0.000) 11.061 ======================= Grid point 39 (28/144) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 6.492 5.162 0.000) 8.294 1.894 ( -27.467 2.803 0.000) 27.610 2.256 ( 0.681 11.407 0.000) 11.428 2.284 ( -7.229 11.808 0.000) 13.845 2.504 ( -6.246 1.208 0.000) 6.362 2.761 ( -5.106 -9.687 0.000) 10.950 3.138 ( 4.190 -8.094 0.000) 9.114 3.520 ( -5.550 0.224 0.000) 5.555 3.532 ( 5.581 -4.509 0.000) 7.175 3.635 ( -16.887 -0.776 0.000) 16.905 3.951 ( -5.744 -5.678 0.000) 8.076 4.010 ( -5.810 11.378 0.000) 12.776 4.407 ( -6.568 2.720 0.000) 7.108 4.791 ( 5.576 5.622 0.000) 7.918 5.044 ( 4.013 15.454 0.000) 15.966 5.456 ( 3.044 -8.029 0.000) 8.586 5.516 ( -2.068 -3.537 0.000) 4.097 5.556 ( -0.062 -2.340 0.000) 2.341 6.231 ( -10.668 -8.716 0.000) 13.776 6.790 ( 0.242 -0.818 0.000) 0.853 6.864 ( -0.148 3.696 0.000) 3.699 6.994 ( -0.700 -0.213 0.000) 0.732 7.231 ( 2.296 1.287 0.000) 2.632 7.654 ( 13.167 -8.455 0.000) 15.648 12.571 ( -3.425 -1.738 0.000) 3.841 13.196 ( 1.788 1.932 0.000) 2.632 13.382 ( 2.433 -0.082 0.000) 2.434 13.629 ( 2.995 1.854 0.000) 3.522 17.313 ( -3.470 -0.777 0.000) 3.556 17.494 ( -0.884 0.744 0.000) 1.155 17.841 ( 0.620 2.242 0.000) 2.326 18.107 ( 0.049 -2.507 0.000) 2.508 18.191 ( 0.969 0.592 0.000) 1.136 18.455 ( 0.455 -0.847 0.000) 0.962 28.368 ( 1.708 0.442 0.000) 1.764 28.444 ( 1.482 -0.120 0.000) 1.486 31.088 ( -10.723 1.363 0.000) 10.809 31.595 ( -8.205 0.556 0.000) 8.224 32.913 ( -7.076 1.788 0.000) 7.298 33.287 ( 8.964 15.969 0.000) 18.312 34.109 ( 8.323 -2.912 0.000) 8.817 34.328 ( 7.160 -9.699 0.000) 12.056 ======================= Grid point 40 (29/144) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 9.789 0.873 0.000) 9.827 1.379 ( -26.573 8.442 0.000) 27.882 2.002 ( -9.293 13.481 0.000) 16.374 2.125 ( 0.655 17.054 0.000) 17.066 2.400 ( -2.601 5.566 0.000) 6.143 2.699 ( -11.473 -7.876 0.000) 13.916 3.292 ( 3.972 -5.707 0.000) 6.953 3.412 ( -8.417 -4.609 0.000) 9.597 3.503 ( -0.357 4.171 0.000) 4.186 3.728 ( -8.831 16.136 0.000) 18.395 3.750 ( 7.974 -12.696 0.000) 14.992 3.930 ( 4.389 3.866 0.000) 5.849 4.296 ( -11.571 -8.576 0.000) 14.403 4.816 ( 3.613 5.319 0.000) 6.430 4.920 ( 0.710 13.751 0.000) 13.769 5.502 ( 1.915 4.454 0.000) 4.848 5.563 ( 2.690 -1.631 0.000) 3.146 5.668 ( 0.926 -14.713 0.000) 14.742 6.168 ( -9.316 -12.159 0.000) 15.317 6.796 ( 0.188 0.330 0.000) 0.380 6.813 ( -0.430 5.277 0.000) 5.295 6.987 ( -0.202 0.480 0.000) 0.520 7.244 ( 1.000 1.132 0.000) 1.511 7.927 ( 8.161 -10.326 0.000) 13.162 12.547 ( -1.904 -2.242 0.000) 2.941 13.194 ( 0.883 2.571 0.000) 2.718 13.423 ( 1.967 -0.554 0.000) 2.043 13.649 ( 2.002 2.387 0.000) 3.115 17.268 ( -2.826 -0.821 0.000) 2.943 17.472 ( -0.443 1.346 0.000) 1.417 17.824 ( 0.252 2.263 0.000) 2.277 18.135 ( 0.170 -2.478 0.000) 2.484 18.199 ( 0.586 0.204 0.000) 0.620 18.467 ( 0.119 -0.708 0.000) 0.718 28.391 ( 1.376 0.125 0.000) 1.382 28.462 ( 0.854 0.486 0.000) 0.983 30.925 ( -6.731 1.959 0.000) 7.011 31.465 ( -6.030 1.654 0.000) 6.253 32.807 ( -3.590 2.011 0.000) 4.115 33.228 ( 4.493 16.854 0.000) 17.442 34.247 ( 4.456 -3.699 0.000) 5.791 34.532 ( 5.556 -9.302 0.000) 10.835 ======================= Grid point 41 (30/144) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -0.000 12.863 0.000) 12.863 1.304 ( 0.000 -1.638 0.000) 1.638 1.766 ( -0.000 16.039 0.000) 16.039 1.926 ( -0.000 21.121 0.000) 21.121 2.314 ( -0.000 6.873 0.000) 6.873 2.668 ( 0.000 -8.275 0.000) 8.275 3.177 ( -0.000 36.046 0.000) 36.046 3.384 ( 0.000 -5.803 0.000) 5.803 3.527 ( 0.000 -3.998 0.000) 3.998 3.574 ( 0.000 -5.626 0.000) 5.626 3.823 ( -0.000 5.155 0.000) 5.155 4.142 ( 0.000 -9.668 0.000) 9.668 4.237 ( 0.000 -18.474 0.000) 18.474 4.776 ( -0.000 7.267 0.000) 7.267 4.837 ( -0.000 4.172 0.000) 4.172 5.466 ( -0.000 5.607 0.000) 5.607 5.591 ( -0.000 0.474 0.000) 0.474 5.824 ( 0.000 -13.461 0.000) 13.461 6.201 ( 0.000 -9.151 0.000) 9.151 6.746 ( -0.000 6.818 0.000) 6.818 6.793 ( -0.000 0.227 0.000) 0.227 6.977 ( -0.000 0.993 0.000) 0.993 7.245 ( -0.000 0.174 0.000) 0.174 8.109 ( 0.000 -11.555 0.000) 11.555 12.556 ( 0.000 -2.657 0.000) 2.657 13.173 ( -0.000 3.061 0.000) 3.061 13.447 ( 0.000 -0.389 0.000) 0.389 13.642 ( -0.000 2.064 0.000) 2.064 17.249 ( 0.000 -0.644 0.000) 0.644 17.453 ( -0.000 1.576 0.000) 1.576 17.804 ( -0.000 2.015 0.000) 2.015 18.160 ( 0.000 -2.047 0.000) 2.047 18.204 ( 0.000 -0.158 0.000) 0.158 18.475 ( 0.000 -0.601 0.000) 0.601 28.405 ( 0.000 -0.264 0.000) 0.264 28.461 ( -0.000 1.072 0.000) 1.072 30.846 ( -0.000 2.314 0.000) 2.314 31.387 ( -0.000 2.750 0.000) 2.750 32.757 ( -0.000 2.135 0.000) 2.135 33.094 ( -0.000 16.350 0.000) 16.350 34.324 ( 0.000 -4.199 0.000) 4.199 34.675 ( 0.000 -8.637 0.000) 8.637 ======================= Grid point 48 (31/144) ======================= q-point: ( 0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -2.935 0.000 0.000) 2.935 2.284 ( -20.357 0.000 0.000) 20.357 2.418 ( 13.094 -0.000 0.000) 13.094 2.448 ( 6.531 -0.000 0.000) 6.531 2.588 ( -2.603 0.000 0.000) 2.603 2.629 ( -13.027 0.000 0.000) 13.027 3.046 ( -11.236 0.000 0.000) 11.236 3.578 ( 5.946 -0.000 0.000) 5.946 3.677 ( -8.298 0.000 0.000) 8.298 3.807 ( -14.468 0.000 0.000) 14.468 3.840 ( 1.098 -0.000 0.000) 1.098 4.105 ( -10.462 0.000 0.000) 10.462 4.762 ( -3.572 0.000 0.000) 3.572 4.816 ( 5.659 -0.000 0.000) 5.659 5.162 ( -4.256 0.000 0.000) 4.256 5.224 ( 8.610 -0.000 0.000) 8.610 5.562 ( -9.375 0.000 0.000) 9.375 5.587 ( 0.031 -0.000 0.000) 0.031 6.288 ( -9.428 0.000 0.000) 9.428 6.747 ( -0.534 0.000 0.000) 0.534 6.905 ( 2.169 -0.000 0.000) 2.169 7.011 ( -2.689 0.000 0.000) 2.689 7.202 ( 4.090 -0.000 0.000) 4.090 7.283 ( 14.498 -0.000 0.000) 14.498 12.608 ( -4.439 0.000 0.000) 4.439 13.189 ( 2.715 -0.000 0.000) 2.715 13.350 ( 1.616 -0.000 0.000) 1.616 13.607 ( 3.131 -0.000 0.000) 3.131 17.357 ( -3.252 0.000 0.000) 3.252 17.511 ( -0.362 0.000 0.000) 0.362 17.870 ( 1.357 -0.000 0.000) 1.357 18.061 ( -0.666 0.000 0.000) 0.666 18.185 ( 1.346 -0.000 0.000) 1.346 18.423 ( 1.246 -0.000 0.000) 1.246 28.355 ( 1.400 -0.000 0.000) 1.400 28.408 ( 1.653 -0.000 0.000) 1.653 31.288 ( -10.976 0.000 0.000) 10.976 31.737 ( -8.003 0.000 0.000) 8.003 33.085 ( -10.284 0.000 0.000) 10.284 33.428 ( 14.301 -0.000 0.000) 14.301 33.904 ( 11.212 -0.000 0.000) 11.212 33.995 ( 4.579 -0.000 0.000) 4.579 ======================= Grid point 50 (32/144) ======================= q-point: (-0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 4.931 2.911 0.000) 5.726 1.928 ( -23.427 0.738 0.000) 23.438 2.428 ( -4.539 4.594 0.000) 6.458 2.434 ( -9.092 3.301 0.000) 9.673 2.523 ( -1.477 0.511 0.000) 1.563 2.627 ( 5.933 -3.018 0.000) 6.657 2.991 ( 1.263 -4.546 0.000) 4.718 3.485 ( -8.934 -0.345 0.000) 8.941 3.557 ( -12.947 2.747 0.000) 13.236 3.611 ( -19.003 -1.566 0.000) 19.067 3.744 ( 3.526 -8.510 0.000) 9.211 4.169 ( 9.449 3.945 0.000) 10.240 4.606 ( -7.169 10.375 0.000) 12.611 4.896 ( 5.439 3.386 0.000) 6.407 5.198 ( 0.142 -11.039 0.000) 11.040 5.317 ( 7.111 8.523 0.000) 11.100 5.435 ( -6.222 -3.432 0.000) 7.106 5.587 ( 0.634 1.267 0.000) 1.416 6.117 ( -12.782 -2.015 0.000) 12.939 6.743 ( -1.157 -2.734 0.000) 2.969 6.923 ( 0.881 2.012 0.000) 2.196 6.979 ( -1.429 -1.062 0.000) 1.780 7.257 ( 3.019 0.838 0.000) 3.134 7.530 ( 13.091 -3.221 0.000) 13.481 12.547 ( -3.441 -0.600 0.000) 3.493 13.223 ( 1.882 0.677 0.000) 2.000 13.379 ( 1.813 -0.129 0.000) 1.818 13.659 ( 3.557 0.878 0.000) 3.664 17.301 ( -3.560 -0.305 0.000) 3.573 17.505 ( -0.348 0.278 0.000) 0.446 17.882 ( 0.948 1.402 0.000) 1.693 18.061 ( -0.350 -1.564 0.000) 1.603 18.200 ( 0.658 0.245 0.000) 0.703 18.440 ( 0.556 -0.464 0.000) 0.724 28.378 ( 1.670 0.399 0.000) 1.717 28.438 ( 1.625 -0.343 0.000) 1.661 31.107 ( -10.475 0.481 0.000) 10.486 31.608 ( -7.422 0.450 0.000) 7.436 32.939 ( -7.210 0.668 0.000) 7.241 33.580 ( 10.872 10.828 0.000) 15.344 34.068 ( 8.244 -1.054 0.000) 8.311 34.122 ( 5.441 -8.634 0.000) 10.206 ======================= Grid point 51 (33/144) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 6.307 2.957 0.000) 6.966 1.526 ( -20.771 5.463 0.000) 21.478 2.209 ( -9.523 6.747 0.000) 11.671 2.370 ( 2.992 4.144 0.000) 5.111 2.492 ( -0.751 3.130 0.000) 3.219 2.633 ( -5.693 4.524 0.000) 7.272 3.108 ( 3.020 -9.020 0.000) 9.512 3.334 ( -10.785 -1.720 0.000) 10.922 3.446 ( -6.380 -3.947 0.000) 7.502 3.452 ( -3.122 -15.220 0.000) 15.537 3.881 ( 4.525 -4.983 0.000) 6.731 4.164 ( 3.331 18.516 0.000) 18.813 4.375 ( -6.855 11.247 0.000) 13.172 4.928 ( 3.865 4.700 0.000) 6.085 5.241 ( -0.118 13.624 0.000) 13.625 5.344 ( 0.837 -14.952 0.000) 14.975 5.498 ( 6.385 -4.296 0.000) 7.695 5.579 ( 0.505 2.175 0.000) 2.233 5.937 ( -13.962 -7.359 0.000) 15.782 6.766 ( -0.348 -3.615 0.000) 3.632 6.897 ( -0.221 3.197 0.000) 3.205 6.982 ( -0.111 -0.985 0.000) 0.992 7.279 ( 1.467 1.821 0.000) 2.338 7.750 ( 7.622 -6.386 0.000) 9.944 12.512 ( -1.893 -1.186 0.000) 2.234 13.235 ( 0.953 1.385 0.000) 1.682 13.409 ( 1.308 -0.607 0.000) 1.442 13.696 ( 2.427 1.859 0.000) 3.057 17.254 ( -2.518 -0.483 0.000) 2.564 17.494 ( -0.230 0.789 0.000) 0.822 17.873 ( 0.414 2.314 0.000) 2.350 18.080 ( -0.050 -2.629 0.000) 2.630 18.204 ( 0.252 0.243 0.000) 0.350 18.451 ( 0.139 -0.708 0.000) 0.721 28.398 ( 1.217 0.463 0.000) 1.302 28.463 ( 0.994 -0.270 0.000) 1.030 30.958 ( -6.451 1.141 0.000) 6.551 31.497 ( -4.801 1.290 0.000) 4.971 32.841 ( -3.690 1.197 0.000) 3.879 33.570 ( 5.387 16.039 0.000) 16.920 34.187 ( 4.384 -2.096 0.000) 4.859 34.313 ( 4.217 -11.745 0.000) 12.479 ======================= Grid point 52 (34/144) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -0.000 10.231 0.000) 10.231 1.289 ( -0.000 0.764 0.000) 0.764 2.038 ( -0.000 10.351 0.000) 10.351 2.346 ( -0.000 19.476 0.000) 19.476 2.440 ( -0.000 5.195 0.000) 5.195 2.503 ( 0.000 -7.325 0.000) 7.325 3.242 ( 0.000 -11.069 0.000) 11.069 3.277 ( 0.000 -4.182 0.000) 4.182 3.452 ( 0.000 -6.040 0.000) 6.040 3.637 ( 0.000 -20.153 0.000) 20.153 3.939 ( -0.000 27.553 0.000) 27.553 3.982 ( 0.000 -5.954 0.000) 5.954 4.188 ( -0.000 10.432 0.000) 10.432 4.912 ( -0.000 5.672 0.000) 5.672 5.078 ( -0.000 16.793 0.000) 16.793 5.513 ( 0.000 -16.243 0.000) 16.243 5.556 ( -0.000 3.245 0.000) 3.245 5.600 ( -0.000 0.391 0.000) 0.391 5.917 ( 0.000 -16.197 0.000) 16.197 6.792 ( 0.000 -1.618 0.000) 1.618 6.858 ( -0.000 4.159 0.000) 4.159 6.987 ( 0.000 -0.223 0.000) 0.223 7.270 ( -0.000 2.048 0.000) 2.048 7.894 ( 0.000 -9.104 0.000) 9.104 12.511 ( 0.000 -1.734 0.000) 1.734 13.225 ( -0.000 2.044 0.000) 2.044 13.429 ( 0.000 -1.010 0.000) 1.010 13.694 ( -0.000 2.535 0.000) 2.535 17.237 ( 0.000 -0.512 0.000) 0.512 17.482 ( -0.000 1.182 0.000) 1.182 17.851 ( -0.000 2.495 0.000) 2.495 18.108 ( 0.000 -2.847 0.000) 2.847 18.204 ( -0.000 0.114 0.000) 0.114 18.460 ( 0.000 -0.793 0.000) 0.793 28.405 ( -0.000 0.269 0.000) 0.269 28.472 ( -0.000 0.082 0.000) 0.082 30.889 ( -0.000 1.740 0.000) 1.740 31.438 ( -0.000 2.155 0.000) 2.155 32.797 ( -0.000 1.631 0.000) 1.631 33.441 ( -0.000 17.345 0.000) 17.345 34.249 ( 0.000 -3.021 0.000) 3.021 34.470 ( 0.000 -11.450 0.000) 11.450 ======================= Grid point 61 (35/144) ======================= q-point: ( 0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 4.880 -0.000 0.000) 4.880 1.584 ( -18.255 0.000 0.000) 18.255 2.277 ( -9.237 0.000 0.000) 9.237 2.376 ( -1.154 0.000 0.000) 1.154 2.523 ( -0.178 0.000 0.000) 0.178 2.753 ( 6.356 -0.000 0.000) 6.356 3.007 ( 2.639 -0.000 0.000) 2.639 3.247 ( -13.185 0.000 0.000) 13.185 3.327 ( -11.913 0.000 0.000) 11.913 3.396 ( -8.284 0.000 0.000) 8.284 3.827 ( 6.987 -0.000 0.000) 6.987 4.378 ( 9.660 -0.000 0.000) 9.660 4.537 ( -7.289 0.000 0.000) 7.289 4.982 ( 2.799 -0.000 0.000) 2.799 5.150 ( 1.173 -0.000 0.000) 1.173 5.308 ( -4.638 0.000 0.000) 4.638 5.495 ( 8.373 -0.000 0.000) 8.373 5.602 ( 0.389 -0.000 0.000) 0.389 5.892 ( -13.318 0.000 0.000) 13.318 6.704 ( -1.072 0.000 0.000) 1.072 6.946 ( -1.116 0.000 0.000) 1.116 6.954 ( 0.814 -0.000 0.000) 0.814 7.300 ( 1.687 -0.000 0.000) 1.687 7.685 ( 7.522 -0.000 0.000) 7.522 12.500 ( -1.890 0.000 0.000) 1.890 13.249 ( 0.978 -0.000 0.000) 0.978 13.402 ( 1.126 -0.000 0.000) 1.126 13.716 ( 2.508 -0.000 0.000) 2.508 17.249 ( -2.408 0.000 0.000) 2.408 17.503 ( -0.151 0.000 0.000) 0.151 17.902 ( 0.558 -0.000 0.000) 0.558 18.047 ( -0.221 0.000 0.000) 0.221 18.207 ( 0.169 -0.000 0.000) 0.169 18.443 ( 0.177 -0.000 0.000) 0.177 28.404 ( 1.159 -0.000 0.000) 1.159 28.458 ( 1.055 -0.000 0.000) 1.055 30.970 ( -6.336 0.000 0.000) 6.336 31.511 ( -4.520 0.000 0.000) 4.520 32.854 ( -3.727 0.000 0.000) 3.727 33.791 ( 6.536 -0.000 0.000) 6.536 34.137 ( 3.021 -0.000 0.000) 3.021 34.165 ( 4.363 -0.000 0.000) 4.363 ======================= Grid point 63 (36/144) ======================= q-point: (-0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -0.000 1.247 0.000) 1.247 1.399 ( -0.000 4.160 0.000) 4.160 2.179 ( -0.000 3.502 0.000) 3.502 2.394 ( 0.000 -2.976 0.000) 2.976 2.512 ( -0.000 1.758 0.000) 1.758 2.710 ( -0.000 15.294 0.000) 15.294 3.058 ( 0.000 -5.361 0.000) 5.361 3.230 ( 0.000 -0.498 0.000) 0.498 3.232 ( 0.000 -17.034 0.000) 17.034 3.346 ( 0.000 -3.603 0.000) 3.603 3.902 ( 0.000 -1.986 0.000) 1.986 4.385 ( -0.000 14.365 0.000) 14.365 4.419 ( -0.000 9.012 0.000) 9.012 4.994 ( -0.000 2.131 0.000) 2.131 5.218 ( 0.000 -10.376 0.000) 10.376 5.287 ( 0.000 -0.918 0.000) 0.918 5.599 ( -0.000 1.058 0.000) 1.058 5.606 ( -0.000 0.153 0.000) 0.153 5.721 ( -0.000 0.580 0.000) 0.580 6.718 ( 0.000 -4.033 0.000) 4.033 6.922 ( -0.000 2.257 0.000) 2.257 6.970 ( 0.000 -1.256 0.000) 1.256 7.308 ( -0.000 1.190 0.000) 1.190 7.763 ( 0.000 -3.298 0.000) 3.298 12.487 ( 0.000 -0.599 0.000) 0.599 13.254 ( -0.000 0.715 0.000) 0.715 13.414 ( 0.000 -0.400 0.000) 0.400 13.732 ( -0.000 1.027 0.000) 1.027 17.230 ( 0.000 -0.197 0.000) 0.197 17.499 ( -0.000 0.437 0.000) 0.437 17.898 ( -0.000 1.664 0.000) 1.664 18.055 ( 0.000 -1.867 0.000) 1.867 18.207 ( -0.000 0.124 0.000) 0.124 18.447 ( 0.000 -0.399 0.000) 0.399 28.413 ( -0.000 0.330 0.000) 0.330 28.469 ( 0.000 -0.253 0.000) 0.253 30.913 ( -0.000 0.643 0.000) 0.643 31.469 ( -0.000 0.816 0.000) 0.816 32.820 ( -0.000 0.608 0.000) 0.608 33.767 ( -0.000 12.937 0.000) 12.937 34.206 ( 0.000 -1.086 0.000) 1.086 34.229 ( 0.000 -10.740 0.000) 10.740 ======================= Grid point 125 (37/144) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 0.000 0.000 28.013) 28.013 0.630 ( 0.000 0.000 31.039) 31.039 0.966 ( 0.000 0.000 2.856) 2.856 1.208 ( 0.000 0.000 57.050) 57.050 1.885 ( 0.000 0.000 -12.133) 12.133 2.322 ( 0.000 0.000 44.210) 44.210 2.976 ( 0.000 0.000 0.014) 0.014 3.307 ( 0.000 0.000 -15.466) 15.466 3.603 ( 0.000 0.000 -0.024) 0.024 3.753 ( 0.000 0.000 -0.328) 0.328 3.961 ( 0.000 0.000 19.024) 19.024 4.315 ( 0.000 0.000 -10.510) 10.510 4.843 ( 0.000 0.000 -3.306) 3.306 5.112 ( 0.000 0.000 12.951) 12.951 5.157 ( 0.000 0.000 -14.406) 14.406 5.229 ( 0.000 0.000 -0.160) 0.160 5.381 ( 0.000 0.000 1.360) 1.360 5.583 ( 0.000 0.000 0.821) 0.821 6.064 ( 0.000 0.000 5.329) 5.329 6.833 ( 0.000 0.000 0.798) 0.798 6.846 ( 0.000 0.000 -4.307) 4.307 6.938 ( 0.000 0.000 -7.222) 7.222 7.241 ( 0.000 0.000 -3.118) 3.118 8.241 ( 0.000 0.000 -12.424) 12.424 12.718 ( 0.000 0.000 1.167) 1.167 12.989 ( 0.000 0.000 -1.678) 1.678 13.385 ( 0.000 0.000 1.859) 1.859 13.653 ( 0.000 0.000 -1.168) 1.168 17.282 ( 0.000 0.000 0.587) 0.587 17.381 ( 0.000 0.000 -0.471) 0.471 18.086 ( 0.000 0.000 1.000) 1.000 18.187 ( 0.000 0.000 -1.427) 1.427 18.199 ( 0.000 0.000 0.274) 0.274 18.248 ( 0.000 0.000 1.153) 1.153 28.357 ( 0.000 0.000 0.250) 0.250 28.382 ( 0.000 0.000 -0.008) 0.008 30.774 ( 0.000 0.000 2.335) 2.335 31.249 ( 0.000 0.000 -2.660) 2.660 32.518 ( 0.000 0.000 -0.220) 0.220 32.659 ( 0.000 0.000 -2.012) 2.012 34.554 ( 0.000 0.000 4.235) 4.235 35.126 ( 0.000 0.000 -2.105) 2.105 ======================= Grid point 126 (38/144) ======================= q-point: ( 0.09 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 13.668 -8.472 18.247) 24.322 0.885 ( 13.562 -19.317 22.229) 32.422 1.540 ( 25.492 -11.026 44.862) 52.764 1.671 ( 41.570 9.586 -21.061) 47.576 1.932 ( 4.195 -3.041 -5.320) 7.426 2.234 ( -5.590 -0.001 34.674) 35.121 3.114 ( 15.080 1.791 2.329) 15.363 3.317 ( 0.226 -0.905 -13.665) 13.697 3.749 ( 11.525 5.926 -5.787) 14.192 3.820 ( 9.176 0.709 -1.073) 9.265 3.947 ( -0.963 0.780 16.616) 16.662 4.264 ( -6.479 -0.118 -10.848) 12.636 4.767 ( -5.938 7.176 1.823) 9.491 5.020 ( -7.165 -4.891 2.925) 9.155 5.163 ( 0.559 9.841 -0.853) 9.894 5.272 ( 8.145 5.711 -4.206) 10.801 5.434 ( 0.142 -7.878 -0.148) 7.881 5.747 ( 13.678 -0.576 -10.233) 17.092 6.171 ( 5.933 -7.805 -1.663) 9.944 6.813 ( -2.389 1.041 -1.434) 2.974 6.829 ( -1.583 0.578 0.232) 1.701 6.913 ( 0.287 3.622 -4.394) 5.702 7.202 ( -0.865 4.392 -4.910) 6.644 8.123 ( -16.642 -8.732 -6.755) 19.971 12.730 ( 2.291 1.335 1.321) 2.962 13.011 ( 0.834 -0.909 -0.901) 1.528 13.376 ( -0.374 0.978 1.800) 2.082 13.643 ( -0.826 0.615 -1.156) 1.548 17.313 ( 3.245 0.695 -2.907) 4.411 17.384 ( 0.139 -0.644 -0.657) 0.930 17.942 ( -4.250 8.778 7.398) 12.241 18.162 ( -5.581 -5.461 -0.123) 7.810 18.192 ( -0.719 0.092 0.162) 0.743 18.279 ( -1.959 -7.553 0.110) 7.803 28.363 ( -0.740 -1.425 -0.115) 1.610 28.383 ( -0.338 -0.717 -0.026) 0.794 30.836 ( 6.979 -0.732 2.495) 7.448 31.613 ( 32.656 9.333 -20.264) 39.549 32.522 ( -1.502 -3.276 -0.256) 3.613 32.676 ( 0.527 -2.968 -2.200) 3.732 34.498 ( -5.598 2.585 4.441) 7.599 34.746 ( -28.596 -2.220 17.964) 33.844 ======================= Grid point 127 (39/144) ======================= q-point: ( 0.18 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 14.142 -12.414 5.839) 19.703 1.330 ( 16.140 -16.592 16.599) 28.484 1.802 ( 3.734 6.758 21.094) 22.463 2.078 ( 14.820 0.634 5.632) 15.867 2.214 ( 22.974 -16.026 31.221) 41.945 2.365 ( 20.017 -3.879 -4.075) 20.792 3.298 ( 2.137 1.748 -5.330) 6.002 3.382 ( 14.402 -0.023 -4.385) 15.054 3.799 ( 4.039 8.032 2.881) 9.441 3.869 ( -0.481 3.863 6.790) 7.827 4.014 ( 3.700 3.252 -8.197) 9.563 4.131 ( -2.203 -0.197 0.819) 2.358 4.580 ( -7.007 4.538 7.542) 11.251 4.967 ( -7.839 -6.431 1.752) 10.289 5.065 ( 1.065 10.673 0.210) 10.728 5.301 ( 6.799 11.118 -3.988) 13.628 5.535 ( 2.806 -6.327 1.394) 7.060 5.905 ( 5.107 0.188 -7.976) 9.473 6.336 ( 4.691 -5.522 -9.039) 11.585 6.726 ( -2.741 6.230 0.072) 6.807 6.797 ( -2.694 -1.392 1.136) 3.239 6.899 ( 0.550 0.524 -4.083) 4.153 7.146 ( -1.508 2.693 -8.766) 9.294 7.926 ( -17.323 -6.901 -3.851) 19.041 12.760 ( 3.679 2.491 1.728) 4.768 13.024 ( -0.711 -1.747 0.342) 1.917 13.356 ( -0.817 0.987 1.674) 2.108 13.616 ( -1.394 1.056 -1.094) 2.062 17.348 ( 1.985 1.108 -2.651) 3.493 17.410 ( 1.972 -1.303 -2.715) 3.599 17.845 ( -1.944 1.808 5.536) 6.140 18.130 ( -3.224 -2.455 0.618) 4.099 18.176 ( -1.093 0.129 -0.040) 1.102 18.325 ( -1.149 -6.317 -0.675) 6.456 28.358 ( -0.909 -0.483 0.175) 1.044 28.385 ( -0.625 -1.124 -0.057) 1.287 31.000 ( 11.484 -1.158 2.772) 11.870 31.899 ( 19.205 15.336 -13.960) 28.265 32.538 ( -1.762 -4.843 -0.384) 5.168 32.748 ( 3.763 -4.760 -3.454) 6.982 34.316 ( -12.648 1.020 5.771) 13.940 34.471 ( -13.654 -5.818 11.331) 18.673 ======================= Grid point 128 (40/144) ======================= q-point: ( 0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 9.916 -7.877 2.041) 12.827 1.608 ( 6.083 -0.666 31.463) 32.053 1.921 ( 13.774 -6.530 16.302) 22.319 2.275 ( 8.731 -3.974 11.681) 15.115 2.696 ( 14.841 -13.739 1.849) 20.308 2.777 ( 20.648 -2.205 4.071) 21.161 3.326 ( 4.265 -3.395 -1.004) 5.543 3.623 ( 11.457 6.820 -8.640) 15.887 3.659 ( -7.527 4.631 6.516) 10.980 3.869 ( -1.064 1.981 4.422) 4.961 3.893 ( 5.106 3.050 1.338) 6.096 4.257 ( 7.925 5.009 2.201) 9.630 4.496 ( -1.848 -3.944 5.523) 7.033 4.893 ( -4.997 -1.000 -0.578) 5.128 4.992 ( -1.805 3.118 3.167) 4.796 5.278 ( 5.564 13.031 -4.105) 14.752 5.642 ( 4.641 -2.498 2.491) 5.830 5.912 ( -2.291 1.995 -0.997) 3.197 6.400 ( -1.088 0.101 -14.423) 14.465 6.640 ( -1.834 1.802 -2.899) 3.875 6.783 ( -0.739 -2.012 1.433) 2.578 6.911 ( 0.391 -0.978 -3.977) 4.114 7.099 ( -1.730 1.401 -10.315) 10.553 7.710 ( -15.233 -3.097 -0.547) 15.555 12.793 ( 3.796 3.101 2.047) 5.312 13.027 ( -1.370 -2.346 0.424) 2.750 13.332 ( -0.941 0.799 1.653) 2.063 13.580 ( -1.543 1.083 -1.015) 2.141 17.364 ( 1.135 0.427 -1.057) 1.609 17.465 ( 2.972 -1.173 -3.955) 5.085 17.817 ( -0.748 0.074 3.695) 3.770 18.109 ( -1.864 -1.624 1.117) 2.713 18.156 ( -1.135 0.118 -0.313) 1.183 18.366 ( -0.731 -4.662 -1.001) 4.824 28.347 ( -0.634 0.142 0.324) 0.726 28.385 ( -0.811 -1.151 -0.086) 1.411 31.210 ( 12.420 -1.131 2.774) 12.777 31.979 ( 8.896 11.479 -6.564) 15.937 32.558 ( -1.746 -4.511 -0.420) 4.855 32.892 ( 7.951 -4.432 -4.376) 10.100 34.101 ( -12.649 1.727 1.904) 12.907 34.346 ( -8.926 -4.922 7.768) 12.816 ======================= Grid point 129 (41/144) ======================= q-point: ( 0.36 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 7.324 -2.563 3.391) 8.468 1.713 ( 9.199 0.834 35.605) 36.783 2.181 ( 4.956 -7.463 22.139) 23.883 2.433 ( 6.041 -4.295 7.122) 10.279 2.910 ( 2.531 -1.278 -7.265) 7.799 3.014 ( 8.385 -2.097 -3.952) 9.504 3.340 ( -9.013 8.488 -0.050) 12.381 3.545 ( 4.855 -5.560 17.682) 19.161 3.750 ( 9.270 -0.962 -3.092) 9.820 3.979 ( 7.251 -2.601 5.744) 9.609 4.031 ( 10.328 -3.133 0.563) 10.807 4.262 ( 4.474 6.104 0.029) 7.568 4.546 ( 0.331 -3.371 0.257) 3.397 4.846 ( 0.083 3.136 -0.537) 3.183 4.939 ( -5.522 -5.046 3.076) 8.088 5.205 ( 2.785 15.347 -2.826) 15.851 5.716 ( 2.247 2.073 0.776) 3.154 5.851 ( 0.563 0.910 3.495) 3.655 6.313 ( -7.839 1.162 -13.620) 15.758 6.616 ( -1.168 -0.516 -8.886) 8.977 6.813 ( 1.194 -2.290 2.227) 3.410 6.927 ( 0.326 -0.815 -4.328) 4.416 7.062 ( -1.576 0.544 -9.932) 10.071 7.517 ( -10.294 -0.692 2.668) 10.656 12.818 ( 2.801 2.604 2.099) 4.363 13.028 ( -1.247 -2.010 0.143) 2.370 13.312 ( -0.700 0.504 1.676) 1.885 13.548 ( -1.216 0.776 -0.928) 1.715 17.378 ( 0.910 0.040 -0.335) 0.971 17.521 ( 2.397 -0.867 -3.844) 4.612 17.810 ( -0.307 -0.195 2.774) 2.798 18.101 ( -0.910 -1.140 1.563) 2.138 18.139 ( -0.825 0.071 -0.606) 1.026 18.395 ( -0.501 -2.838 -1.039) 3.063 28.337 ( -0.326 0.321 0.356) 0.580 28.382 ( -0.716 -0.842 -0.124) 1.112 31.405 ( 9.884 -0.851 2.298) 10.184 31.980 ( 3.054 6.454 -2.931) 7.718 32.572 ( -1.324 -3.207 -0.553) 3.514 33.087 ( 10.736 -3.764 -5.267) 12.537 33.866 ( -13.276 2.961 1.318) 13.666 34.277 ( -4.991 -3.374 5.292) 8.019 ======================= Grid point 130 (42/144) ======================= q-point: ( 0.45 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 3.128 -0.285 3.320) 4.570 1.862 ( 7.287 -0.236 38.220) 38.909 2.208 ( -4.079 -1.768 26.270) 26.643 2.559 ( 3.033 -3.301 2.234) 5.009 2.928 ( 1.155 1.670 -12.423) 12.587 3.087 ( 3.363 2.123 -1.151) 4.140 3.162 ( -6.786 0.585 4.921) 8.403 3.609 ( 1.693 -0.700 15.275) 15.385 3.981 ( 2.613 3.266 10.464) 11.269 4.027 ( 7.497 -11.360 -1.345) 13.677 4.228 ( 2.782 0.354 -4.042) 4.920 4.265 ( 1.659 3.805 -1.669) 4.474 4.627 ( 5.743 -6.083 -1.529) 8.504 4.785 ( -2.528 6.661 -1.233) 7.230 4.935 ( -4.651 -10.996 2.705) 12.242 5.064 ( 0.465 14.927 -1.962) 15.063 5.683 ( -1.192 1.245 0.404) 1.771 5.955 ( 10.505 0.339 -0.722) 10.536 6.143 ( -11.776 -0.053 -6.410) 13.408 6.606 ( -0.504 -0.176 -11.667) 11.679 6.847 ( 0.626 -0.914 1.688) 2.019 6.937 ( 0.241 -0.213 -5.049) 5.059 7.039 ( -0.728 0.043 -8.691) 8.722 7.407 ( -3.475 -0.005 4.021) 5.314 12.830 ( 1.034 1.017 2.033) 2.497 13.028 ( -0.504 -0.786 -0.063) 0.936 13.300 ( -0.252 0.168 1.698) 1.725 13.528 ( -0.465 0.279 -0.867) 1.023 17.389 ( 0.380 -0.030 0.008) 0.381 17.555 ( 0.904 -0.319 -3.599) 3.724 17.809 ( -0.089 -0.088 2.362) 2.366 18.100 ( -0.257 -0.430 1.879) 1.944 18.129 ( -0.293 0.016 -0.817) 0.869 18.408 ( -0.197 -0.946 -1.002) 1.392 28.331 ( -0.092 0.153 0.348) 0.391 28.380 ( -0.290 -0.308 -0.150) 0.449 31.529 ( 4.006 -0.371 1.633) 4.342 31.961 ( 0.372 2.107 -1.217) 2.462 32.580 ( -0.492 -1.165 -0.662) 1.427 33.300 ( 10.128 -2.869 -9.341) 14.073 33.629 ( -10.982 2.732 5.170) 12.442 34.247 ( -1.588 -1.153 4.034) 4.486 ======================= Grid point 137 (43/144) ======================= q-point: ( 0.09 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 14.626 -0.000 19.646) 24.493 1.151 ( 25.799 -0.000 13.609) 29.168 1.907 ( -2.575 0.000 19.138) 19.311 2.018 ( 33.174 -0.000 27.993) 43.406 2.206 ( 4.466 -0.000 12.550) 13.321 2.257 ( 25.910 -0.000 -13.519) 29.225 3.302 ( -2.050 0.000 -7.833) 8.097 3.391 ( 16.712 -0.000 0.540) 16.720 3.915 ( -3.346 0.000 6.993) 7.753 3.950 ( 7.692 -0.000 -3.732) 8.550 3.982 ( 11.263 -0.000 0.357) 11.269 4.130 ( -9.412 0.000 -9.966) 13.708 4.680 ( -10.226 0.000 2.187) 10.457 4.847 ( -8.890 0.000 12.041) 14.967 5.260 ( 1.764 -0.000 0.454) 1.821 5.405 ( 3.966 -0.000 1.459) 4.226 5.436 ( 6.543 -0.000 -6.771) 9.416 5.903 ( 5.279 -0.000 -4.911) 7.210 6.266 ( 8.272 -0.000 -14.078) 16.328 6.739 ( -5.131 0.000 -0.864) 5.203 6.813 ( -1.936 0.000 -4.383) 4.792 6.932 ( -0.501 0.000 -8.600) 8.615 7.216 ( -1.183 0.000 -3.068) 3.288 7.788 ( -16.646 0.000 2.817) 16.882 12.789 ( 3.958 -0.000 1.296) 4.165 13.005 ( -1.085 0.000 1.226) 1.637 13.376 ( -0.572 0.000 1.776) 1.866 13.627 ( -1.477 0.000 -1.088) 1.835 17.376 ( 3.477 -0.000 -6.509) 7.379 17.381 ( 0.196 -0.000 -0.507) 0.544 17.880 ( -6.043 0.000 6.202) 8.659 18.076 ( -0.394 0.000 0.716) 0.817 18.177 ( -1.215 0.000 0.187) 1.229 18.250 ( 0.724 -0.000 0.877) 1.137 28.352 ( -0.167 0.000 0.229) 0.283 28.372 ( -0.524 0.000 -0.007) 0.524 30.988 ( 11.719 -0.000 3.022) 12.103 32.123 ( 16.842 -0.000 -26.486) 31.387 32.510 ( 4.372 -0.000 -3.393) 5.534 32.659 ( 0.240 -0.000 -2.611) 2.622 34.302 ( -18.851 0.000 27.115) 33.024 34.399 ( -9.034 0.000 4.126) 9.932 ======================= Grid point 138 (44/144) ======================= q-point: ( 0.18 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 14.559 -9.636 11.629) 20.977 1.568 ( 21.359 -1.670 14.746) 26.008 1.889 ( 3.877 1.173 30.817) 31.082 2.289 ( 9.178 4.602 2.585) 10.587 2.507 ( 22.120 -5.101 3.958) 23.043 2.695 ( 23.501 -4.455 6.590) 24.811 3.262 ( -2.226 -2.075 0.274) 3.055 3.633 ( 12.451 0.641 -3.538) 12.959 3.832 ( -5.409 1.593 4.299) 7.090 3.922 ( -9.367 4.920 -13.806) 17.395 4.015 ( 6.456 8.083 0.483) 10.356 4.234 ( 10.996 -6.194 4.075) 13.262 4.498 ( -7.212 2.571 8.529) 11.461 4.736 ( -9.872 -6.453 10.933) 16.082 5.224 ( 2.800 11.321 0.309) 11.666 5.464 ( 2.955 2.091 -4.397) 5.695 5.559 ( 7.279 -2.540 0.634) 7.735 5.931 ( -1.737 0.065 -0.551) 1.823 6.377 ( 3.585 -1.312 -18.449) 18.839 6.660 ( -5.533 -1.041 -2.740) 6.261 6.773 ( -1.598 0.966 -2.548) 3.158 6.912 ( -0.670 1.022 -8.528) 8.615 7.166 ( -1.052 4.800 -3.824) 6.227 7.579 ( -14.999 -7.653 2.804) 17.070 12.849 ( 4.353 1.958 1.428) 4.982 12.984 ( -2.088 -1.588 1.939) 3.262 13.358 ( -0.728 1.174 1.693) 2.185 13.598 ( -1.761 0.492 -1.015) 2.091 17.381 ( 0.881 1.123 -0.983) 1.733 17.437 ( 2.740 -1.444 -5.153) 6.012 17.818 ( -1.898 0.007 3.550) 4.025 18.078 ( -0.522 -1.155 0.570) 1.390 18.156 ( -1.352 -0.050 0.165) 1.363 18.280 ( 0.965 -2.769 0.081) 2.933 28.350 ( -0.130 0.105 0.218) 0.275 28.366 ( -0.662 -0.595 0.043) 0.891 31.195 ( 12.935 -0.379 3.357) 13.369 32.180 ( -0.409 5.411 -10.707) 12.003 32.583 ( 6.205 7.761 -3.717) 10.609 32.773 ( 8.597 -7.915 -8.147) 14.245 34.100 ( -9.940 -1.778 13.825) 17.120 34.242 ( -11.168 -2.976 6.774) 13.397 ======================= Grid point 139 (45/144) ======================= q-point: ( 0.27 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 12.490 -6.237 7.110) 15.667 1.809 ( 12.722 5.119 26.404) 29.753 2.034 ( 8.101 -4.773 25.512) 27.189 2.397 ( 7.712 1.875 5.542) 9.680 2.840 ( 12.482 -3.737 -5.323) 14.075 2.966 ( 5.376 -2.851 -0.403) 6.098 3.371 ( 8.974 -6.801 11.246) 15.914 3.568 ( -12.084 10.200 -1.720) 15.907 3.782 ( 2.075 2.485 -7.682) 8.336 3.876 ( 4.039 -6.039 2.670) 7.740 4.054 ( 6.781 3.415 1.339) 7.709 4.364 ( 1.608 2.846 6.895) 7.631 4.495 ( 6.584 -2.314 3.459) 7.789 4.657 ( -9.349 -9.786 6.351) 14.950 5.137 ( 1.942 13.513 0.191) 13.653 5.457 ( 2.469 7.971 -5.014) 9.735 5.704 ( 6.039 -2.844 2.981) 7.310 5.859 ( -5.320 0.139 3.062) 6.140 6.361 ( -5.511 2.895 -21.503) 22.386 6.598 ( -2.297 -1.228 -5.047) 5.679 6.770 ( 0.934 -1.524 0.459) 1.846 6.901 ( -0.706 -1.050 -8.645) 8.737 7.106 ( -0.726 3.767 -4.766) 6.118 7.441 ( -10.928 -6.459 4.019) 13.315 12.874 ( 1.492 2.854 2.017) 3.800 12.984 ( -0.169 -2.361 1.095) 2.608 13.333 ( -0.587 1.373 1.612) 2.197 13.564 ( -1.515 0.699 -0.941) 1.916 17.387 ( 1.011 0.826 -0.504) 1.399 17.493 ( 2.130 -1.752 -4.023) 4.878 17.803 ( -0.436 -0.376 2.150) 2.226 18.083 ( 0.065 -0.691 0.769) 1.036 18.136 ( -1.133 -0.141 0.117) 1.147 18.328 ( 1.016 -3.171 -0.534) 3.372 28.344 ( -0.297 0.347 0.256) 0.523 28.364 ( -0.375 -0.821 0.026) 0.903 31.393 ( 10.433 -0.389 3.119) 10.896 32.095 ( -3.471 3.743 -5.556) 7.545 32.599 ( 4.929 5.764 -1.750) 7.783 33.008 ( 12.226 -4.110 -7.509) 14.925 33.924 ( -11.681 2.915 3.466) 12.529 34.152 ( -6.755 -7.918 8.720) 13.578 ======================= Grid point 140 (46/144) ======================= q-point: ( 0.36 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 7.380 0.938 7.516) 10.575 1.958 ( 13.153 5.801 30.288) 33.526 2.133 ( -1.696 -4.011 25.018) 25.394 2.496 ( 5.792 -0.843 5.526) 8.049 2.929 ( -2.199 -1.485 -8.092) 8.516 3.098 ( 7.771 -0.206 -2.274) 8.099 3.272 ( -10.411 8.777 2.117) 13.780 3.518 ( -0.149 -6.025 11.274) 12.784 3.845 ( 2.343 -6.465 -2.188) 7.216 4.008 ( 5.739 -1.074 9.246) 10.935 4.181 ( 6.967 -5.866 -3.560) 9.778 4.356 ( 1.507 3.592 1.524) 4.183 4.596 ( 6.486 2.787 2.038) 7.348 4.646 ( -6.448 -11.794 2.040) 13.595 5.002 ( -2.786 12.287 -0.695) 12.618 5.369 ( -0.807 12.292 -2.460) 12.562 5.693 ( -5.472 -0.124 1.173) 5.598 5.918 ( 6.966 -4.901 4.310) 9.546 6.187 ( -8.673 5.339 -15.951) 18.925 6.598 ( 0.220 -0.937 -9.671) 9.719 6.813 ( 1.417 -2.089 0.659) 2.609 6.906 ( -0.911 -2.345 -9.237) 9.574 7.072 ( 0.637 2.707 -3.877) 4.771 7.362 ( -5.386 -4.247 4.894) 8.426 12.850 ( -1.636 0.869 2.258) 2.921 13.015 ( 1.836 -0.473 0.197) 1.906 13.314 ( -0.156 1.093 1.601) 1.944 13.538 ( -0.770 0.611 -0.876) 1.317 17.394 ( 0.641 0.534 -0.117) 0.842 17.535 ( 0.863 -1.528 -3.332) 3.766 17.804 ( 0.060 -0.236 1.639) 1.657 18.095 ( 0.644 -0.411 0.801) 1.106 18.124 ( -0.540 -0.170 0.185) 0.596 18.373 ( 1.120 -2.227 -0.679) 2.583 28.335 ( -0.348 0.235 0.304) 0.519 28.370 ( 0.139 -0.600 -0.060) 0.619 31.522 ( 4.649 -0.254 2.254) 5.173 32.004 ( -4.152 1.755 -3.104) 5.473 32.629 ( 5.824 5.633 -1.156) 8.185 33.247 ( 12.793 -2.398 -7.838) 15.194 33.691 ( -12.124 3.451 4.193) 13.285 34.155 ( -3.071 -7.466 5.398) 9.711 ======================= Grid point 141 (47/144) ======================= q-point: ( 0.45 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -3.791 2.132 19.210) 19.696 2.012 ( 3.185 12.452 22.880) 26.243 2.194 ( 6.794 -3.510 21.882) 23.180 2.586 ( 2.631 -0.016 4.650) 5.343 2.874 ( -6.001 -3.365 -8.508) 10.942 3.063 ( -6.177 1.719 -0.934) 6.480 3.203 ( 5.238 2.900 4.593) 7.546 3.537 ( -4.249 -6.015 12.932) 14.882 3.880 ( -5.739 -6.735 6.621) 11.052 4.138 ( 7.486 -2.170 1.685) 7.975 4.259 ( -4.460 9.150 -4.991) 11.337 4.324 ( 0.539 -0.226 -1.721) 1.818 4.663 ( -4.067 -10.791 -0.024) 11.531 4.698 ( 4.694 -2.022 2.566) 5.719 4.799 ( -8.644 6.475 -1.998) 10.983 5.226 ( 0.834 12.066 -1.580) 12.197 5.641 ( -2.899 -2.862 -0.066) 4.074 5.952 ( -9.863 -0.846 -0.119) 9.900 6.140 ( 10.057 0.696 -7.260) 12.423 6.615 ( 1.425 0.536 -10.796) 10.902 6.845 ( 0.394 -1.022 0.462) 1.189 6.914 ( -0.999 -2.167 -9.088) 9.396 7.069 ( 2.144 2.492 -3.664) 4.922 7.363 ( 0.773 -3.990 4.875) 6.347 12.811 ( -3.071 -0.840 2.267) 3.908 13.046 ( 2.213 0.941 -0.415) 2.440 13.307 ( 0.483 0.767 1.641) 1.875 13.529 ( 0.220 0.327 -0.846) 0.933 17.394 ( -0.134 0.395 -0.003) 0.417 17.549 ( -0.778 -0.872 -3.080) 3.294 17.808 ( 0.229 -0.020 1.662) 1.678 18.110 ( 0.488 -0.493 -0.017) 0.694 18.123 ( 0.616 0.345 0.923) 1.162 18.408 ( 1.276 -0.832 -0.625) 1.647 28.330 ( -0.104 0.040 0.357) 0.374 28.381 ( 0.667 -0.219 -0.162) 0.720 31.536 ( -3.097 0.273 1.357) 3.392 31.931 ( -4.238 -0.764 -1.673) 4.620 32.668 ( 6.897 7.054 -0.850) 9.902 33.363 ( -5.581 3.204 -9.791) 11.717 33.582 ( 7.439 -1.773 7.085) 10.425 34.198 ( -0.032 -5.816 3.336) 6.705 ======================= Grid point 142 (48/144) ======================= q-point: (-0.45 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -8.260 0.132 31.896) 32.948 1.900 ( 1.015 15.546 8.844) 17.914 2.295 ( 2.258 3.352 22.849) 23.203 2.513 ( -8.162 3.364 3.921) 9.659 2.854 ( -3.081 -5.314 -7.466) 9.668 3.010 ( -3.629 -3.699 -3.631) 6.327 3.248 ( 3.241 -0.291 7.694) 8.353 3.534 ( -1.742 -5.046 13.404) 14.428 3.821 ( -9.609 -0.582 7.624) 12.280 4.035 ( -7.052 8.003 -3.867) 11.345 4.158 ( -10.188 3.215 -0.507) 10.695 4.207 ( -6.781 5.506 -0.683) 8.761 4.607 ( -1.157 1.519 -2.955) 3.518 4.761 ( -0.141 -1.297 2.411) 2.741 4.807 ( -2.615 -17.080 0.558) 17.288 5.180 ( 6.101 9.581 -2.359) 11.601 5.642 ( -2.494 -4.769 -0.895) 5.456 5.828 ( -4.328 -0.831 3.792) 5.814 6.291 ( 6.425 -1.776 -10.319) 12.285 6.630 ( 1.407 1.134 -9.710) 9.876 6.846 ( -0.320 0.721 1.158) 1.401 6.919 ( -0.558 -1.360 -7.118) 7.268 7.083 ( 2.365 2.283 -5.780) 6.650 7.476 ( 7.900 -4.338 3.710) 9.747 12.770 ( -3.751 -2.038 2.350) 4.873 13.067 ( 2.021 1.790 -0.820) 2.821 13.314 ( 1.227 0.628 1.637) 2.140 13.538 ( 1.046 -0.067 -0.883) 1.371 17.381 ( -0.891 0.296 -0.226) 0.965 17.529 ( -2.192 -0.060 -3.064) 3.768 17.812 ( 0.273 0.090 2.108) 2.128 18.122 ( 0.465 -0.579 -0.665) 0.996 18.134 ( 1.429 0.929 1.332) 2.164 18.431 ( 1.352 0.653 -0.578) 1.608 28.332 ( 0.385 -0.109 0.414) 0.576 28.395 ( 1.050 0.294 -0.228) 1.114 31.425 ( -9.110 1.048 1.381) 9.274 31.873 ( -6.132 -3.689 -1.667) 7.348 32.703 ( 7.193 8.924 -0.718) 11.484 33.167 ( -10.261 4.201 -3.038) 11.496 33.805 ( 13.582 -2.886 1.248) 13.941 34.273 ( 3.280 -3.769 2.492) 5.583 ======================= Grid point 143 (49/144) ======================= q-point: (-0.36 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -3.476 0.045 32.521) 32.706 1.736 ( -0.956 15.422 6.387) 16.720 2.105 ( -15.539 9.905 9.467) 20.717 2.367 ( -6.623 3.633 17.430) 18.997 2.740 ( -19.443 -4.330 -3.826) 20.284 2.984 ( 1.890 7.268 -3.197) 8.162 3.369 ( 3.155 -9.732 2.016) 10.428 3.440 ( -13.737 8.547 8.516) 18.283 3.702 ( 3.382 -1.131 4.688) 5.890 3.840 ( -8.597 5.828 3.724) 11.034 3.912 ( -12.605 1.700 0.705) 12.739 4.099 ( -6.769 -7.294 0.731) 9.978 4.618 ( 2.579 5.677 -0.395) 6.248 4.756 ( -0.750 -4.008 2.268) 4.666 4.916 ( -5.907 -16.642 -1.090) 17.693 5.193 ( 6.312 8.264 -1.779) 10.550 5.634 ( -3.280 -2.982 0.897) 4.523 5.847 ( 1.795 -4.283 2.121) 5.106 6.373 ( 1.483 -2.285 -11.812) 12.122 6.632 ( -0.241 0.667 -7.334) 7.368 6.828 ( 0.202 2.007 2.033) 2.864 6.921 ( -0.361 -0.284 -4.757) 4.779 7.100 ( 2.099 1.320 -8.374) 8.733 7.695 ( 13.355 -3.923 0.375) 13.925 12.732 ( -3.890 -2.757 2.436) 5.355 13.075 ( 1.528 2.299 -1.026) 2.946 13.333 ( 1.911 0.742 1.466) 2.520 13.562 ( 1.398 -0.537 -0.984) 1.792 17.360 ( -1.487 0.004 -0.766) 1.672 17.484 ( -2.727 0.702 -2.855) 4.010 17.816 ( 0.281 0.018 2.910) 2.924 18.138 ( 1.120 0.014 -0.382) 1.184 18.150 ( 1.507 0.557 0.772) 1.783 18.438 ( 1.376 2.148 -0.628) 2.627 28.344 ( 1.005 -0.095 0.433) 1.099 28.407 ( 1.139 0.882 -0.233) 1.459 31.239 ( -11.733 1.593 1.922) 11.996 31.794 ( -10.226 -6.259 -2.883) 12.331 32.715 ( 6.330 10.222 -0.672) 12.042 32.975 ( -8.030 4.031 -1.269) 9.074 34.050 ( 12.736 -2.920 0.752) 13.088 34.382 ( 6.912 -1.673 2.510) 7.542 ======================= Grid point 144 (50/144) ======================= q-point: (-0.27 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -7.895 13.728 6.763) 17.220 1.644 ( 1.180 10.286 18.293) 21.019 1.705 ( -17.115 1.966 14.664) 22.623 2.151 ( -14.811 6.241 22.581) 27.716 2.409 ( -19.155 0.840 -3.255) 19.448 2.732 ( -10.555 30.890 13.680) 35.394 3.209 ( -11.789 -5.968 0.725) 13.233 3.383 ( -6.704 -1.171 -9.407) 11.611 3.693 ( -4.402 -1.695 1.518) 4.955 3.798 ( -0.269 -1.887 7.944) 8.170 3.892 ( 3.770 -7.316 -1.124) 8.306 4.068 ( -2.985 -6.955 5.298) 9.239 4.588 ( 3.173 5.323 3.267) 7.005 4.833 ( 1.472 -8.157 -0.289) 8.294 4.955 ( -8.520 -14.534 -3.058) 17.122 5.214 ( 5.578 6.640 -0.031) 8.672 5.604 ( -1.893 0.414 1.562) 2.489 5.892 ( -2.047 -1.748 -5.976) 6.554 6.399 ( -0.544 -1.138 -6.648) 6.767 6.614 ( -1.634 -1.765 -2.009) 3.134 6.824 ( 1.488 1.239 1.442) 2.414 6.912 ( -0.470 0.678 -3.567) 3.662 7.125 ( 1.839 0.070 -9.538) 9.714 7.963 ( 14.845 -2.776 -4.429) 15.738 12.702 ( -3.424 -2.973 2.316) 5.092 13.069 ( 0.797 2.550 -1.187) 2.923 13.358 ( 2.188 1.074 1.032) 2.647 13.592 ( 1.244 -1.039 -1.089) 1.953 17.333 ( -2.287 -0.512 -1.410) 2.735 17.435 ( -1.844 1.232 -1.929) 2.939 17.822 ( 0.359 -0.483 4.100) 4.144 18.160 ( 1.633 0.014 -0.331) 1.666 18.171 ( 1.568 0.347 0.500) 1.682 18.434 ( 1.746 3.570 -0.838) 4.061 28.365 ( 1.586 0.171 0.295) 1.622 28.412 ( 0.907 1.383 -0.186) 1.664 31.032 ( -11.046 1.888 2.265) 11.432 31.660 ( -15.244 -7.508 -4.819) 17.663 32.698 ( 4.304 10.250 -0.670) 11.137 32.831 ( -4.702 3.866 -0.132) 6.089 34.269 ( 10.185 -3.145 1.559) 10.773 34.535 ( 10.920 -0.313 3.145) 11.368 ======================= Grid point 145 (51/144) ======================= q-point: (-0.18 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -19.346 12.535 6.039) 23.830 1.298 ( -9.366 18.510 14.422) 25.265 1.587 ( -22.097 4.956 12.370) 25.804 1.898 ( -0.501 7.914 12.123) 14.486 2.157 ( -12.719 22.400 10.048) 27.649 2.235 ( -3.313 9.245 32.301) 33.761 3.042 ( -14.278 -5.247 2.037) 15.347 3.348 ( 1.291 1.816 -13.403) 13.587 3.625 ( -8.179 -5.516 -1.023) 9.918 3.773 ( -7.373 -3.109 0.638) 8.027 3.925 ( 0.635 -1.728 13.744) 13.867 4.242 ( 9.482 -3.556 -5.009) 11.298 4.640 ( 5.172 -2.743 4.771) 7.552 4.950 ( -3.691 -11.535 -4.340) 12.865 4.958 ( -3.194 -12.443 -2.999) 13.192 5.231 ( 3.806 5.690 2.751) 7.378 5.569 ( 0.412 3.475 0.093) 3.501 5.790 ( -8.926 3.702 -13.287) 16.430 6.352 ( -1.740 6.940 -1.557) 7.322 6.654 ( -0.199 -8.926 5.590) 10.534 6.844 ( 1.441 0.101 0.365) 1.490 6.896 ( -0.321 0.918 -3.267) 3.409 7.155 ( 1.243 -0.796 -9.170) 9.288 8.210 ( 12.088 -1.529 -10.282) 15.943 12.685 ( -2.152 -2.748 1.906) 3.977 13.049 ( -0.065 2.641 -1.587) 3.082 13.377 ( 1.533 1.317 0.430) 2.066 13.621 ( 0.738 -1.367 -1.140) 1.926 17.298 ( -2.479 -0.655 -0.849) 2.701 17.404 ( -0.482 1.228 -0.871) 1.581 17.842 ( 0.553 -2.149 5.871) 6.276 18.185 ( 0.632 -0.786 -0.448) 1.103 18.196 ( 2.207 0.568 0.463) 2.325 18.428 ( 2.869 4.610 -1.707) 5.692 28.389 ( 1.696 0.723 -0.317) 1.871 28.408 ( 0.493 1.576 -0.110) 1.655 30.863 ( -6.943 1.799 2.317) 7.537 31.449 ( -17.987 -4.635 -5.763) 19.448 32.649 ( 1.916 8.786 -0.614) 9.013 32.743 ( -1.620 3.567 0.492) 3.948 34.433 ( 5.551 -3.606 2.780) 7.180 34.750 ( 13.925 -2.414 3.644) 14.595 ======================= Grid point 146 (52/144) ======================= q-point: (-0.09 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -0.000 6.715 19.993) 21.090 1.012 ( -0.000 26.145 21.960) 34.144 1.110 ( -0.000 13.418 4.493) 14.150 1.602 ( -0.000 35.354 40.884) 54.050 1.931 ( -0.000 4.319 -11.658) 12.433 2.278 ( 0.000 -4.925 43.862) 44.137 2.945 ( 0.000 -2.999 0.393) 3.025 3.335 ( -0.000 2.799 -14.632) 14.897 3.575 ( 0.000 -2.729 -0.025) 2.729 3.729 ( 0.000 -2.336 -0.761) 2.456 3.947 ( 0.000 -0.877 18.578) 18.599 4.327 ( -0.000 0.762 -9.667) 9.697 4.755 ( 0.000 -5.909 2.947) 6.603 5.023 ( 0.000 -15.011 -8.050) 17.033 5.072 ( 0.000 -9.425 -3.528) 10.064 5.201 ( -0.000 6.481 6.258) 9.010 5.571 ( -0.000 12.207 -13.539) 18.229 5.586 ( -0.000 0.333 0.890) 0.950 6.234 ( -0.000 11.390 1.617) 11.504 6.757 ( 0.000 -9.864 6.462) 11.792 6.857 ( -0.000 0.388 0.284) 0.481 6.888 ( 0.000 -0.106 -3.103) 3.105 7.178 ( 0.000 -1.905 -7.959) 8.184 8.332 ( -0.000 1.301 -16.464) 16.516 12.692 ( 0.000 -2.238 1.488) 2.687 13.018 ( -0.000 2.534 -1.925) 3.182 13.379 ( -0.000 0.632 0.698) 0.941 13.641 ( 0.000 -1.212 -1.172) 1.686 17.279 ( 0.000 -0.295 0.654) 0.717 17.390 ( -0.000 0.864 -0.535) 1.016 17.888 ( 0.000 -5.975 7.628) 9.690 18.195 ( 0.000 -0.359 0.008) 0.359 18.216 ( 0.000 -0.054 0.011) 0.055 18.415 ( -0.000 5.921 -4.390) 7.371 28.392 ( -0.000 1.556 -0.935) 1.816 28.399 ( -0.000 1.471 -0.488) 1.550 30.788 ( -0.000 1.310 2.346) 2.687 31.264 ( -0.000 1.427 -2.661) 3.019 32.586 ( -0.000 6.498 -0.394) 6.510 32.699 ( -0.000 2.848 -0.294) 2.864 34.514 ( 0.000 -3.263 3.642) 4.890 34.969 ( 0.000 -9.226 2.103) 9.463 ======================= Grid point 149 (53/144) ======================= q-point: ( 0.18 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 16.347 -0.000 9.966) 19.145 1.865 ( 13.088 -0.000 16.672) 21.195 1.999 ( 9.861 -0.000 34.971) 36.335 2.449 ( 7.235 -0.000 1.368) 7.363 2.791 ( 16.552 -0.000 -7.796) 18.296 2.926 ( 4.934 -0.000 3.854) 6.260 3.292 ( 8.702 -0.000 13.017) 15.658 3.742 ( -4.251 0.000 -6.489) 7.757 3.753 ( -2.846 0.000 -0.173) 2.851 3.813 ( -2.017 0.000 -9.556) 9.767 4.119 ( -3.934 0.000 0.225) 3.941 4.343 ( 9.240 -0.000 7.682) 12.016 4.484 ( 6.288 -0.000 6.579) 9.100 4.559 ( -8.276 0.000 12.844) 15.279 5.328 ( 1.257 -0.000 0.301) 1.292 5.501 ( 2.074 -0.000 -5.302) 5.693 5.672 ( 7.201 -0.000 1.863) 7.438 5.860 ( -6.953 0.000 2.592) 7.421 6.392 ( -1.799 0.000 -25.124) 25.188 6.581 ( -3.236 0.000 -3.696) 4.913 6.757 ( -0.238 0.000 -1.894) 1.909 6.893 ( -2.006 0.000 -11.809) 11.978 7.185 ( -0.563 0.000 -0.774) 0.957 7.324 ( -10.374 0.000 6.749) 12.376 12.927 ( -3.441 0.000 2.668) 4.354 12.936 ( 4.655 -0.000 0.822) 4.727 13.351 ( -0.833 0.000 1.556) 1.765 13.572 ( -1.645 0.000 -0.932) 1.890 17.402 ( 0.948 -0.000 -0.419) 1.037 17.467 ( 2.008 -0.000 -4.118) 4.582 17.799 ( -0.335 0.000 1.612) 1.647 18.075 ( 0.296 -0.000 -0.308) 0.427 18.136 ( -0.912 0.000 0.819) 1.226 18.291 ( 1.885 -0.000 0.169) 1.893 28.351 ( -0.726 0.000 0.156) 0.742 28.352 ( 0.212 -0.000 0.145) 0.257 31.389 ( 10.620 -0.000 3.412) 11.155 32.128 ( -5.948 0.000 -6.122) 8.536 32.705 ( 3.339 -0.000 -3.797) 5.056 32.943 ( 15.760 -0.000 -9.485) 18.394 33.987 ( -4.342 0.000 11.502) 12.294 34.021 ( -13.374 0.000 5.077) 14.305 ======================= Grid point 150 (54/144) ======================= q-point: ( 0.27 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 14.822 -2.223 8.027) 17.002 1.963 ( -0.027 -1.450 21.881) 21.929 2.173 ( 12.250 3.907 32.447) 34.902 2.533 ( 5.307 2.673 3.152) 6.726 2.891 ( -3.675 -1.488 -3.538) 5.313 3.083 ( 13.494 -0.991 -1.704) 13.637 3.368 ( -4.576 -1.163 8.920) 10.093 3.554 ( -3.706 10.809 -3.006) 11.815 3.753 ( -6.426 -2.346 -2.684) 7.349 3.883 ( 6.633 -11.115 -2.377) 13.160 4.062 ( -1.022 -2.809 8.002) 8.542 4.421 ( -5.837 1.256 9.260) 11.018 4.500 ( 5.702 -1.981 0.919) 6.106 4.638 ( 10.048 0.757 2.511) 10.384 5.253 ( -4.014 9.663 -0.785) 10.493 5.514 ( -0.794 1.248 -6.577) 6.741 5.700 ( -9.186 1.568 3.647) 10.007 5.808 ( 4.675 -4.273 4.768) 7.928 6.305 ( -5.208 4.324 -24.262) 25.189 6.567 ( 0.647 -1.618 -5.124) 5.412 6.778 ( 1.779 -1.051 -0.600) 2.152 6.862 ( -2.297 -1.458 -12.959) 13.241 7.142 ( -0.116 4.257 1.706) 4.588 7.253 ( -4.183 -5.724 6.183) 9.407 12.863 ( -3.843 0.357 2.712) 4.717 13.009 ( 3.843 -0.170 0.176) 3.850 13.335 ( -0.459 0.713 1.479) 1.705 13.549 ( -0.942 0.297 -0.865) 1.313 17.410 ( 0.639 0.853 -0.328) 1.115 17.500 ( 0.987 -1.486 -2.729) 3.260 17.802 ( 0.516 -0.006 0.609) 0.798 18.080 ( -0.199 -0.682 -1.330) 1.508 18.130 ( 0.520 0.434 1.901) 2.018 18.333 ( 2.254 -1.292 0.046) 2.599 28.339 ( -0.497 0.158 0.246) 0.576 28.359 ( 0.400 -0.347 0.045) 0.532 31.519 ( 4.906 -0.077 2.659) 5.581 32.026 ( -6.119 0.468 -4.721) 7.742 32.758 ( 7.055 4.987 -3.402) 9.285 33.206 ( 15.227 -1.381 -6.656) 16.675 33.773 ( -12.409 4.410 5.588) 14.306 33.982 ( -3.478 -7.829 6.337) 10.656 ======================= Grid point 151 (55/144) ======================= q-point: ( 0.36 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -4.194 3.743 24.206) 24.850 2.063 ( 8.667 -7.791 11.262) 16.206 2.281 ( 10.063 11.469 22.993) 27.595 2.598 ( 5.811 1.355 8.030) 10.004 2.808 ( -8.744 -2.695 -3.827) 9.918 3.143 ( -13.019 1.899 5.571) 14.288 3.262 ( 6.436 6.013 -0.302) 8.813 3.478 ( -1.245 2.465 5.097) 5.797 3.717 ( -4.459 -9.085 2.472) 10.418 4.084 ( -1.227 -17.792 -0.653) 17.846 4.139 ( 6.954 1.431 4.329) 8.316 4.330 ( -5.199 -3.519 3.397) 7.138 4.564 ( 1.380 3.936 -4.524) 6.154 4.762 ( 7.037 2.332 1.101) 7.494 5.017 ( -10.208 12.376 -1.140) 16.084 5.422 ( -4.262 6.741 -2.389) 8.326 5.572 ( -6.343 -3.554 -0.306) 7.277 5.889 ( -2.295 -3.960 4.013) 6.087 6.211 ( 1.823 5.049 -15.377) 16.287 6.616 ( 3.203 -0.533 -7.162) 7.863 6.817 ( 1.199 -1.341 -2.402) 3.001 6.856 ( -1.290 -3.216 -12.393) 12.868 7.125 ( 2.138 2.793 2.055) 4.073 7.267 ( -0.335 -4.775 6.189) 7.824 12.798 ( -4.268 -0.454 2.682) 5.061 13.063 ( 3.189 0.640 -0.640) 3.314 13.326 ( 0.318 0.857 1.491) 1.749 13.538 ( 0.183 0.462 -0.826) 0.964 17.406 ( -0.191 0.758 -0.153) 0.797 17.522 ( -0.277 -1.519 -2.205) 2.692 17.811 ( 0.741 0.312 0.310) 0.862 18.083 ( -0.696 -1.458 -1.699) 2.345 18.143 ( 1.806 0.987 2.328) 3.107 18.383 ( 2.175 -1.315 0.065) 2.542 28.332 ( -0.100 0.210 0.318) 0.394 28.373 ( 0.802 -0.457 -0.089) 0.927 31.539 ( -2.410 0.114 1.527) 2.855 31.925 ( -6.007 0.017 -3.526) 6.966 32.832 ( 9.750 7.732 -2.468) 12.686 33.426 ( 5.765 2.728 -7.417) 9.782 33.567 ( -2.472 0.769 8.398) 8.788 34.033 ( -1.196 -9.414 2.834) 9.904 ======================= Grid point 152 (56/144) ======================= q-point: (-0.55 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -7.608 3.257 34.344) 35.327 2.222 ( 6.134 10.071 2.972) 12.161 2.313 ( 7.431 2.699 17.897) 19.565 2.580 ( -9.412 2.590 4.289) 10.662 2.756 ( -0.772 -3.261 3.697) 4.990 2.932 ( -9.489 -2.234 -0.804) 9.782 3.259 ( -2.352 0.002 7.544) 7.902 3.452 ( -0.339 -0.790 7.690) 7.738 3.728 ( -3.227 -4.456 6.665) 8.642 4.152 ( -5.175 -1.679 1.019) 5.535 4.213 ( -6.846 -6.275 -1.729) 9.446 4.275 ( -4.514 -0.020 -0.449) 4.537 4.485 ( -4.505 -0.610 -4.957) 6.726 4.700 ( -8.089 5.475 -3.464) 10.363 4.868 ( 7.449 8.652 3.316) 11.888 5.336 ( 1.987 5.168 -2.281) 5.988 5.534 ( -4.594 -5.365 -1.402) 7.200 5.821 ( -6.204 -0.225 4.623) 7.740 6.250 ( 3.004 -1.320 -11.408) 11.871 6.658 ( 2.214 1.264 -7.794) 8.201 6.844 ( 0.661 -0.845 -4.836) 4.954 6.878 ( -0.040 -2.570 -8.776) 9.145 7.139 ( 2.669 2.878 0.453) 3.951 7.363 ( 5.974 -6.013 5.868) 10.309 12.736 ( -4.374 -1.280 2.716) 5.305 13.099 ( 2.555 1.349 -1.395) 3.209 13.330 ( 1.294 0.791 1.511) 2.141 13.545 ( 1.267 0.611 -0.855) 1.646 17.389 ( -1.176 0.395 -0.168) 1.252 17.520 ( -1.417 -0.728 -2.078) 2.618 17.818 ( 0.658 0.571 0.516) 1.013 18.090 ( -0.476 -1.944 -1.767) 2.670 18.163 ( 2.010 1.339 2.222) 3.282 18.427 ( 1.807 -0.788 0.168) 1.978 28.333 ( 0.509 0.224 0.389) 0.679 28.394 ( 1.233 -0.332 -0.221) 1.296 31.444 ( -8.391 0.736 0.998) 8.483 31.828 ( -6.884 -1.053 -2.602) 7.435 32.903 ( 9.639 9.725 -2.160) 13.862 33.267 ( -9.020 6.144 1.272) 10.988 33.752 ( 13.779 -2.236 1.243) 14.015 34.134 ( 1.892 -9.358 0.579) 9.565 ======================= Grid point 153 (57/144) ======================= q-point: (-0.45 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -2.007 2.657 38.976) 39.118 2.108 ( -1.285 17.885 0.597) 17.941 2.287 ( -12.672 7.221 6.011) 15.775 2.413 ( -1.999 1.181 15.204) 15.381 2.643 ( -15.060 -3.311 -3.374) 15.785 2.953 ( 1.720 -6.072 1.650) 6.523 3.242 ( -1.356 -4.251 8.455) 9.560 3.488 ( 1.299 -3.522 5.685) 6.812 3.719 ( -1.530 -1.284 10.912) 11.093 3.937 ( -18.201 1.753 -0.052) 18.285 3.995 ( -8.888 9.764 -4.329) 13.895 4.126 ( -10.745 6.441 0.355) 12.533 4.536 ( -4.149 -16.489 -0.779) 17.020 4.648 ( 4.035 1.712 -2.281) 4.941 4.873 ( 3.924 10.021 3.003) 11.173 5.346 ( 4.508 5.699 -3.488) 8.060 5.533 ( -2.866 -6.708 -0.953) 7.356 5.762 ( -2.296 -3.341 5.832) 7.102 6.295 ( -1.689 -5.137 -11.639) 12.834 6.662 ( 0.249 1.877 -7.751) 7.979 6.851 ( -0.022 0.340 -4.369) 4.382 6.903 ( 0.420 -1.532 -5.500) 5.725 7.147 ( 2.050 3.045 -2.410) 4.391 7.578 ( 11.667 -6.945 3.175) 13.944 12.684 ( -4.080 -1.971 2.816) 5.335 13.119 ( 1.922 1.952 -1.942) 3.357 13.351 ( 2.230 0.793 1.347) 2.724 13.564 ( 1.821 0.732 -0.995) 2.200 17.360 ( -2.082 -0.049 -0.403) 2.121 17.494 ( -1.852 0.322 -1.910) 2.680 17.821 ( 0.465 0.598 1.140) 1.369 18.107 ( -0.057 -2.170 -1.823) 2.835 18.179 ( 1.787 1.451 1.937) 3.009 18.457 ( 1.309 -0.108 0.232) 1.334 28.345 ( 1.206 0.185 0.450) 1.300 28.417 ( 1.429 0.110 -0.298) 1.464 31.270 ( -11.200 1.398 1.346) 11.367 31.716 ( -8.978 -1.889 -2.427) 9.490 32.932 ( 4.960 8.937 -2.375) 10.494 33.082 ( -4.011 8.280 2.610) 9.564 33.992 ( 12.397 -2.651 1.280) 12.742 34.281 ( 5.309 -7.952 -0.749) 9.590 ======================= Grid point 154 (58/144) ======================= q-point: (-0.36 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 6.870 1.636 37.774) 38.428 1.766 ( -23.467 9.917 -1.588) 25.526 1.992 ( -6.193 16.867 6.008) 18.946 2.293 ( -9.396 7.570 20.748) 24.001 2.417 ( -12.538 0.339 -4.414) 13.297 2.999 ( -5.804 -6.857 1.019) 9.041 3.264 ( -1.384 1.555 2.266) 3.077 3.437 ( -3.859 13.537 6.353) 15.443 3.657 ( -13.317 -3.044 -0.826) 13.685 3.754 ( 0.529 -2.773 3.211) 4.276 3.850 ( 0.360 3.013 2.816) 4.140 3.922 ( -4.899 -1.702 5.462) 7.531 4.606 ( -8.407 -16.824 -0.156) 18.809 4.708 ( 3.597 1.743 -1.915) 4.432 4.807 ( 1.831 8.950 3.776) 9.885 5.353 ( 3.941 5.760 -3.083) 7.630 5.567 ( -0.322 -3.943 0.303) 3.967 5.803 ( -0.551 -6.690 1.227) 6.824 6.310 ( -3.533 -7.050 -8.725) 11.760 6.631 ( -1.249 2.264 -7.622) 8.049 6.843 ( -0.195 0.468 -2.279) 2.335 6.919 ( 0.424 -0.188 -3.150) 3.184 7.146 ( 1.381 2.264 -5.433) 6.046 7.853 ( 12.518 -7.243 -0.847) 14.487 12.646 ( -3.311 -2.430 2.827) 4.986 13.122 ( 1.225 2.494 -2.257) 3.580 13.383 ( 2.757 1.011 0.789) 3.040 13.586 ( 1.634 0.623 -1.215) 2.130 17.323 ( -2.735 -0.463 -0.515) 2.822 17.460 ( -1.306 1.163 -1.458) 2.277 17.822 ( 0.264 0.408 2.087) 2.143 18.131 ( 0.261 -2.158 -1.746) 2.788 18.193 ( 1.556 1.154 1.529) 2.468 18.472 ( 0.931 0.543 0.187) 1.094 28.368 ( 1.719 0.121 0.430) 1.776 28.435 ( 1.229 0.758 -0.297) 1.474 31.072 ( -10.672 1.918 1.902) 11.009 31.574 ( -10.717 -1.701 -2.778) 11.201 32.868 ( -3.510 4.030 -0.272) 5.351 32.985 ( 4.524 13.511 1.130) 14.293 34.199 ( 9.183 -3.479 1.767) 9.977 34.463 ( 7.859 -6.429 -1.464) 10.258 ======================= Grid point 155 (59/144) ======================= q-point: (-0.27 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -26.765 9.552 2.875) 28.563 1.644 ( 2.447 11.941 19.379) 22.894 1.755 ( -2.304 10.044 17.522) 20.328 2.033 ( -4.397 11.277 16.324) 20.322 2.234 ( -8.323 3.387 4.734) 10.156 2.903 ( -10.752 -3.337 3.402) 11.761 2.969 ( -6.999 33.549 13.943) 36.999 3.372 ( 3.202 0.137 -8.014) 8.631 3.525 ( -7.830 -4.493 -1.166) 9.102 3.698 ( -9.029 -4.762 -3.584) 10.819 3.885 ( 3.405 -1.099 10.773) 11.352 4.105 ( 12.569 -8.862 4.802) 16.111 4.601 ( -11.122 -14.288 -1.416) 18.162 4.704 ( 1.090 3.020 1.384) 3.497 4.816 ( 2.193 -1.888 0.756) 2.991 5.356 ( 3.199 5.572 -1.600) 6.621 5.591 ( 0.487 -0.469 0.763) 1.020 5.824 ( -3.513 -2.513 -8.027) 9.116 6.344 ( -1.245 -7.350 -1.121) 7.539 6.585 ( -1.468 1.741 -5.643) 6.085 6.842 ( 0.146 -0.356 -0.246) 0.457 6.918 ( 0.099 1.200 -2.182) 2.492 7.149 ( 0.817 0.558 -7.540) 7.605 8.105 ( 8.671 -7.523 -5.241) 12.620 12.628 ( -1.961 -2.647 2.591) 4.191 13.108 ( 0.494 2.968 -2.433) 3.870 13.413 ( 2.188 1.563 -0.226) 2.698 13.603 ( 0.860 0.010 -1.351) 1.602 17.286 ( -2.283 -0.582 0.111) 2.359 17.432 ( -0.456 1.467 -0.953) 1.807 17.823 ( 0.120 -0.061 3.303) 3.305 18.157 ( 0.319 -1.947 -1.433) 2.438 18.207 ( 1.193 0.531 1.037) 1.667 18.478 ( 0.822 0.924 -0.086) 1.239 28.395 ( 1.555 0.020 0.184) 1.566 28.440 ( 0.677 1.370 -0.237) 1.546 30.905 ( -6.781 2.227 2.254) 7.484 31.413 ( -9.484 0.262 -3.018) 9.956 32.780 ( -2.363 3.189 1.105) 4.120 32.911 ( 2.996 13.599 0.377) 13.930 34.353 ( 4.914 -4.137 2.211) 6.793 34.656 ( 7.431 -6.533 -1.815) 10.060 ======================= Grid point 156 (60/144) ======================= q-point: (-0.18 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -0.000 8.895 10.448) 13.722 1.446 ( -0.000 17.880 4.419) 18.418 1.536 ( -0.000 24.331 22.389) 33.065 2.049 ( -0.000 7.009 -10.348) 12.499 2.099 ( 0.000 -4.021 40.401) 40.601 2.492 ( -0.000 41.224 23.190) 47.298 2.856 ( 0.000 -5.606 1.525) 5.810 3.404 ( -0.000 3.437 -13.134) 13.576 3.496 ( 0.000 -4.934 -0.035) 4.934 3.658 ( 0.000 -4.668 -1.687) 4.963 3.927 ( 0.000 -1.237 15.450) 15.499 4.308 ( 0.000 -3.404 -3.280) 4.727 4.658 ( 0.000 -19.659 -2.233) 19.785 4.689 ( -0.000 0.643 3.231) 3.295 4.883 ( 0.000 -7.261 -1.644) 7.445 5.329 ( -0.000 5.762 0.635) 5.797 5.595 ( -0.000 0.489 0.913) 1.036 5.764 ( -0.000 5.287 -14.270) 15.218 6.384 ( 0.000 -0.084 0.862) 0.866 6.577 ( 0.000 -4.053 1.449) 4.304 6.851 ( 0.000 -0.716 1.049) 1.270 6.904 ( -0.000 1.256 -3.344) 3.572 7.158 ( 0.000 -0.573 -8.209) 8.229 8.258 ( 0.000 -7.034 -9.537) 11.850 12.639 ( 0.000 -2.723 2.188) 3.494 13.079 ( -0.000 3.226 -2.427) 4.037 13.413 ( -0.000 2.145 -0.890) 2.322 13.614 ( 0.000 -0.956 -1.240) 1.565 17.271 ( 0.000 -0.475 0.828) 0.955 17.414 ( -0.000 1.395 -0.698) 1.560 17.829 ( 0.000 -0.996 4.742) 4.845 18.178 ( 0.000 -1.455 -0.914) 1.718 18.215 ( -0.000 0.066 0.579) 0.582 18.477 ( -0.000 1.243 -0.941) 1.559 28.409 ( -0.000 0.095 -0.336) 0.349 28.429 ( -0.000 1.659 -0.163) 1.667 30.824 ( -0.000 2.183 2.378) 3.228 31.304 ( -0.000 2.448 -2.669) 3.622 32.728 ( -0.000 4.067 0.547) 4.103 32.807 ( -0.000 10.847 0.947) 10.888 34.437 ( 0.000 -4.179 2.570) 4.906 34.803 ( 0.000 -7.765 -1.470) 7.903 ======================= Grid point 161 (61/144) ======================= q-point: ( 0.27 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -8.779 0.000 28.891) 30.195 1.951 ( 15.178 -0.000 5.203) 16.045 2.410 ( 12.049 -0.000 26.400) 29.020 2.619 ( 4.528 -0.000 5.545) 7.159 2.778 ( -9.193 0.000 -2.446) 9.513 3.123 ( -9.350 0.000 8.412) 12.577 3.449 ( 14.361 -0.000 -3.309) 14.738 3.540 ( -15.117 0.000 0.074) 15.118 3.574 ( -1.759 0.000 1.765) 2.492 3.813 ( -1.996 0.000 2.092) 2.891 4.170 ( 11.221 -0.000 4.843) 12.221 4.268 ( -11.137 0.000 5.404) 12.379 4.625 ( 6.645 -0.000 -3.727) 7.619 4.781 ( 4.690 -0.000 -0.268) 4.697 5.169 ( -10.894 0.000 -1.325) 10.974 5.492 ( -2.045 0.000 -8.386) 8.631 5.523 ( -11.389 0.000 5.071) 12.467 5.844 ( 0.949 -0.000 5.261) 5.346 6.275 ( -1.645 0.000 -20.223) 20.290 6.605 ( 4.882 -0.000 -3.418) 5.960 6.805 ( 1.969 -0.000 -2.168) 2.929 6.812 ( -2.271 0.000 -14.955) 15.127 7.180 ( 0.249 -0.000 7.060) 7.065 7.190 ( 1.456 -0.000 3.744) 4.017 12.793 ( -4.662 0.000 2.882) 5.481 13.070 ( 3.508 -0.000 -0.716) 3.580 13.335 ( 0.110 -0.000 1.416) 1.420 13.544 ( 0.221 -0.000 -0.817) 0.846 17.417 ( -0.498 0.000 -0.309) 0.586 17.502 ( 0.276 -0.000 -1.752) 1.773 17.816 ( 1.038 -0.000 -0.302) 1.081 18.065 ( -0.891 0.000 -1.986) 2.177 18.154 ( 1.849 -0.000 2.437) 3.059 18.368 ( 2.600 -0.000 0.428) 2.635 28.335 ( -0.029 0.000 0.274) 0.275 28.367 ( 0.784 -0.000 -0.025) 0.784 31.540 ( -2.182 0.000 1.654) 2.738 31.926 ( -6.412 0.000 -4.416) 7.785 32.922 ( 9.732 -0.000 -4.341) 10.656 33.455 ( 15.800 -0.000 -3.921) 16.280 33.599 ( -11.426 0.000 8.646) 14.328 33.902 ( -1.380 0.000 1.681) 2.175 ======================= Grid point 162 (62/144) ======================= q-point: ( 0.36 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -7.556 1.807 33.889) 34.768 2.196 ( 12.253 -2.841 3.451) 13.042 2.503 ( 3.670 6.539 10.361) 12.789 2.591 ( -13.482 -0.729 0.600) 13.515 2.732 ( 8.404 0.167 18.034) 19.897 2.922 ( -14.162 0.061 4.971) 15.009 3.262 ( -13.785 0.923 0.790) 13.838 3.526 ( 1.782 7.279 5.461) 9.273 3.694 ( 9.038 0.071 2.383) 9.347 3.872 ( -2.358 -15.854 2.328) 16.197 4.089 ( -10.867 -3.511 3.012) 11.811 4.283 ( -2.285 -0.108 0.950) 2.477 4.644 ( -0.877 7.973 -7.629) 11.070 4.747 ( -5.498 -0.369 -4.532) 7.134 5.045 ( 1.630 5.133 -1.031) 5.483 5.381 ( -4.347 0.120 6.114) 7.503 5.464 ( -2.538 -1.049 -6.855) 7.385 5.813 ( -5.005 -0.380 5.746) 7.630 6.250 ( -1.219 0.692 -13.286) 13.359 6.670 ( 1.573 -0.091 -6.176) 6.374 6.814 ( 1.772 -1.419 -14.269) 14.449 6.838 ( 1.473 -0.938 -3.675) 4.068 7.189 ( 2.575 1.943 4.515) 5.549 7.262 ( 5.214 -3.372 6.591) 9.055 12.719 ( -4.686 -0.434 2.988) 5.574 13.119 ( 2.826 0.508 -1.616) 3.295 13.342 ( 0.993 0.327 1.415) 1.759 13.557 ( 1.609 0.384 -0.853) 1.862 17.396 ( -1.749 0.258 -0.177) 1.777 17.505 ( -0.391 -0.514 -1.453) 1.590 17.831 ( 1.069 0.494 -0.697) 1.369 18.056 ( -0.866 -1.074 -2.064) 2.483 18.183 ( 1.934 0.554 2.435) 3.159 18.410 ( 2.152 -0.566 0.676) 2.326 28.339 ( 0.664 0.258 0.304) 0.775 28.385 ( 1.246 -0.351 -0.132) 1.301 31.454 ( -7.977 0.243 1.031) 8.047 31.818 ( -7.010 -0.112 -3.813) 7.981 33.046 ( 6.566 3.550 -4.881) 8.919 33.421 ( -4.265 7.416 8.749) 12.237 33.715 ( 14.628 -1.453 -0.272) 14.702 33.935 ( 0.452 -7.971 -1.673) 8.158 ======================= Grid point 163 (63/144) ======================= q-point: (-0.55 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -2.281 3.098 37.087) 37.286 2.308 ( -18.588 1.606 1.565) 18.722 2.372 ( 5.984 0.039 1.929) 6.287 2.483 ( 0.265 6.817 7.363) 10.038 2.657 ( -12.932 3.583 3.519) 13.872 2.857 ( 1.761 -2.560 13.123) 13.485 3.124 ( -5.449 -6.108 6.334) 10.350 3.484 ( 0.370 3.983 2.994) 4.996 3.716 ( -1.766 3.069 6.901) 7.756 3.945 ( -16.649 -2.527 0.328) 16.843 3.979 ( -5.824 -13.139 3.677) 14.835 4.147 ( -6.296 -1.848 1.320) 6.694 4.489 ( -4.124 11.025 -7.827) 14.136 4.728 ( 4.389 3.967 -3.677) 6.966 5.069 ( 6.432 6.154 -1.393) 9.010 5.375 ( 0.467 -3.594 5.017) 6.189 5.434 ( -1.597 0.232 -5.514) 5.745 5.721 ( -5.841 -0.971 6.445) 8.752 6.208 ( -5.257 -2.393 -10.225) 11.744 6.676 ( -0.838 -1.131 -8.410) 8.527 6.851 ( 1.061 -0.111 -12.405) 12.450 6.871 ( 1.124 -1.090 -2.953) 3.342 7.209 ( 2.437 2.666 1.950) 4.105 7.442 ( 10.819 -5.678 5.313) 13.324 12.653 ( -4.217 -1.016 3.142) 5.356 13.151 ( 2.174 1.135 -2.348) 3.395 13.362 ( 1.827 0.299 1.353) 2.293 13.585 ( 2.571 1.026 -1.052) 2.962 17.359 ( -2.699 -0.100 -0.033) 2.701 17.498 ( -0.807 0.054 -1.391) 1.609 17.839 ( 0.811 0.996 -0.613) 1.423 18.061 ( -0.554 -2.095 -2.214) 3.098 18.203 ( 1.462 0.869 2.312) 2.870 18.446 ( 1.375 -0.697 0.836) 1.754 28.352 ( 1.335 0.435 0.359) 1.449 28.413 ( 1.587 -0.424 -0.242) 1.660 31.293 ( -10.846 0.752 1.196) 10.937 31.699 ( -7.976 -0.163 -3.140) 8.574 33.033 ( -3.849 2.361 -1.930) 4.910 33.333 ( 6.495 14.129 4.815) 16.278 33.948 ( 11.830 -1.604 1.909) 12.090 34.077 ( 4.625 -11.349 -3.559) 12.762 ======================= Grid point 164 (64/144) ======================= q-point: (-0.45 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 3.094 1.883 35.579) 35.763 1.919 ( -24.623 4.798 3.755) 25.366 2.297 ( -8.182 11.510 2.034) 14.268 2.421 ( -2.903 1.171 3.140) 4.434 2.463 ( -3.562 6.954 6.346) 10.066 2.871 ( -5.145 -4.382 9.266) 11.468 3.172 ( 1.606 -6.835 3.647) 7.912 3.476 ( -1.732 -2.675 0.551) 3.234 3.596 ( -13.727 -2.557 0.217) 13.965 3.736 ( -3.876 -4.416 10.211) 11.781 3.971 ( -1.240 5.571 4.259) 7.122 4.041 ( -6.070 6.085 1.227) 8.682 4.362 ( -5.151 -1.397 -2.689) 5.976 4.769 ( 5.892 4.845 -2.210) 7.942 5.073 ( 5.034 13.846 1.894) 14.854 5.407 ( -1.554 -4.298 -3.349) 5.666 5.457 ( 3.397 -2.632 -0.440) 4.320 5.677 ( -2.864 -4.578 5.752) 7.889 6.141 ( -8.595 -7.826 -8.717) 14.529 6.669 ( -0.863 0.164 -8.641) 8.686 6.853 ( -0.156 0.713 -9.287) 9.316 6.898 ( 0.721 -1.471 -3.305) 3.689 7.211 ( 1.692 3.530 -0.600) 3.961 7.696 ( 11.318 -7.532 2.165) 13.767 12.605 ( -3.269 -1.543 3.272) 4.875 13.166 ( 1.495 1.767 -2.800) 3.633 13.393 ( 2.196 0.080 1.046) 2.434 13.614 ( 2.612 1.778 -1.428) 3.467 17.314 ( -3.043 -0.445 0.190) 3.081 17.480 ( -0.712 0.817 -1.270) 1.669 17.838 ( 0.475 1.134 -0.054) 1.231 18.079 ( -0.199 -2.714 -2.375) 3.612 18.213 ( 0.945 0.870 2.075) 2.440 18.469 ( 0.676 -0.606 0.903) 1.280 28.373 ( 1.697 0.392 0.410) 1.789 28.441 ( 1.480 -0.092 -0.304) 1.513 31.106 ( -10.319 1.367 1.781) 10.560 31.565 ( -8.188 0.374 -2.791) 8.659 32.926 ( -5.442 2.078 1.232) 5.954 33.299 ( 7.433 16.388 0.731) 18.010 34.131 ( 7.820 -3.402 1.936) 8.745 34.289 ( 7.253 -9.988 -3.259) 12.767 ======================= Grid point 165 (65/144) ======================= q-point: (-0.36 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -24.638 6.179 1.702) 25.458 1.725 ( 8.791 1.556 37.638) 38.682 2.019 ( -9.293 12.067 2.556) 15.444 2.323 ( -4.211 6.142 -5.193) 9.079 2.340 ( 0.201 14.149 18.063) 22.946 2.771 ( -10.905 -5.017 5.369) 13.150 3.282 ( 3.250 -5.406 -1.116) 6.406 3.411 ( -8.454 -6.252 -0.293) 10.519 3.502 ( -2.401 -2.102 0.156) 3.195 3.734 ( -6.263 21.400 2.578) 22.447 3.860 ( 4.952 -8.320 9.072) 13.268 3.983 ( 5.778 3.096 4.625) 8.022 4.309 ( -9.956 -10.272 2.220) 14.476 4.800 ( 3.394 5.015 -1.647) 6.275 4.961 ( 1.209 14.813 3.988) 15.388 5.441 ( 2.706 2.098 -4.251) 5.459 5.547 ( 2.966 -4.804 -0.837) 5.708 5.695 ( -3.597 -7.417 0.667) 8.270 6.125 ( -5.617 -13.294 -4.299) 15.059 6.641 ( -0.725 2.542 -8.952) 9.335 6.841 ( -0.323 0.528 -6.812) 6.840 6.921 ( 0.428 -1.068 -2.416) 2.676 7.193 ( 0.785 3.570 -3.051) 4.761 7.935 ( 7.259 -8.756 -0.806) 11.402 12.581 ( -1.843 -1.951 3.220) 4.192 13.163 ( 0.737 2.365 -2.977) 3.873 13.426 ( 1.694 -0.099 0.416) 1.747 13.628 ( 1.595 2.217 -1.856) 3.302 17.275 ( -2.224 -0.542 0.691) 2.391 17.461 ( -0.328 1.294 -1.068) 1.710 17.833 ( 0.189 0.949 0.870) 1.301 18.107 ( 0.019 -2.873 -2.344) 3.708 18.218 ( 0.562 0.580 1.736) 1.915 18.481 ( 0.266 -0.409 0.854) 0.984 28.396 ( 1.340 0.151 0.388) 1.404 28.459 ( 0.865 0.481 -0.302) 1.035 30.949 ( -6.468 1.985 2.267) 7.135 31.436 ( -6.024 1.648 -2.725) 6.814 32.834 ( -2.979 2.237 2.363) 4.412 33.225 ( 4.056 16.638 -0.503) 17.132 34.269 ( 4.237 -4.220 1.923) 6.281 34.494 ( 5.400 -9.217 -3.276) 11.174 ======================= Grid point 166 (66/144) ======================= q-point: (-0.27 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -0.000 9.681 4.405) 10.636 1.788 ( -0.000 14.940 1.969) 15.069 1.839 ( -0.000 0.717 40.091) 40.098 2.164 ( -0.000 16.853 21.447) 27.276 2.203 ( -0.000 7.775 -8.014) 11.165 2.727 ( 0.000 -6.797 3.405) 7.603 3.283 ( -0.000 26.941 9.717) 28.640 3.382 ( 0.000 -5.893 -0.102) 5.894 3.453 ( -0.000 5.963 -5.605) 8.184 3.545 ( 0.000 -6.268 -2.445) 6.728 3.910 ( -0.000 0.410 7.551) 7.562 4.204 ( 0.000 -5.801 5.462) 7.968 4.259 ( 0.000 -18.150 2.235) 18.287 4.767 ( -0.000 5.850 -0.843) 5.911 4.861 ( -0.000 6.642 2.675) 7.161 5.430 ( -0.000 4.209 -2.583) 4.938 5.604 ( -0.000 0.270 0.435) 0.512 5.735 ( 0.000 -8.126 -6.669) 10.512 6.223 ( 0.000 -12.843 -0.098) 12.843 6.602 ( -0.000 3.416 -8.468) 9.131 6.836 ( 0.000 -0.239 -4.056) 4.063 6.929 ( -0.000 0.342 -1.018) 1.074 7.169 ( -0.000 2.235 -5.602) 6.032 8.089 ( 0.000 -9.108 -3.448) 9.739 12.587 ( 0.000 -2.289 2.940) 3.726 13.142 ( -0.000 2.843 -2.911) 4.069 13.441 ( -0.000 0.368 -0.322) 0.489 13.620 ( -0.000 1.688 -1.880) 2.527 17.260 ( 0.000 -0.525 1.055) 1.178 17.444 ( -0.000 1.472 -0.902) 1.726 17.826 ( -0.000 0.536 2.049) 2.118 18.136 ( 0.000 -2.616 -1.998) 3.291 18.219 ( -0.000 0.288 1.339) 1.369 18.486 ( 0.000 -0.137 0.583) 0.599 28.407 ( 0.000 -0.094 0.260) 0.276 28.458 ( -0.000 1.038 -0.270) 1.072 30.872 ( -0.000 2.343 2.429) 3.375 31.358 ( -0.000 2.735 -2.692) 3.837 32.786 ( -0.000 2.417 2.452) 3.443 33.091 ( -0.000 15.936 -0.397) 15.941 34.348 ( 0.000 -4.439 2.194) 4.952 34.635 ( 0.000 -8.964 -3.426) 9.597 ======================= Grid point 173 (67/144) ======================= q-point: ( 0.36 -0.64 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -2.471 0.000 35.475) 35.561 2.313 ( -19.012 0.000 3.058) 19.257 2.362 ( 9.135 -0.000 0.418) 9.144 2.555 ( -0.563 0.000 3.999) 4.038 2.707 ( -12.183 0.000 6.711) 13.909 2.831 ( -3.783 0.000 15.119) 15.585 3.063 ( -1.780 0.000 8.166) 8.358 3.624 ( -0.312 0.000 3.779) 3.792 3.680 ( -8.104 0.000 0.291) 8.110 3.839 ( -2.092 0.000 0.180) 2.100 3.876 ( -8.210 0.000 7.264) 10.962 4.121 ( -8.061 0.000 2.085) 8.326 4.664 ( -4.412 0.000 -8.773) 9.820 4.756 ( 6.268 -0.000 -5.566) 8.382 5.077 ( 0.922 -0.000 -3.541) 3.659 5.370 ( 2.667 -0.000 9.486) 9.854 5.437 ( -1.249 0.000 -6.567) 6.684 5.712 ( -6.711 0.000 5.871) 8.916 6.194 ( -5.973 0.000 -8.346) 10.263 6.647 ( -2.608 0.000 -10.645) 10.960 6.856 ( 1.217 -0.000 -5.489) 5.622 6.857 ( 2.346 -0.000 -10.226) 10.492 7.240 ( 2.508 -0.000 3.726) 4.492 7.377 ( 10.682 -0.000 5.604) 12.063 12.643 ( -4.266 0.000 3.273) 5.377 13.163 ( 2.252 -0.000 -2.453) 3.330 13.365 ( 1.584 -0.000 1.374) 2.097 13.596 ( 2.895 -0.000 -1.081) 3.090 17.357 ( -2.975 0.000 0.121) 2.978 17.498 ( -0.321 0.000 -1.248) 1.288 17.852 ( 1.025 -0.000 -1.376) 1.716 18.036 ( -0.818 0.000 -2.271) 2.414 18.212 ( 1.331 -0.000 2.455) 2.793 18.437 ( 1.457 -0.000 1.043) 1.792 28.358 ( 1.393 -0.000 0.277) 1.420 28.407 ( 1.624 -0.000 -0.172) 1.633 31.300 ( -10.708 0.000 1.196) 10.774 31.698 ( -7.648 0.000 -3.545) 8.429 33.056 ( -5.202 0.000 -1.349) 5.374 33.533 ( 9.819 -0.000 8.593) 13.048 33.902 ( 1.453 -0.000 -5.289) 5.485 33.938 ( 13.198 -0.000 -0.436) 13.205 ======================= Grid point 175 (68/144) ======================= q-point: (-0.55 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -0.220 1.042 29.262) 29.281 1.983 ( -19.803 1.699 9.256) 21.925 2.427 ( -6.553 0.688 -2.652) 7.102 2.473 ( -3.864 5.569 3.927) 7.834 2.544 ( -4.111 0.745 5.835) 7.177 2.762 ( -2.220 -6.347 5.273) 8.545 3.141 ( 5.983 3.611 17.416) 18.765 3.470 ( -7.328 1.850 -0.601) 7.582 3.547 ( -15.463 -3.295 0.242) 15.812 3.622 ( -16.674 -5.181 1.543) 17.528 3.893 ( 4.711 -4.013 12.478) 13.928 4.174 ( 7.589 4.011 1.108) 8.655 4.514 ( -6.515 8.745 -7.799) 13.407 4.857 ( 6.232 2.438 -3.823) 7.707 5.144 ( 3.732 -5.758 -3.368) 7.643 5.397 ( 0.613 4.456 4.781) 6.564 5.426 ( 1.230 -1.439 -0.071) 1.895 5.624 ( -4.100 -0.937 3.325) 5.361 6.059 ( -10.542 -0.248 -5.382) 11.838 6.622 ( -2.104 -3.244 -11.399) 12.037 6.869 ( 0.572 0.636 -9.198) 9.238 6.878 ( 0.585 -0.421 -5.017) 5.069 7.269 ( 2.105 1.788 1.870) 3.335 7.577 ( 10.830 -3.430 2.964) 11.740 12.584 ( -3.256 -0.526 3.541) 4.839 13.191 ( 1.595 0.636 -3.014) 3.469 13.392 ( 1.747 -0.065 1.286) 2.171 13.643 ( 3.185 0.863 -1.521) 3.633 17.307 ( -3.167 -0.192 0.582) 3.225 17.492 ( -0.319 0.288 -1.226) 1.299 17.862 ( 0.708 0.873 -1.572) 1.932 18.032 ( -0.558 -1.516 -2.521) 2.995 18.226 ( 0.667 0.355 2.408) 2.524 18.457 ( 0.707 -0.398 1.221) 1.466 28.381 ( 1.667 0.347 0.295) 1.728 28.436 ( 1.618 -0.301 -0.222) 1.661 31.125 ( -10.063 0.491 1.768) 10.229 31.575 ( -7.186 0.346 -3.077) 7.825 32.955 ( -5.775 0.736 1.731) 6.073 33.621 ( 8.965 13.783 2.887) 16.694 34.002 ( 3.584 -10.117 -5.054) 11.863 34.140 ( 10.032 -2.571 1.099) 10.415 ======================= Grid point 176 (69/144) ======================= q-point: (-0.45 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -16.600 2.894 1.264) 16.897 1.777 ( 1.058 3.215 36.276) 36.434 2.201 ( -10.196 5.781 -1.545) 11.822 2.416 ( -1.028 3.747 0.559) 3.925 2.518 ( 1.590 1.317 6.121) 6.460 2.767 ( -4.636 2.778 10.334) 11.662 3.144 ( -0.039 -2.630 4.167) 4.928 3.321 ( -9.783 -1.809 -1.177) 10.019 3.405 ( -6.389 -4.705 -1.592) 8.093 3.599 ( -0.569 -14.917 13.413) 20.069 4.009 ( 4.642 -2.632 10.625) 11.890 4.148 ( 1.889 16.408 -1.425) 16.577 4.322 ( -5.626 9.300 -3.391) 11.386 4.904 ( 3.990 4.359 -2.380) 6.371 5.285 ( 5.613 5.231 -0.146) 7.674 5.324 ( -1.249 -3.328 2.668) 4.444 5.490 ( 3.199 -1.602 -1.114) 3.747 5.600 ( -1.272 -2.544 1.637) 3.282 5.893 ( -11.677 -6.024 -4.195) 13.793 6.636 ( -0.874 -3.416 -10.808) 11.369 6.862 ( -0.102 1.177 -8.345) 8.428 6.894 ( 0.407 -1.030 -4.869) 4.993 7.269 ( 1.083 3.290 0.172) 3.468 7.773 ( 6.618 -6.422 0.976) 9.273 12.551 ( -1.785 -1.020 3.667) 4.204 13.201 ( 0.827 1.293 -3.274) 3.616 13.420 ( 1.224 -0.370 1.039) 1.648 13.674 ( 2.090 1.864 -2.023) 3.455 17.265 ( -2.147 -0.347 1.048) 2.414 17.482 ( -0.197 0.750 -1.172) 1.405 17.858 ( 0.310 1.373 -1.164) 1.826 18.048 ( -0.215 -2.654 -2.763) 3.837 18.229 ( 0.264 0.469 2.269) 2.332 18.469 ( 0.226 -0.611 1.264) 1.422 28.402 ( 1.211 0.405 0.342) 1.322 28.460 ( 1.000 -0.227 -0.261) 1.059 30.982 ( -6.177 1.159 2.297) 6.691 31.468 ( -4.718 1.240 -2.797) 5.624 32.870 ( -3.192 1.270 2.817) 4.443 33.569 ( 4.512 16.757 -0.793) 17.372 34.159 ( 3.134 -8.107 -2.051) 8.930 34.314 ( 5.551 -6.643 0.109) 8.657 ======================= Grid point 177 (70/144) ======================= q-point: (-0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -0.000 7.838 -0.029) 7.838 1.806 ( 0.000 -0.945 40.495) 40.506 2.034 ( -0.000 9.033 -1.448) 9.148 2.351 ( -0.000 6.383 -4.012) 7.539 2.550 ( -0.000 17.596 17.002) 24.468 2.598 ( 0.000 -5.409 5.347) 7.605 3.231 ( 0.000 -10.506 -0.632) 10.525 3.273 ( 0.000 -4.362 -0.343) 4.376 3.412 ( 0.000 -6.459 -2.791) 7.036 3.775 ( 0.000 -16.035 12.702) 20.457 3.947 ( -0.000 23.271 0.836) 23.286 4.100 ( 0.000 -4.181 9.870) 10.719 4.150 ( -0.000 9.466 -2.189) 9.716 4.889 ( -0.000 5.461 -2.147) 5.868 5.139 ( -0.000 17.883 5.557) 18.726 5.490 ( 0.000 -14.172 -1.861) 14.293 5.502 ( -0.000 2.949 -3.917) 4.903 5.603 ( 0.000 -0.385 -0.812) 0.898 5.908 ( 0.000 -16.294 -1.286) 16.345 6.649 ( 0.000 -0.184 -10.020) 10.022 6.848 ( -0.000 1.211 -8.189) 8.278 6.911 ( 0.000 -1.505 -3.798) 4.085 7.240 ( -0.000 3.992 -1.281) 4.193 7.905 ( 0.000 -8.410 -0.155) 8.412 12.548 ( 0.000 -1.477 3.547) 3.842 13.191 ( -0.000 1.905 -3.265) 3.781 13.435 ( 0.000 -0.588 0.664) 0.887 13.668 ( -0.000 2.532 -2.264) 3.397 17.251 ( 0.000 -0.420 1.265) 1.332 17.471 ( -0.000 1.104 -1.085) 1.548 17.846 ( -0.000 1.323 -0.291) 1.355 18.076 ( 0.000 -3.070 -2.737) 4.113 18.227 ( -0.000 0.443 2.031) 2.078 18.477 ( 0.000 -0.641 1.173) 1.337 28.409 ( -0.000 0.251 0.370) 0.447 28.470 ( -0.000 0.104 -0.285) 0.303 30.914 ( -0.000 1.766 2.483) 3.047 31.409 ( -0.000 2.138 -2.725) 3.464 32.829 ( -0.000 1.718 3.024) 3.478 33.433 ( -0.000 17.189 -1.257) 17.235 34.253 ( 0.000 -5.394 0.418) 5.410 34.443 ( 0.000 -9.273 -2.136) 9.516 ======================= Grid point 186 (71/144) ======================= q-point: ( 0.45 -0.55 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -13.169 0.000 0.886) 13.199 1.818 ( -1.760 0.000 35.584) 35.627 2.259 ( -10.234 0.000 -3.246) 10.736 2.468 ( -1.668 0.000 7.842) 8.018 2.505 ( -0.025 0.000 0.167) 0.169 2.760 ( 3.258 -0.000 0.272) 3.269 3.286 ( -10.468 0.000 2.825) 10.842 3.287 ( 5.665 -0.000 24.994) 25.628 3.336 ( -12.381 0.000 1.814) 12.514 3.340 ( -8.060 0.000 -3.456) 8.770 3.975 ( 6.085 -0.000 12.201) 13.634 4.351 ( 7.940 -0.000 -1.806) 8.142 4.443 ( -6.866 0.000 -7.704) 10.319 4.952 ( 3.536 -0.000 -2.928) 4.591 5.162 ( 2.962 -0.000 0.951) 3.111 5.351 ( -3.101 0.000 2.838) 4.204 5.510 ( 5.003 -0.000 1.344) 5.181 5.580 ( -1.073 0.000 -1.709) 2.018 5.884 ( -10.762 0.000 -0.362) 10.768 6.571 ( -1.442 0.000 -12.634) 12.716 6.875 ( -0.199 0.000 -6.121) 6.124 6.885 ( 0.509 -0.000 -7.470) 7.487 7.307 ( 1.239 -0.000 1.314) 1.806 7.702 ( 6.429 -0.000 0.850) 6.485 12.540 ( -1.768 0.000 3.830) 4.218 13.214 ( 0.848 -0.000 -3.369) 3.474 13.415 ( 1.093 -0.000 1.264) 1.671 13.694 ( 2.213 -0.000 -2.028) 3.002 17.261 ( -2.106 0.000 1.170) 2.409 17.490 ( -0.140 0.000 -1.213) 1.221 17.876 ( 0.406 -0.000 -2.116) 2.154 18.016 ( -0.353 0.000 -2.712) 2.735 18.234 ( 0.188 -0.000 2.460) 2.467 18.462 ( 0.244 -0.000 1.380) 1.401 28.407 ( 1.160 -0.000 0.266) 1.190 28.456 ( 1.058 -0.000 -0.202) 1.077 30.994 ( -6.061 0.000 2.311) 6.487 31.481 ( -4.383 0.000 -2.847) 5.226 32.883 ( -3.259 0.000 2.944) 4.392 33.848 ( 6.195 -0.000 5.264) 8.129 33.961 ( 1.469 -0.000 -11.378) 11.472 34.255 ( 5.442 -0.000 3.159) 6.293 ======================= Grid point 188 (72/144) ======================= q-point: (-0.45 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -0.000 3.039 -2.901) 4.201 1.813 ( -0.000 0.893 38.881) 38.891 2.155 ( -0.000 2.926 -3.794) 4.791 2.447 ( -0.000 2.865 2.950) 4.112 2.518 ( 0.000 -2.415 3.185) 3.997 2.781 ( -0.000 2.987 4.372) 5.295 3.138 ( -0.000 5.269 7.861) 9.463 3.225 ( 0.000 -0.141 -0.499) 0.519 3.297 ( 0.000 -4.254 -3.113) 5.272 3.438 ( 0.000 -15.045 20.261) 25.236 4.041 ( 0.000 -1.461 11.640) 11.731 4.311 ( -0.000 11.714 -7.147) 13.722 4.378 ( -0.000 8.300 -1.959) 8.528 4.970 ( -0.000 2.151 -2.283) 3.137 5.232 ( 0.000 -8.231 1.500) 8.367 5.349 ( 0.000 -2.399 4.724) 5.299 5.553 ( -0.000 2.058 -3.732) 4.262 5.587 ( 0.000 -1.245 -2.442) 2.741 5.742 ( -0.000 3.359 2.129) 3.977 6.584 ( 0.000 -4.352 -12.206) 12.959 6.870 ( -0.000 0.629 -6.415) 6.446 6.891 ( 0.000 -0.380 -6.909) 6.920 7.306 ( -0.000 2.026 0.702) 2.144 7.775 ( 0.000 -3.672 0.252) 3.681 12.528 ( 0.000 -0.507 3.884) 3.917 13.218 ( -0.000 0.668 -3.450) 3.514 13.426 ( 0.000 -0.259 1.174) 1.202 13.707 ( -0.000 1.061 -2.261) 2.498 17.244 ( 0.000 -0.162 1.391) 1.401 17.487 ( -0.000 0.408 -1.193) 1.260 17.873 ( -0.000 1.047 -1.945) 2.209 18.023 ( 0.000 -1.753 -2.847) 3.344 18.234 ( -0.000 0.244 2.417) 2.429 18.466 ( 0.000 -0.365 1.392) 1.439 28.416 ( -0.000 0.285 0.289) 0.406 28.467 ( 0.000 -0.217 -0.216) 0.306 30.940 ( -0.000 0.653 2.518) 2.602 31.440 ( -0.000 0.808 -2.751) 2.867 32.853 ( -0.000 0.630 3.228) 3.288 33.773 ( -0.000 15.781 -1.102) 15.819 34.080 ( 0.000 -11.977 -5.361) 13.122 34.313 ( 0.000 -2.783 3.001) 4.093 ======================= Grid point 250 (73/144) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.000 0.000 4.226) 4.226 1.265 ( 0.000 0.000 30.539) 30.539 1.333 ( 0.000 0.000 28.909) 28.909 1.586 ( 0.000 0.000 -15.793) 15.793 2.314 ( 0.000 0.000 50.015) 50.015 2.865 ( 0.000 0.000 -12.242) 12.242 2.928 ( 0.000 0.000 -21.237) 21.237 3.326 ( 0.000 0.000 47.881) 47.881 3.604 ( 0.000 0.000 0.162) 0.162 3.704 ( 0.000 0.000 -3.961) 3.961 4.230 ( 0.000 0.000 3.044) 3.044 4.418 ( 0.000 0.000 23.648) 23.648 4.740 ( 0.000 0.000 -6.671) 6.671 4.771 ( 0.000 0.000 -21.708) 21.708 5.238 ( 0.000 0.000 1.897) 1.897 5.357 ( 0.000 0.000 10.164) 10.164 5.423 ( 0.000 0.000 3.210) 3.210 5.600 ( 0.000 0.000 0.540) 0.540 6.182 ( 0.000 0.000 4.277) 4.277 6.635 ( 0.000 0.000 -20.659) 20.659 6.702 ( 0.000 0.000 -9.213) 9.213 6.818 ( 0.000 0.000 -3.558) 3.558 7.252 ( 0.000 0.000 4.293) 4.293 7.916 ( 0.000 0.000 -17.334) 17.334 12.753 ( 0.000 0.000 2.254) 2.254 12.941 ( 0.000 0.000 -2.891) 2.891 13.436 ( 0.000 0.000 2.976) 2.976 13.618 ( 0.000 0.000 -2.180) 2.180 17.299 ( 0.000 0.000 1.014) 1.014 17.367 ( 0.000 0.000 -0.871) 0.871 18.110 ( 0.000 0.000 1.225) 1.225 18.162 ( 0.000 0.000 -1.001) 1.001 18.209 ( 0.000 0.000 0.820) 0.820 18.263 ( 0.000 0.000 0.195) 0.195 28.363 ( 0.000 0.000 0.390) 0.390 28.381 ( 0.000 0.000 -0.089) 0.089 30.843 ( 0.000 0.000 4.297) 4.297 31.172 ( 0.000 0.000 -4.702) 4.702 32.516 ( 0.000 0.000 0.052) 0.052 32.608 ( 0.000 0.000 -2.718) 2.718 34.670 ( 0.000 0.000 6.746) 6.746 35.061 ( 0.000 0.000 -4.207) 4.207 ======================= Grid point 251 (74/144) ======================= q-point: ( 0.09 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 15.473 4.626 9.093) 18.533 1.401 ( 7.903 -14.209 25.534) 30.271 1.502 ( 20.498 -5.793 10.855) 23.908 1.691 ( 10.201 -3.240 -12.219) 16.244 2.516 ( 16.354 -7.740 45.314) 48.793 2.784 ( -7.140 -0.450 -0.234) 7.158 2.960 ( 3.138 -0.820 -20.205) 20.463 3.380 ( 6.409 2.328 30.668) 31.417 3.675 ( 8.210 1.514 -1.095) 8.420 3.768 ( 6.541 1.753 -1.898) 7.033 4.201 ( -2.236 -0.892 4.405) 5.020 4.381 ( -3.536 1.816 22.692) 23.037 4.713 ( -2.441 0.715 -6.071) 6.582 4.825 ( 5.630 0.203 -17.529) 18.412 5.179 ( 0.954 11.921 2.771) 12.276 5.338 ( -1.626 1.692 6.466) 6.879 5.468 ( 3.384 -3.857 4.315) 6.705 5.631 ( 3.462 0.196 -2.631) 4.353 6.222 ( 2.058 -3.363 2.551) 4.696 6.633 ( -0.797 -0.727 -19.777) 19.806 6.704 ( 0.192 -0.566 -7.183) 7.208 6.837 ( -3.042 -7.201 -2.607) 8.240 7.188 ( -2.700 7.944 3.395) 9.051 7.843 ( -9.086 -1.669 -17.406) 19.706 12.769 ( 2.452 0.864 2.482) 3.594 12.969 ( 2.281 -0.747 -2.867) 3.739 13.427 ( -0.400 1.092 2.986) 3.204 13.609 ( -0.746 0.645 -2.158) 2.373 17.297 ( 0.021 -0.024 0.528) 0.529 17.368 ( -0.096 -0.394 -0.964) 1.046 18.039 ( -3.317 5.243 3.181) 6.972 18.155 ( -3.824 -4.270 -0.720) 5.777 18.202 ( -0.718 0.131 0.943) 1.192 18.276 ( -0.608 -3.176 -0.445) 3.264 28.366 ( -0.353 -0.771 0.280) 0.893 28.382 ( -0.342 -0.659 -0.096) 0.748 30.911 ( 7.703 -0.609 4.736) 9.063 31.339 ( 18.123 0.948 -9.422) 20.448 32.519 ( -1.476 -3.151 0.089) 3.481 32.620 ( -0.415 -3.165 -2.966) 4.358 34.614 ( -5.302 2.657 6.502) 8.801 34.906 ( -14.029 3.486 1.056) 14.494 ======================= Grid point 252 (75/144) ======================= q-point: ( 0.18 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 14.032 0.182 11.429) 18.098 1.711 ( 13.522 -12.364 19.485) 26.746 1.881 ( 14.216 -4.842 -3.048) 15.324 2.066 ( 25.762 -11.513 -4.342) 28.550 2.655 ( -2.907 -0.264 13.053) 13.376 2.926 ( 12.352 -5.905 24.928) 28.440 3.050 ( 8.861 -5.321 -8.997) 13.703 3.468 ( 8.910 4.546 15.957) 18.833 3.767 ( 2.033 3.599 -0.214) 4.139 3.819 ( 5.787 1.207 -3.818) 7.038 4.222 ( 0.468 2.472 13.419) 13.653 4.272 ( -2.071 2.833 13.663) 14.106 4.678 ( -1.221 -0.727 1.332) 1.948 4.898 ( 2.611 1.608 -10.310) 10.756 5.069 ( 2.461 12.272 2.412) 12.747 5.274 ( -1.572 5.121 2.446) 5.889 5.591 ( 5.371 -4.999 4.090) 8.400 5.687 ( 3.513 0.537 -9.553) 10.192 6.278 ( 0.450 -1.714 -0.571) 1.862 6.612 ( -2.404 0.662 -15.405) 15.605 6.731 ( -0.351 -5.225 -3.652) 6.385 6.844 ( -5.514 -7.436 -1.784) 9.428 7.026 ( -3.101 12.497 -0.333) 12.880 7.698 ( -11.197 -3.631 -16.819) 20.529 12.808 ( 3.746 1.698 2.911) 5.039 13.008 ( 1.297 -0.692 -1.941) 2.435 13.404 ( -0.758 1.334 2.907) 3.287 13.583 ( -1.274 1.066 -2.083) 2.664 17.308 ( 1.274 -0.220 -0.591) 1.421 17.376 ( 0.377 -0.888 -1.315) 1.631 17.947 ( -3.327 1.543 4.414) 5.739 18.133 ( -2.770 -2.267 -0.774) 3.662 18.186 ( -1.061 0.098 1.290) 1.673 18.303 ( -0.738 -4.150 -1.471) 4.465 28.364 ( -0.663 -0.512 0.353) 0.909 28.383 ( -0.587 -0.976 -0.139) 1.147 31.086 ( 12.309 -0.696 5.537) 13.515 31.626 ( 18.703 4.879 -11.953) 22.726 32.533 ( -1.978 -5.008 0.055) 5.385 32.665 ( 0.653 -5.865 -4.192) 7.239 34.446 ( -10.364 4.869 6.756) 13.295 34.643 ( -13.378 1.166 4.442) 14.144 ======================= Grid point 253 (76/144) ======================= q-point: ( 0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 11.425 -2.992 9.518) 15.168 2.073 ( 16.255 -9.513 15.713) 24.528 2.150 ( 14.108 -3.476 0.725) 14.548 2.561 ( 16.805 -12.930 3.703) 21.524 2.669 ( 4.777 -1.962 9.245) 10.589 2.977 ( -0.923 2.055 0.185) 2.261 3.360 ( 9.989 -6.240 9.104) 14.886 3.566 ( 8.882 3.571 9.335) 13.371 3.771 ( 2.633 -5.141 0.180) 5.779 3.938 ( 10.859 3.628 6.513) 13.172 4.047 ( -9.277 3.984 14.242) 17.458 4.340 ( 7.585 5.911 3.062) 10.092 4.678 ( -0.299 -0.284 11.997) 12.004 4.857 ( -2.675 2.309 -3.961) 5.308 5.033 ( 1.931 5.365 0.646) 5.738 5.196 ( 1.264 9.100 -2.280) 9.466 5.708 ( 3.823 -0.041 0.595) 3.869 5.736 ( 2.623 -2.278 -11.230) 11.755 6.244 ( -4.862 1.429 -0.845) 5.137 6.532 ( -4.984 2.450 -9.145) 10.699 6.787 ( -3.772 -9.444 -5.833) 11.724 6.814 ( -4.122 -3.836 -4.382) 7.135 6.897 ( 2.688 9.580 -2.526) 10.265 7.567 ( -9.318 -3.322 -12.894) 16.252 12.848 ( 3.590 2.384 3.185) 5.358 13.024 ( -0.115 -0.772 -0.981) 1.254 13.378 ( -0.889 0.995 2.767) 3.072 13.550 ( -1.407 1.067 -1.966) 2.642 17.339 ( 2.006 -0.222 -0.859) 2.193 17.402 ( 1.533 -1.317 -2.175) 2.969 17.899 ( -1.976 -0.119 4.158) 4.605 18.114 ( -1.733 -1.231 -1.289) 2.485 18.169 ( -0.954 -0.180 2.020) 2.242 18.334 ( -0.564 -3.858 -2.146) 4.451 28.356 ( -0.618 -0.039 0.509) 0.801 28.382 ( -0.743 -0.929 -0.209) 1.208 31.299 ( 12.736 -0.256 5.854) 14.019 31.816 ( 11.674 5.916 -8.772) 15.755 32.552 ( -2.008 -4.799 0.049) 5.202 32.766 ( 3.752 -6.666 -6.973) 10.351 34.209 ( -11.982 4.560 7.430) 14.818 34.460 ( -9.031 -0.171 2.897) 9.486 ======================= Grid point 254 (77/144) ======================= q-point: ( 0.36 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 7.428 -3.077 8.800) 11.920 2.349 ( 13.209 1.889 8.613) 15.881 2.437 ( 10.435 -11.120 9.925) 18.195 2.739 ( 4.826 -1.982 17.791) 18.540 2.910 ( 9.349 -0.897 -1.675) 9.540 2.923 ( -2.980 -3.686 8.675) 9.886 3.430 ( -1.418 0.598 7.576) 7.731 3.647 ( 1.856 0.261 -0.051) 1.875 3.919 ( 2.875 -6.829 14.002) 15.842 3.987 ( 7.648 -2.560 -3.277) 8.705 4.123 ( 11.972 -0.999 4.893) 12.972 4.337 ( 2.838 10.622 7.383) 13.244 4.663 ( -0.397 1.623 13.411) 13.514 4.817 ( -2.162 -1.573 -3.544) 4.440 4.977 ( -4.856 -0.107 1.045) 4.968 5.132 ( 4.271 13.705 -4.260) 14.974 5.727 ( 0.936 1.955 -12.342) 12.531 5.771 ( -1.048 1.015 -1.128) 1.844 6.146 ( -4.345 -0.971 1.899) 4.840 6.437 ( -3.678 1.412 -8.753) 9.599 6.757 ( -4.032 -2.994 -13.973) 14.848 6.822 ( -1.341 -1.978 -5.997) 6.455 6.914 ( 3.836 0.542 3.139) 4.986 7.464 ( -6.393 -1.667 -7.686) 10.135 12.874 ( 2.486 2.216 3.185) 4.608 13.025 ( -0.634 -0.772 -0.649) 1.191 13.358 ( -0.690 0.540 2.674) 2.814 13.519 ( -1.101 0.734 -1.826) 2.255 17.371 ( 1.563 -0.216 -0.222) 1.594 17.446 ( 2.007 -1.104 -3.042) 3.808 17.878 ( -1.076 -0.343 3.706) 3.874 18.101 ( -0.972 -0.462 -1.978) 2.252 18.161 ( -0.518 -0.528 2.918) 3.010 18.360 ( -0.367 -2.670 -2.340) 3.569 28.347 ( -0.396 0.182 0.583) 0.728 28.378 ( -0.653 -0.637 -0.283) 0.955 31.484 ( 9.593 0.192 5.389) 11.005 31.898 ( 5.132 3.810 -4.977) 8.101 32.565 ( -1.551 -3.410 0.125) 3.748 32.907 ( 5.684 -5.047 -10.783) 13.193 33.985 ( -10.223 3.531 9.006) 14.075 34.348 ( -5.278 -0.455 1.085) 5.408 ======================= Grid point 255 (78/144) ======================= q-point: ( 0.45 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 2.657 -1.241 8.213) 8.720 2.477 ( 4.594 1.814 -4.994) 7.023 2.669 ( 6.894 -7.664 23.452) 25.618 2.817 ( 1.749 1.504 5.128) 5.623 2.844 ( -4.075 -0.315 35.298) 35.533 3.048 ( 5.314 0.994 -2.343) 5.892 3.320 ( -7.131 1.142 10.533) 12.771 3.746 ( 4.665 -5.751 -2.610) 7.852 4.015 ( 3.336 2.866 -3.376) 5.545 4.150 ( 2.554 -8.701 0.434) 9.079 4.217 ( 3.620 6.298 -1.398) 7.397 4.317 ( 0.758 -0.232 18.303) 18.320 4.655 ( 3.464 3.264 4.245) 6.378 4.792 ( -2.491 -0.458 3.566) 4.374 4.923 ( -5.108 -6.560 -3.418) 8.989 5.041 ( 2.112 12.223 -1.416) 12.485 5.705 ( 0.115 2.929 -1.718) 3.397 5.731 ( -1.933 -1.013 -13.972) 14.141 6.133 ( -0.302 -1.367 3.514) 3.782 6.388 ( -1.304 0.297 -8.824) 8.925 6.735 ( -1.259 -0.978 -14.231) 14.320 6.817 ( -0.443 -0.294 -7.169) 7.189 6.961 ( 1.388 -0.481 4.039) 4.298 7.402 ( -2.383 -0.403 -4.530) 5.135 12.885 ( 0.887 0.910 3.077) 3.329 13.022 ( -0.324 -0.334 -0.630) 0.783 13.346 ( -0.255 0.162 2.635) 2.652 13.502 ( -0.420 0.256 -1.723) 1.792 17.391 ( 0.609 -0.109 0.214) 0.654 17.479 ( 0.877 -0.406 -3.329) 3.466 17.869 ( -0.358 -0.134 3.410) 3.431 18.093 ( -0.324 -0.082 -2.336) 2.360 18.161 ( -0.129 -0.301 3.400) 3.415 18.374 ( -0.140 -0.943 -2.304) 2.493 28.341 ( -0.132 0.104 0.592) 0.616 28.375 ( -0.264 -0.224 -0.332) 0.480 31.592 ( 3.680 0.172 4.661) 5.941 31.921 ( 1.198 1.198 -2.772) 3.249 32.571 ( -0.581 -1.242 0.186) 1.383 33.024 ( 3.180 -2.025 -14.913) 15.382 33.831 ( -4.605 1.554 12.155) 13.091 34.296 ( -1.714 -0.221 0.033) 1.729 ======================= Grid point 262 (79/144) ======================= q-point: ( 0.09 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 8.448 -0.000 26.253) 27.579 1.466 ( 19.581 -0.000 14.937) 24.628 1.890 ( 26.877 -0.000 -8.404) 28.161 1.898 ( 16.481 -0.000 -6.884) 17.861 2.665 ( -5.453 0.000 8.682) 10.253 2.831 ( 23.080 -0.000 37.894) 44.369 3.024 ( 4.821 -0.000 -18.458) 19.078 3.512 ( 7.979 -0.000 14.257) 16.338 3.809 ( -3.866 0.000 -3.803) 5.423 3.831 ( 9.601 -0.000 -1.233) 9.679 4.255 ( 9.420 -0.000 11.528) 14.888 4.295 ( -8.166 0.000 21.076) 22.603 4.662 ( -3.466 0.000 -3.803) 5.146 4.901 ( 2.720 -0.000 -8.759) 9.172 5.284 ( 2.126 -0.000 2.374) 3.186 5.344 ( 0.601 -0.000 -0.057) 0.604 5.491 ( 4.389 -0.000 8.001) 9.125 5.696 ( 3.502 -0.000 -9.745) 10.355 6.238 ( 1.358 -0.000 4.607) 4.803 6.610 ( -1.596 0.000 -19.582) 19.647 6.711 ( -6.565 0.000 -4.195) 7.791 6.714 ( 0.394 -0.000 -6.762) 6.773 7.190 ( -2.315 0.000 0.563) 2.382 7.639 ( -13.293 0.000 -13.888) 19.225 12.827 ( 3.959 -0.000 2.429) 4.645 13.001 ( 1.469 -0.000 -1.568) 2.148 13.424 ( -0.715 0.000 2.801) 2.890 13.595 ( -1.349 0.000 -2.039) 2.445 17.306 ( 1.294 -0.000 -0.896) 1.574 17.366 ( 0.174 -0.000 -0.998) 1.013 17.973 ( -6.698 0.000 3.306) 7.470 18.086 ( -1.257 0.000 -0.075) 1.259 18.189 ( -0.964 0.000 1.131) 1.486 18.261 ( 0.226 -0.000 0.056) 0.233 28.358 ( -0.208 0.000 0.348) 0.405 28.372 ( -0.455 0.000 -0.043) 0.457 31.079 ( 12.682 -0.000 5.763) 13.930 31.688 ( 20.518 -0.000 -16.071) 26.062 32.486 ( 0.062 -0.000 -0.198) 0.207 32.594 ( -0.526 0.000 -3.406) 3.447 34.509 ( -9.221 0.000 6.052) 11.030 34.644 ( -17.587 0.000 7.949) 19.300 ======================= Grid point 263 (80/144) ======================= q-point: ( 0.18 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 12.275 1.749 18.839) 22.553 1.854 ( 19.565 -8.238 13.963) 25.409 2.148 ( 17.947 3.875 -1.188) 18.399 2.349 ( 21.729 -8.674 -5.883) 24.125 2.625 ( 0.411 -1.242 13.008) 13.074 3.038 ( 1.644 2.330 -2.480) 3.779 3.232 ( 17.757 -3.947 13.571) 22.695 3.633 ( 7.223 0.693 5.201) 8.928 3.712 ( -5.564 -0.227 -1.864) 5.872 3.989 ( 9.645 1.210 8.036) 12.612 4.122 ( -9.660 2.632 13.867) 17.104 4.409 ( 8.684 1.763 9.325) 12.864 4.637 ( -0.931 -2.826 4.960) 5.784 4.890 ( -3.903 1.114 1.663) 4.387 5.241 ( 2.176 11.821 1.754) 12.147 5.349 ( 2.621 4.002 -4.791) 6.770 5.627 ( 6.768 -5.830 6.597) 11.105 5.729 ( 0.872 0.271 -15.547) 15.573 6.230 ( -4.685 -1.714 2.921) 5.781 6.565 ( -4.513 0.704 -10.854) 11.776 6.629 ( -5.305 -5.011 -12.944) 14.859 6.731 ( -0.386 -2.526 -4.039) 4.780 7.112 ( -0.714 9.028 -1.434) 9.169 7.469 ( -10.304 -5.346 -11.734) 16.506 12.888 ( 4.074 1.253 2.335) 4.860 13.010 ( -0.546 -0.527 0.187) 0.782 13.405 ( -0.924 1.057 2.699) 3.042 13.567 ( -1.618 0.524 -1.918) 2.563 17.339 ( 2.580 0.174 -1.853) 3.181 17.378 ( 1.028 -0.858 -1.309) 1.872 17.890 ( -3.544 -0.408 3.501) 4.999 18.075 ( -1.462 -1.732 -1.241) 2.584 18.174 ( -0.661 0.282 1.710) 1.855 18.276 ( 0.696 -1.450 -0.545) 1.699 28.355 ( -0.174 0.003 0.320) 0.365 28.366 ( -0.545 -0.475 0.016) 0.723 31.296 ( 13.304 -0.070 6.409) 14.767 31.918 ( 9.128 3.065 -13.248) 16.377 32.525 ( 4.440 2.007 -1.770) 5.184 32.634 ( 3.550 -5.958 -5.550) 8.883 34.306 ( -12.303 4.632 7.405) 15.088 34.416 ( -12.451 -3.615 7.152) 14.807 ======================= Grid point 264 (81/144) ======================= q-point: ( 0.27 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 12.405 1.988 13.226) 18.242 2.207 ( 11.798 -8.583 11.997) 18.889 2.398 ( 17.050 2.766 3.899) 17.707 2.684 ( 8.477 -2.085 18.877) 20.798 2.757 ( 11.922 -8.776 -3.522) 15.217 2.986 ( -2.167 4.060 -0.702) 4.655 3.442 ( 3.762 0.925 4.593) 6.009 3.702 ( 1.041 3.411 4.649) 5.860 3.734 ( 3.445 -8.808 5.410) 10.896 3.916 ( -5.859 -3.808 5.725) 9.034 4.179 ( 11.357 4.654 13.038) 17.906 4.499 ( 5.294 2.650 3.176) 6.718 4.667 ( 0.691 -2.301 11.457) 11.707 4.760 ( -8.690 1.832 4.934) 10.160 5.142 ( 0.020 12.016 0.228) 12.018 5.345 ( 3.294 6.764 -5.737) 9.462 5.729 ( -0.476 -0.313 -17.873) 17.882 5.779 ( 5.360 -2.077 3.861) 6.924 6.107 ( -11.190 -1.906 2.120) 11.547 6.476 ( -3.906 1.497 -7.131) 8.267 6.619 ( -4.222 -7.052 -16.926) 18.816 6.756 ( -0.278 -3.207 -3.661) 4.875 7.036 ( 3.099 8.202 -1.347) 8.871 7.396 ( -5.950 -4.971 -7.542) 10.816 12.922 ( 2.020 2.391 2.477) 3.991 13.006 ( -0.625 -1.226 0.674) 1.532 13.378 ( -0.759 1.239 2.614) 2.991 13.536 ( -1.385 0.726 -1.814) 2.395 17.372 ( 1.852 0.427 -0.741) 2.040 17.419 ( 2.236 -1.465 -2.672) 3.780 17.858 ( -1.731 -1.199 3.148) 3.787 18.071 ( -1.301 -1.942 -2.034) 3.099 18.164 ( 0.132 0.560 2.526) 2.591 18.310 ( 1.193 -1.930 -1.272) 2.602 28.351 ( -0.303 0.190 0.378) 0.521 28.365 ( -0.356 -0.618 -0.018) 0.714 31.487 ( 9.723 0.093 5.952) 11.400 31.957 ( 0.261 1.679 -7.493) 7.683 32.565 ( 4.262 2.968 -1.193) 5.329 32.816 ( 10.586 -4.084 -9.801) 14.994 34.063 ( -11.495 4.301 8.434) 14.892 34.290 ( -8.592 -4.808 4.112) 10.670 ======================= Grid point 265 (82/144) ======================= q-point: ( 0.36 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 10.236 5.395 9.751) 15.132 2.401 ( 1.909 -8.667 6.337) 10.905 2.630 ( 15.039 3.533 10.310) 18.573 2.787 ( -1.270 -3.042 24.023) 24.248 2.844 ( -1.552 1.189 3.657) 4.147 3.072 ( 11.532 0.362 2.315) 11.767 3.385 ( -5.759 4.960 10.142) 12.674 3.633 ( -2.372 -4.229 1.553) 5.092 3.885 ( 3.151 -9.235 6.243) 11.584 4.058 ( 7.678 -8.963 -6.218) 13.340 4.254 ( 2.622 3.239 6.941) 8.096 4.452 ( -3.254 10.195 11.304) 15.566 4.665 ( -6.827 -8.618 -0.327) 11.000 4.721 ( 5.988 1.311 11.141) 12.716 4.981 ( -5.284 11.440 -1.196) 12.658 5.292 ( -0.361 9.328 -5.733) 10.955 5.719 ( -2.191 0.172 -9.226) 9.485 5.775 ( -2.146 3.417 -7.725) 8.715 6.037 ( -2.196 -6.823 3.744) 8.087 6.424 ( -0.003 2.278 -6.999) 7.361 6.629 ( -3.479 -7.123 -16.619) 18.413 6.781 ( -0.358 -2.823 -4.973) 5.730 7.036 ( 4.939 5.879 1.130) 7.761 7.367 ( -2.522 -2.899 -4.029) 5.567 12.907 ( -1.141 1.193 3.022) 3.443 13.017 ( 0.858 -0.232 -0.160) 0.903 13.358 ( -0.251 0.936 2.563) 2.740 13.512 ( -0.677 0.623 -1.725) 1.955 17.392 ( 0.943 0.250 -0.005) 0.975 17.464 ( 1.430 -1.010 -3.111) 3.570 17.851 ( -0.839 -1.297 2.898) 3.284 18.071 ( -1.105 -1.824 -2.523) 3.303 18.168 ( 1.060 0.800 3.250) 3.511 18.350 ( 1.550 -1.328 -1.668) 2.636 28.343 ( -0.299 0.145 0.489) 0.591 28.368 ( 0.051 -0.443 -0.172) 0.478 31.594 ( 3.193 -0.026 4.657) 5.646 31.925 ( -2.895 -0.585 -4.345) 5.254 32.609 ( 5.767 4.335 -0.243) 7.219 33.013 ( 10.350 0.585 -12.861) 16.519 33.865 ( -8.118 2.071 10.691) 13.583 34.233 ( -5.025 -5.584 1.534) 7.667 ======================= Grid point 266 (83/144) ======================= q-point: ( 0.45 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 5.935 9.223 8.141) 13.659 2.440 ( -4.361 -2.579 0.706) 5.116 2.744 ( -4.119 -3.233 26.177) 26.696 2.773 ( -0.403 -2.319 1.576) 2.833 2.852 ( 5.832 5.192 24.144) 25.375 3.069 ( -6.572 3.047 5.632) 9.176 3.350 ( 7.404 3.794 8.944) 12.216 3.706 ( 0.126 -8.548 2.007) 8.782 4.002 ( -3.285 -11.465 4.076) 12.603 4.097 ( -4.806 9.963 -10.389) 15.175 4.282 ( 2.018 -0.990 1.440) 2.670 4.333 ( -1.419 1.660 13.586) 13.760 4.651 ( -6.000 -6.285 0.318) 8.695 4.765 ( -9.653 0.520 -1.277) 9.751 4.807 ( 5.992 2.390 8.143) 10.389 5.169 ( -0.683 10.150 -4.624) 11.174 5.657 ( -3.589 -1.588 -0.340) 3.939 5.764 ( 2.387 2.169 -13.594) 13.971 6.080 ( -1.172 -5.366 0.612) 5.527 6.423 ( 2.775 2.914 -7.683) 8.673 6.653 ( -2.378 -6.810 -14.766) 16.433 6.804 ( 0.340 -1.744 -5.514) 5.793 7.051 ( 3.954 6.260 2.492) 7.812 7.384 ( 1.774 -2.026 -2.814) 3.895 12.872 ( -2.552 -0.384 3.421) 4.285 13.032 ( 1.113 0.574 -1.076) 1.651 13.352 ( 0.405 0.625 2.547) 2.654 13.503 ( 0.232 0.355 -1.689) 1.741 17.395 ( -0.250 0.298 0.211) 0.442 17.481 ( -0.234 -0.233 -3.113) 3.130 17.855 ( -0.233 -1.203 2.900) 3.149 18.074 ( -0.701 -1.749 -2.646) 3.248 18.179 ( 1.503 1.279 3.520) 4.035 18.384 ( 1.714 -0.048 -1.864) 2.533 28.340 ( -0.007 0.015 0.610) 0.610 28.375 ( 0.534 -0.168 -0.354) 0.662 31.587 ( -3.958 -0.239 3.793) 5.487 31.881 ( -4.518 -2.385 -3.164) 6.009 32.658 ( 6.934 6.638 0.291) 9.603 33.101 ( 3.578 5.517 -13.611) 15.116 33.796 ( 0.777 -1.780 11.931) 12.088 34.238 ( -1.534 -5.741 -0.044) 5.943 ======================= Grid point 267 (84/144) ======================= q-point: (-0.45 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 1.121 12.613 7.239) 14.586 2.336 ( -8.393 0.930 8.168) 11.749 2.617 ( -14.089 5.636 7.698) 17.016 2.719 ( -3.223 -2.337 16.800) 17.265 2.877 ( -2.647 -3.339 9.008) 9.965 3.012 ( 1.570 3.344 11.775) 12.341 3.432 ( 3.460 0.954 9.688) 10.331 3.727 ( -0.840 4.075 -1.084) 4.299 3.884 ( -9.463 -0.731 2.970) 9.945 4.037 ( -6.257 -7.736 -0.513) 9.963 4.188 ( -6.929 9.226 0.740) 11.562 4.254 ( -8.832 1.469 11.185) 14.327 4.591 ( 0.081 -3.091 3.618) 4.759 4.797 ( -3.764 -15.357 -1.160) 15.854 4.854 ( 2.349 1.314 6.536) 7.069 5.106 ( 4.775 8.114 -4.715) 10.530 5.646 ( -1.874 -4.285 -1.458) 4.899 5.782 ( 1.753 1.392 -8.588) 8.875 6.111 ( -0.691 -4.441 -2.555) 5.170 6.446 ( 3.215 2.231 -8.949) 9.767 6.686 ( -2.044 -6.526 -13.283) 14.940 6.830 ( 1.387 -0.770 -4.969) 5.216 7.032 ( 2.739 7.846 2.606) 8.709 7.467 ( 6.249 -1.290 -4.666) 7.904 12.835 ( -3.172 -1.553 3.790) 5.180 13.041 ( 0.863 0.840 -1.785) 2.153 13.358 ( 1.019 0.474 2.503) 2.744 13.511 ( 0.955 -0.010 -1.756) 1.999 17.378 ( -1.341 0.425 0.018) 1.407 17.464 ( -1.474 0.614 -2.911) 3.320 17.868 ( 0.262 -1.150 3.240) 3.448 18.085 ( -0.107 -1.766 -2.508) 3.070 18.188 ( 1.554 1.824 3.377) 4.140 18.404 ( 1.681 1.463 -2.105) 3.065 28.344 ( 0.486 -0.073 0.711) 0.865 28.387 ( 0.937 0.216 -0.471) 1.070 31.481 ( -9.085 -0.080 4.111) 9.972 31.818 ( -7.417 -3.712 -3.738) 9.098 32.694 ( 6.942 8.613 0.231) 11.065 33.032 ( -2.478 7.493 -9.102) 12.047 33.913 ( 8.921 -3.613 8.452) 12.810 34.299 ( 2.034 -5.341 -0.488) 5.736 ======================= Grid point 268 (85/144) ======================= q-point: (-0.36 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -4.642 14.862 5.984) 16.680 2.177 ( -8.757 2.519 9.532) 13.187 2.281 ( -17.317 8.345 9.087) 21.262 2.633 ( -14.256 -4.241 0.097) 14.874 2.817 ( -2.699 6.653 20.402) 21.628 2.999 ( 1.702 3.258 3.825) 5.305 3.370 ( -7.450 -0.413 -0.966) 7.524 3.653 ( -2.853 9.719 11.393) 15.245 3.849 ( -5.087 -5.050 9.806) 12.147 3.907 ( -13.433 4.414 -1.402) 14.209 3.951 ( -2.443 -2.335 7.206) 7.959 4.198 ( -2.973 -5.889 7.081) 9.678 4.656 ( 1.299 -3.199 5.445) 6.448 4.821 ( -1.639 -0.798 -1.146) 2.153 4.887 ( -4.489 -9.534 4.282) 11.375 5.146 ( 7.379 4.613 -2.673) 9.104 5.662 ( -2.265 -4.139 -0.641) 4.762 5.778 ( -1.213 1.429 -8.445) 8.651 6.170 ( 1.897 -5.568 -4.597) 7.466 6.488 ( 3.050 -0.956 -7.942) 8.561 6.717 ( -2.632 -7.032 -12.001) 14.156 6.868 ( 2.658 -0.221 -2.631) 3.747 6.986 ( 2.754 9.495 1.322) 9.974 7.601 ( 9.153 0.107 -9.620) 13.279 12.801 ( -3.461 -2.161 4.033) 5.737 13.041 ( 0.271 0.958 -2.328) 2.532 13.373 ( 1.395 0.421 2.390) 2.799 13.532 ( 1.245 -0.488 -1.905) 2.328 17.347 ( -1.871 0.452 -0.302) 1.949 17.428 ( -1.477 1.205 -2.385) 3.053 17.887 ( 0.673 -1.213 3.893) 4.132 18.106 ( 0.505 -1.731 -2.175) 2.826 18.193 ( 1.601 1.966 2.897) 3.850 18.408 ( 1.583 2.936 -2.408) 4.114 28.357 ( 1.009 0.022 0.716) 1.238 28.400 ( 1.083 0.708 -0.470) 1.377 31.307 ( -11.716 0.530 4.767) 12.660 31.708 ( -11.402 -4.333 -5.367) 13.327 32.705 ( 5.847 9.630 -0.083) 11.266 32.907 ( -2.919 7.464 -5.060) 9.479 34.122 ( 11.294 -4.089 5.921) 13.391 34.412 ( 5.484 -4.949 -0.076) 7.387 ======================= Grid point 269 (86/144) ======================= q-point: (-0.27 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -12.165 12.711 4.755) 18.225 1.920 ( -15.668 8.425 10.072) 20.443 2.000 ( -7.568 7.138 3.434) 10.956 2.305 ( -22.778 7.494 2.206) 24.081 2.719 ( 1.475 6.583 18.415) 19.612 3.007 ( 2.642 3.903 -2.319) 5.253 3.252 ( -10.453 1.974 6.912) 12.686 3.391 ( -11.752 8.723 23.840) 27.974 3.694 ( -8.257 -3.134 0.534) 8.848 3.783 ( -6.786 -2.322 -2.735) 7.676 4.114 ( 6.981 -9.692 12.801) 17.507 4.204 ( -1.129 -2.416 7.144) 7.626 4.676 ( -0.664 -0.679 3.978) 4.090 4.807 ( -4.396 -5.317 -7.694) 10.334 4.900 ( -2.310 -5.737 5.420) 8.224 5.230 ( 6.371 1.556 1.806) 6.802 5.646 ( -3.064 -0.903 1.931) 3.732 5.702 ( -4.763 3.032 -10.546) 11.963 6.253 ( 0.819 -4.253 -7.372) 8.550 6.565 ( 2.665 -3.876 -8.530) 9.741 6.758 ( -2.066 -9.573 -5.199) 11.088 6.889 ( 1.707 5.808 2.532) 6.562 6.966 ( 5.397 4.204 -3.090) 7.506 7.749 ( 9.752 1.363 -16.018) 18.803 12.767 ( -3.339 -2.150 3.915) 5.577 13.028 ( -0.635 1.222 -2.906) 3.216 13.392 ( 1.291 0.282 2.292) 2.645 13.559 ( 1.120 -1.023 -2.055) 2.555 17.314 ( -1.425 0.340 -0.087) 1.468 17.398 ( -0.599 1.256 -1.704) 2.200 17.915 ( 1.074 -1.681 4.701) 5.107 18.136 ( 0.998 -1.622 -1.711) 2.560 18.202 ( 1.686 1.609 2.195) 3.201 18.398 ( 1.666 4.179 -2.672) 5.232 28.374 ( 1.307 0.388 0.517) 1.458 28.406 ( 0.910 1.185 -0.365) 1.538 31.106 ( -11.373 1.273 4.946) 12.467 31.536 ( -14.706 -3.427 -6.971) 16.631 32.686 ( 3.834 9.483 -0.267) 10.232 32.799 ( -1.079 7.152 -2.765) 7.743 34.344 ( 9.980 -4.883 5.325) 12.320 34.577 ( 8.414 -5.376 0.515) 9.998 ======================= Grid point 270 (87/144) ======================= q-point: (-0.18 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -12.957 6.007 6.324) 15.619 1.602 ( -12.755 8.486 11.187) 18.969 1.801 ( -6.165 11.788 0.233) 13.305 1.833 ( -15.642 16.306 9.414) 24.478 2.741 ( 4.862 4.545 13.803) 15.324 2.884 ( -7.467 17.897 27.552) 33.692 3.007 ( -3.352 4.298 -15.928) 16.835 3.279 ( -5.658 -7.229 29.337) 30.740 3.613 ( -7.352 -4.376 0.902) 8.604 3.707 ( -6.462 -3.856 -4.356) 8.695 4.231 ( 3.863 1.621 5.244) 6.712 4.295 ( 3.681 -7.058 15.716) 17.617 4.680 ( -0.228 -2.993 -2.534) 3.928 4.768 ( -6.535 -5.430 -11.993) 14.697 4.953 ( 0.516 -7.102 4.848) 8.615 5.313 ( 4.843 0.289 4.809) 6.830 5.549 ( -5.457 4.570 -1.679) 7.314 5.626 ( -2.776 -0.291 -2.586) 3.805 6.269 ( -1.097 -0.154 -7.089) 7.175 6.624 ( 0.830 -2.075 -15.685) 15.844 6.792 ( -0.305 4.086 1.019) 4.222 6.889 ( 0.956 -5.646 2.792) 6.371 7.037 ( 4.662 -0.479 -0.294) 4.696 7.876 ( 7.136 1.290 -20.883) 22.106 12.740 ( -2.278 -1.781 3.404) 4.467 12.996 ( -1.271 1.769 -3.451) 4.081 13.408 ( 0.682 -0.205 2.456) 2.557 13.587 ( 0.682 -1.337 -2.163) 2.633 17.298 ( -0.325 0.041 0.751) 0.820 17.383 ( -0.013 0.989 -1.219) 1.570 17.958 ( 1.220 -3.035 5.233) 6.171 18.169 ( 0.994 -1.564 -1.200) 2.207 18.214 ( 1.460 1.130 1.398) 2.316 18.378 ( 1.751 5.112 -2.982) 6.172 28.387 ( 0.969 0.999 0.099) 1.395 28.405 ( 0.517 1.413 -0.230) 1.522 30.935 ( -7.286 1.641 4.600) 8.772 31.320 ( -13.199 -0.476 -6.607) 14.768 32.640 ( 1.769 8.216 -0.200) 8.407 32.724 ( 0.170 6.522 -2.025) 6.832 34.525 ( 5.541 -5.325 5.693) 9.564 34.787 ( 8.771 -7.506 -0.245) 11.547 ======================= Grid point 271 (88/144) ======================= q-point: (-0.09 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -0.000 4.179 5.653) 7.030 1.398 ( -0.000 6.462 18.663) 19.750 1.486 ( -0.000 19.155 24.431) 31.045 1.669 ( -0.000 7.726 -9.283) 12.077 2.534 ( -0.000 20.522 45.438) 49.857 2.851 ( 0.000 -1.425 -10.945) 11.038 2.946 ( -0.000 2.050 -16.026) 16.156 3.292 ( 0.000 -3.926 43.121) 43.300 3.576 ( 0.000 -2.715 0.178) 2.721 3.676 ( 0.000 -2.647 -3.865) 4.685 4.254 ( -0.000 2.247 2.956) 3.713 4.376 ( 0.000 -4.188 20.326) 20.753 4.725 ( 0.000 -1.243 -4.933) 5.087 4.743 ( 0.000 -4.576 -18.381) 18.942 5.051 ( 0.000 -11.251 3.124) 11.677 5.360 ( -0.000 0.386 8.117) 8.126 5.452 ( -0.000 2.326 -0.134) 2.330 5.602 ( -0.000 0.156 0.288) 0.327 6.241 ( -0.000 3.077 -2.807) 4.165 6.643 ( 0.000 -0.492 -18.898) 18.905 6.732 ( -0.000 5.237 -3.643) 6.379 6.923 ( -0.000 3.162 0.871) 3.280 7.123 ( 0.000 -8.442 3.816) 9.264 7.930 ( -0.000 0.802 -21.400) 21.415 12.737 ( 0.000 -1.417 2.816) 3.152 12.963 ( -0.000 1.889 -3.360) 3.854 13.419 ( 0.000 -0.966 2.874) 3.032 13.606 ( 0.000 -1.177 -2.213) 2.506 17.298 ( 0.000 -0.111 1.132) 1.138 17.374 ( -0.000 0.689 -0.985) 1.202 18.010 ( 0.000 -4.701 4.672) 6.628 18.193 ( 0.000 -1.103 -0.733) 1.325 18.218 ( -0.000 0.955 0.637) 1.148 18.341 ( -0.000 5.869 -2.982) 6.583 28.382 ( -0.000 1.393 -0.057) 1.394 28.395 ( -0.000 1.245 -0.164) 1.256 30.857 ( -0.000 1.339 4.314) 4.517 31.187 ( -0.000 1.420 -4.707) 4.917 32.580 ( -0.000 6.139 -0.079) 6.139 32.666 ( -0.000 5.158 -2.352) 5.669 34.621 ( 0.000 -4.429 6.320) 7.717 34.959 ( 0.000 -8.549 -2.507) 8.910 ======================= Grid point 274 (89/144) ======================= q-point: ( 0.18 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 11.749 -0.000 19.293) 22.589 2.142 ( 17.538 -0.000 9.651) 20.018 2.450 ( 13.711 -0.000 2.524) 13.941 2.626 ( 19.627 -0.000 -7.163) 20.893 2.665 ( 6.250 -0.000 18.373) 19.407 3.034 ( -3.220 0.000 -0.151) 3.223 3.476 ( 13.876 -0.000 5.318) 14.861 3.605 ( -3.384 0.000 -3.164) 4.632 3.749 ( 3.576 -0.000 5.161) 6.279 3.874 ( -14.879 0.000 13.146) 19.854 4.240 ( 11.619 -0.000 12.954) 17.402 4.500 ( 1.186 -0.000 5.911) 6.029 4.630 ( 3.044 -0.000 6.797) 7.447 4.811 ( -6.968 0.000 10.500) 12.601 5.342 ( 0.143 -0.000 1.128) 1.137 5.376 ( 0.049 -0.000 -6.397) 6.397 5.726 ( 8.745 -0.000 4.383) 9.782 5.729 ( -0.320 0.000 -18.600) 18.603 6.086 ( -11.904 0.000 1.068) 11.952 6.480 ( -4.241 0.000 -6.032) 7.374 6.549 ( -2.911 0.000 -20.415) 20.622 6.719 ( 0.047 -0.000 -4.059) 4.059 7.166 ( 0.854 -0.000 -1.068) 1.367 7.303 ( -5.194 0.000 -6.799) 8.556 12.960 ( 3.643 -0.000 1.368) 3.891 12.981 ( -2.434 0.000 2.059) 3.188 13.394 ( -1.015 0.000 2.480) 2.680 13.544 ( -1.520 0.000 -1.772) 2.335 17.390 ( 1.140 -0.000 -0.746) 1.362 17.390 ( 3.120 -0.000 -2.658) 4.099 17.844 ( -1.779 0.000 2.716) 3.247 18.047 ( -1.082 0.000 -2.341) 2.579 18.172 ( 0.312 -0.000 2.469) 2.488 18.289 ( 1.710 -0.000 -0.458) 1.770 28.355 ( -0.570 0.000 0.204) 0.605 28.356 ( 0.086 -0.000 0.179) 0.199 31.488 ( 9.710 -0.000 6.041) 11.436 31.971 ( -2.072 0.000 -8.513) 8.761 32.623 ( 3.530 -0.000 -3.498) 4.969 32.757 ( 16.053 -0.000 -7.934) 17.907 34.145 ( -12.147 0.000 6.259) 13.665 34.197 ( -9.965 0.000 7.662) 12.570 ======================= Grid point 275 (90/144) ======================= q-point: ( 0.27 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 12.005 -0.777 14.485) 18.830 2.327 ( 6.519 2.050 10.515) 12.541 2.614 ( 5.301 -3.858 3.959) 7.659 2.810 ( 11.511 3.491 19.267) 22.713 2.864 ( 0.218 0.357 0.723) 0.835 3.056 ( 14.589 -1.348 0.969) 14.683 3.524 ( -2.980 8.542 4.525) 10.115 3.576 ( -8.258 -1.257 9.212) 12.435 3.760 ( 0.613 -3.253 6.075) 6.918 3.810 ( 3.276 -12.235 -3.473) 13.134 4.341 ( 3.359 3.956 16.132) 16.946 4.503 ( -2.801 -4.562 1.123) 5.470 4.648 ( -8.277 5.343 10.491) 14.392 4.726 ( 5.842 -0.566 6.992) 9.129 5.225 ( -5.479 10.255 -2.181) 11.830 5.380 ( -2.565 -0.901 -6.595) 7.133 5.737 ( 1.255 1.279 -12.527) 12.655 5.834 ( -2.315 2.236 -4.250) 5.331 5.904 ( -4.193 -5.168 2.032) 6.959 6.453 ( 0.470 -0.063 -7.318) 7.333 6.514 ( -2.985 -2.743 -18.575) 19.012 6.727 ( -0.175 -1.800 -5.183) 5.489 7.157 ( 3.184 5.304 0.387) 6.198 7.291 ( -1.060 -4.151 -1.997) 4.727 12.928 ( -3.168 0.653 3.177) 4.534 13.012 ( 2.381 -0.198 0.083) 2.391 13.376 ( -0.567 0.607 2.392) 2.532 13.522 ( -0.848 0.319 -1.686) 1.914 17.402 ( 0.926 0.631 -0.414) 1.195 17.441 ( 1.951 -1.057 -2.541) 3.374 17.829 ( -0.617 -0.636 2.090) 2.270 18.036 ( -1.117 -1.178 -2.903) 3.326 18.184 ( 1.412 0.543 3.101) 3.450 18.328 ( 2.451 -0.660 -0.707) 2.635 28.346 ( -0.391 0.087 0.372) 0.546 28.360 ( 0.252 -0.243 -0.000) 0.350 31.593 ( 2.960 -0.038 4.309) 5.228 31.911 ( -4.869 -0.534 -5.955) 7.711 32.699 ( 7.866 3.064 -1.570) 8.587 33.030 ( 16.501 0.673 -9.604) 19.104 33.926 ( -10.681 3.814 8.110) 13.943 34.098 ( -7.421 -6.391 4.147) 10.636 ======================= Grid point 276 (91/144) ======================= q-point: ( 0.36 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 10.600 4.320 10.229) 15.351 2.371 ( 0.874 -1.062 11.067) 11.152 2.666 ( -3.742 -3.553 10.741) 11.917 2.760 ( -5.862 0.775 0.550) 5.938 2.977 ( 12.144 5.791 22.817) 26.488 3.185 ( -9.818 8.832 5.392) 14.264 3.399 ( 8.676 -3.024 8.083) 12.237 3.582 ( 2.011 1.407 6.577) 7.020 3.766 ( -4.929 -11.458 2.634) 12.748 4.051 ( 5.833 -13.584 -2.143) 14.938 4.309 ( -1.228 3.890 4.632) 6.172 4.427 ( -9.888 5.449 5.867) 12.724 4.501 ( -3.451 -2.147 6.661) 7.804 4.784 ( -3.227 -0.899 0.687) 3.419 5.000 ( -5.006 11.200 0.313) 12.272 5.312 ( -3.339 3.287 -7.278) 8.656 5.646 ( -6.271 0.577 5.553) 8.396 5.813 ( 3.474 2.416 -16.575) 17.107 5.967 ( -0.010 -4.852 -1.129) 4.982 6.478 ( 2.880 1.361 -10.337) 10.817 6.514 ( -1.992 -5.216 -14.196) 15.255 6.751 ( 0.153 -2.960 -5.890) 6.594 7.171 ( 4.509 5.149 2.526) 7.295 7.329 ( 1.617 -3.029 0.039) 3.434 12.868 ( -3.725 -0.044 3.865) 5.368 13.043 ( 1.653 0.454 -1.356) 2.186 13.367 ( 0.260 0.710 2.397) 2.513 13.513 ( 0.202 0.482 -1.658) 1.738 17.403 ( -0.125 0.487 -0.004) 0.503 17.470 ( 0.434 -0.733 -2.531) 2.670 17.832 ( -0.110 -0.887 1.785) 1.996 18.033 ( -1.084 -1.892 -3.058) 3.756 18.204 ( 2.040 1.059 3.499) 4.186 18.376 ( 2.614 -0.532 -0.941) 2.828 28.341 ( -0.014 0.122 0.527) 0.542 28.370 ( 0.631 -0.327 -0.233) 0.748 31.584 ( -3.826 -0.066 2.790) 4.736 31.837 ( -5.711 -1.753 -4.728) 7.618 32.800 ( 9.944 6.201 0.151) 11.720 33.233 ( 11.284 6.687 -10.605) 16.868 33.770 ( -4.260 -0.304 10.254) 11.108 34.080 ( -4.368 -8.928 1.186) 10.010 ======================= Grid point 277 (92/144) ======================= q-point: (-0.55 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 6.554 12.565 9.969) 17.327 2.365 ( -3.093 0.820 8.508) 9.090 2.590 ( -10.799 -3.682 7.471) 13.638 2.700 ( -1.857 -3.156 13.014) 13.519 2.879 ( -14.784 5.433 1.815) 15.855 3.083 ( 5.943 4.219 19.847) 21.142 3.481 ( -0.321 3.270 12.274) 12.706 3.625 ( -0.269 -7.912 8.212) 11.407 3.839 ( 0.852 -6.758 1.023) 6.888 4.107 ( -7.226 9.783 -8.726) 14.969 4.239 ( -9.674 -3.445 5.752) 11.770 4.284 ( -2.306 -0.739 1.874) 3.062 4.475 ( -3.773 -8.901 9.007) 13.213 4.622 ( -6.945 2.938 -2.625) 7.984 4.943 ( 4.437 5.320 3.700) 7.854 5.245 ( 1.030 4.859 -6.033) 7.815 5.584 ( -2.844 -1.527 4.979) 5.934 5.824 ( 0.970 2.809 -8.934) 9.415 5.998 ( -2.104 -5.601 -6.729) 9.005 6.504 ( 2.331 1.956 -14.287) 14.608 6.546 ( -1.438 -5.846 -10.044) 11.710 6.789 ( 0.595 -3.013 -6.008) 6.748 7.179 ( 3.474 6.269 3.485) 7.970 7.420 ( 5.871 -3.064 -0.401) 6.634 12.811 ( -3.770 -0.816 4.368) 5.828 13.059 ( 1.118 0.833 -2.582) 2.935 13.371 ( 1.122 0.683 2.364) 2.705 13.518 ( 1.134 0.614 -1.722) 2.151 17.387 ( -1.278 0.439 0.123) 1.357 17.470 ( -0.774 0.029 -2.482) 2.600 17.842 ( 0.113 -1.108 1.880) 2.185 18.040 ( -0.789 -2.416 -3.042) 3.964 18.224 ( 1.968 1.573 3.604) 4.398 18.419 ( 2.263 0.082 -1.173) 2.550 28.344 ( 0.584 0.129 0.678) 0.904 28.387 ( 1.090 -0.242 -0.461) 1.208 31.481 ( -8.435 0.154 2.723) 8.865 31.755 ( -7.311 -2.450 -4.333) 8.844 32.879 ( 8.722 8.554 0.366) 12.222 33.222 ( 0.429 11.329 -5.810) 12.739 33.837 ( 8.252 -3.876 6.720) 11.326 34.138 ( -0.546 -10.080 -0.582) 10.112 ======================= Grid point 278 (93/144) ======================= q-point: (-0.45 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -0.872 17.551 4.750) 18.204 2.241 ( -8.642 3.639 12.168) 15.362 2.410 ( -11.957 1.520 5.573) 13.279 2.563 ( -14.267 0.930 6.214) 15.589 2.788 ( 0.171 -6.610 13.207) 14.770 3.077 ( -0.727 4.839 11.143) 12.170 3.411 ( -6.295 0.844 6.012) 8.746 3.675 ( -4.398 -9.148 9.998) 14.248 3.838 ( -11.095 -2.155 -0.532) 11.315 3.899 ( 2.524 13.365 -1.128) 13.648 4.102 ( -6.113 -2.353 12.362) 13.990 4.118 ( -11.268 5.674 0.044) 12.616 4.573 ( -3.040 -13.111 4.289) 14.126 4.609 ( 4.324 -0.924 2.169) 4.925 4.957 ( 3.866 6.609 5.272) 9.296 5.250 ( 4.792 4.343 -5.689) 8.613 5.570 ( -2.099 -3.630 3.297) 5.335 5.798 ( -1.634 0.829 -5.475) 5.774 6.031 ( -1.555 -7.568 -8.580) 11.545 6.511 ( 1.537 2.868 -11.105) 11.571 6.579 ( -2.496 -6.809 -13.071) 14.948 6.829 ( 0.551 -3.070 -5.822) 6.605 7.159 ( 2.690 7.308 3.959) 8.736 7.573 ( 9.029 -2.687 -3.879) 10.187 12.764 ( -3.508 -1.432 4.766) 6.089 13.063 ( 0.663 1.118 -3.463) 3.699 13.387 ( 1.735 0.758 2.140) 2.857 13.534 ( 1.516 0.669 -1.885) 2.509 17.356 ( -1.960 0.407 0.129) 2.006 17.449 ( -1.092 0.811 -2.285) 2.659 17.858 ( 0.223 -1.429 2.398) 2.800 18.058 ( -0.342 -2.832 -2.901) 4.069 18.235 ( 1.598 1.912 3.417) 4.230 18.446 ( 1.698 0.871 -1.502) 2.429 28.358 ( 1.228 0.136 0.776) 1.459 28.408 ( 1.365 0.105 -0.589) 1.490 31.320 ( -10.675 0.691 3.555) 11.273 31.643 ( -9.580 -2.223 -4.583) 10.850 32.903 ( 4.940 8.573 -0.129) 9.895 33.094 ( -0.376 11.730 -1.892) 11.888 34.044 ( 11.352 -3.536 3.855) 12.499 34.262 ( 3.162 -9.707 -1.298) 10.292 ======================= Grid point 279 (94/144) ======================= q-point: (-0.36 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -19.129 13.270 0.795) 23.294 2.047 ( -10.835 5.979 3.080) 12.753 2.202 ( -4.859 10.887 9.379) 15.169 2.368 ( -8.333 1.649 8.456) 11.986 2.836 ( -0.857 1.018 27.113) 27.145 3.005 ( -3.609 -2.545 -0.888) 4.505 3.254 ( -6.900 5.231 -0.914) 8.706 3.630 ( -12.119 -4.324 -1.078) 12.913 3.681 ( -7.055 -3.215 8.963) 11.851 3.800 ( -8.793 16.745 8.463) 20.721 3.935 ( 5.335 -3.062 4.438) 7.585 4.140 ( 2.176 -4.502 12.596) 13.552 4.609 ( -5.951 -8.517 0.321) 10.396 4.686 ( 1.891 -2.034 0.605) 2.843 4.931 ( 2.693 7.853 9.526) 12.636 5.292 ( 5.026 3.376 -2.721) 6.638 5.587 ( -1.248 -4.294 1.202) 4.630 5.748 ( -4.044 0.565 -7.118) 8.206 6.111 ( 0.520 -9.351 -8.338) 12.540 6.506 ( 0.162 -0.231 -6.260) 6.266 6.606 ( -2.157 -6.197 -15.489) 16.822 6.875 ( 0.835 -4.101 -4.455) 6.112 7.120 ( 2.273 8.145 4.165) 9.426 7.748 ( 9.318 -1.617 -9.373) 13.315 12.727 ( -2.981 -1.708 4.902) 5.986 13.056 ( 0.133 1.511 -4.063) 4.337 13.408 ( 1.820 0.989 1.688) 2.672 13.551 ( 1.262 0.406 -2.058) 2.448 17.321 ( -1.737 0.279 0.446) 1.815 17.424 ( -0.624 1.215 -1.932) 2.366 17.878 ( 0.283 -1.829 3.271) 3.758 18.086 ( 0.064 -3.086 -2.605) 4.039 18.239 ( 1.295 1.851 2.968) 3.730 18.456 ( 1.241 1.652 -1.915) 2.816 28.380 ( 1.594 0.213 0.718) 1.762 28.426 ( 1.247 0.658 -0.565) 1.519 31.135 ( -10.307 1.484 4.260) 11.251 31.492 ( -10.876 -1.022 -5.078) 12.047 32.866 ( 0.451 6.767 0.307) 6.789 32.990 ( 2.741 12.656 -1.058) 12.993 34.253 ( 9.331 -4.009 3.344) 10.692 34.430 ( 5.695 -8.915 -1.647) 10.706 ======================= Grid point 280 (95/144) ======================= q-point: (-0.27 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -19.599 8.191 4.055) 21.625 1.777 ( -11.562 8.289 -2.167) 14.390 2.026 ( -2.483 12.312 4.679) 13.403 2.204 ( -2.831 17.170 15.272) 23.153 2.770 ( -0.358 1.474 11.087) 11.191 3.030 ( -6.521 -10.708 24.847) 27.830 3.133 ( 1.842 7.603 -11.408) 13.833 3.442 ( -5.659 24.910 25.307) 35.958 3.514 ( -7.389 -4.375 0.651) 8.611 3.615 ( -7.524 -5.257 -3.391) 9.785 4.106 ( 4.988 -9.592 6.797) 12.771 4.239 ( 5.922 -1.714 8.483) 10.486 4.560 ( -9.177 -7.711 -2.645) 12.275 4.709 ( 0.062 0.063 -1.819) 1.821 4.910 ( 1.874 3.159 10.911) 11.512 5.342 ( 4.342 1.966 0.811) 4.834 5.600 ( -0.954 -1.340 0.022) 1.645 5.653 ( -4.902 3.109 -7.738) 9.673 6.205 ( 0.167 -6.485 -10.941) 12.720 6.541 ( 0.516 -5.493 -3.541) 6.556 6.643 ( -1.214 -7.194 -12.637) 14.592 6.932 ( 1.008 -2.818 -0.540) 3.041 7.072 ( 1.693 6.679 2.857) 7.459 7.889 ( 6.235 -0.426 -15.389) 16.610 12.704 ( -1.919 -1.679 4.618) 5.275 13.036 ( -0.311 2.079 -4.432) 4.905 13.422 ( 1.135 1.259 1.277) 2.122 13.566 ( 0.661 -0.328 -2.125) 2.249 17.299 ( -0.749 0.001 1.142) 1.366 17.406 ( -0.113 1.230 -1.552) 1.984 17.904 ( 0.303 -2.365 4.338) 4.950 18.120 ( 0.266 -3.102 -2.134) 3.774 18.240 ( 0.946 1.425 2.327) 2.888 18.454 ( 0.930 2.318 -2.418) 3.477 28.401 ( 1.245 0.415 0.411) 1.376 28.433 ( 0.721 1.213 -0.433) 1.476 30.974 ( -6.654 2.152 4.443) 8.286 31.327 ( -8.692 1.087 -5.161) 10.167 32.799 ( -0.268 6.109 0.857) 6.175 32.907 ( 2.215 12.241 -1.091) 12.488 34.417 ( 5.109 -5.055 3.818) 8.139 34.616 ( 5.344 -9.177 -2.074) 10.820 ======================= Grid point 281 (96/144) ======================= q-point: (-0.18 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -0.000 5.108 7.230) 8.852 1.574 ( -0.000 9.765 1.940) 9.956 1.878 ( -0.000 12.260 0.698) 12.280 1.943 ( -0.000 24.275 18.308) 30.405 2.807 ( 0.000 -2.830 -7.449) 7.968 2.975 ( -0.000 5.034 24.241) 24.758 3.092 ( -0.000 21.927 17.066) 27.786 3.186 ( 0.000 -0.335 21.727) 21.730 3.497 ( 0.000 -4.904 0.246) 4.911 3.600 ( 0.000 -4.785 -3.498) 5.927 4.242 ( 0.000 -8.966 11.451) 14.544 4.309 ( -0.000 2.675 3.795) 4.642 4.559 ( 0.000 -11.591 -8.073) 14.126 4.705 ( 0.000 -0.213 -2.233) 2.243 4.919 ( 0.000 -1.673 8.237) 8.405 5.373 ( -0.000 0.875 3.813) 3.912 5.547 ( -0.000 6.084 -6.167) 8.663 5.602 ( 0.000 -0.249 -0.617) 0.666 6.248 ( 0.000 -2.533 -11.114) 11.399 6.600 ( 0.000 -4.006 -12.088) 12.735 6.729 ( 0.000 -10.895 -1.008) 10.941 6.922 ( -0.000 6.006 3.495) 6.949 7.064 ( 0.000 -1.000 0.349) 1.059 7.943 ( -0.000 0.346 -20.178) 20.181 12.704 ( 0.000 -1.650 4.022) 4.347 13.009 ( -0.000 2.453 -4.314) 4.963 13.419 ( -0.000 0.975 1.547) 1.829 13.579 ( 0.000 -1.092 -2.142) 2.405 17.295 ( 0.000 -0.174 1.441) 1.451 17.393 ( -0.000 1.115 -1.280) 1.697 17.935 ( 0.000 -2.984 5.191) 5.987 18.153 ( 0.000 -2.700 -1.546) 3.112 18.237 ( -0.000 1.043 1.648) 1.950 18.436 ( -0.000 3.220 -3.068) 4.448 28.406 ( -0.000 0.801 0.030) 0.801 28.424 ( -0.000 1.497 -0.307) 1.529 30.895 ( -0.000 2.241 4.366) 4.908 31.227 ( -0.000 2.424 -4.729) 5.314 32.732 ( -0.000 7.082 0.209) 7.085 32.810 ( -0.000 9.880 -0.898) 9.920 34.514 ( 0.000 -5.542 4.704) 7.269 34.765 ( 0.000 -10.021 -2.305) 10.282 ======================= Grid point 286 (97/144) ======================= q-point: ( 0.27 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 11.246 -0.000 11.662) 16.201 2.401 ( 0.529 -0.000 17.738) 17.746 2.623 ( 0.465 -0.000 2.796) 2.835 2.772 ( -8.332 0.000 1.450) 8.457 3.049 ( 13.206 -0.000 21.126) 24.914 3.293 ( -14.427 0.000 9.257) 17.142 3.389 ( 18.846 -0.000 -1.905) 18.942 3.556 ( -11.642 0.000 1.427) 11.729 3.710 ( 4.304 -0.000 14.366) 14.997 3.826 ( 4.426 -0.000 -1.028) 4.544 4.367 ( -10.407 0.000 -0.182) 10.409 4.403 ( 1.478 -0.000 18.117) 18.178 4.569 ( -3.955 0.000 3.061) 5.001 4.763 ( -4.245 0.000 -1.816) 4.617 5.135 ( -9.339 0.000 -1.873) 9.525 5.327 ( -2.307 0.000 -7.373) 7.725 5.660 ( -8.058 0.000 7.910) 11.292 5.847 ( 5.608 -0.000 -19.767) 20.547 5.910 ( 0.778 -0.000 0.285) 0.829 6.431 ( -3.087 0.000 -21.459) 21.680 6.516 ( 4.450 -0.000 -4.488) 6.320 6.713 ( -0.391 0.000 -6.658) 6.670 7.245 ( 4.334 -0.000 1.926) 4.743 7.276 ( 1.701 -0.000 2.233) 2.807 12.868 ( -4.167 0.000 4.072) 5.826 13.048 ( 1.868 -0.000 -1.447) 2.363 13.375 ( 0.089 -0.000 2.318) 2.320 13.518 ( 0.225 -0.000 -1.645) 1.660 17.410 ( -0.297 0.000 -0.227) 0.374 17.460 ( 0.923 -0.000 -2.095) 2.290 17.823 ( 0.091 -0.000 1.176) 1.180 18.012 ( -1.112 0.000 -3.202) 3.390 18.216 ( 2.102 -0.000 3.429) 4.022 18.369 ( 2.907 -0.000 -0.476) 2.945 28.343 ( 0.033 -0.000 0.452) 0.453 28.366 ( 0.618 -0.000 -0.134) 0.632 31.584 ( -3.692 0.000 2.429) 4.420 31.818 ( -5.940 0.000 -5.543) 8.124 32.870 ( 10.533 -0.000 0.054) 10.533 33.316 ( 17.148 -0.000 -9.117) 19.421 33.785 ( -8.938 0.000 8.545) 12.365 33.953 ( -5.426 0.000 2.619) 6.025 ======================= Grid point 287 (98/144) ======================= q-point: ( 0.36 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 8.949 -0.035 8.641) 12.440 2.376 ( -2.190 0.790 22.787) 22.906 2.586 ( -7.274 3.119 0.917) 7.967 2.644 ( -4.725 -2.174 4.657) 6.981 3.002 ( -15.857 5.336 4.757) 17.393 3.181 ( 0.049 4.027 14.451) 15.002 3.386 ( -3.451 -7.627 11.863) 14.520 3.664 ( 1.441 5.857 6.331) 8.745 3.747 ( 11.146 0.685 4.086) 11.891 3.967 ( 0.778 -13.842 6.098) 15.145 4.191 ( -9.193 -1.583 5.378) 10.767 4.361 ( -9.196 3.207 4.876) 10.892 4.483 ( -3.215 5.762 -1.650) 6.802 4.635 ( -6.228 -2.006 -3.838) 7.585 5.033 ( -1.089 2.551 0.054) 2.774 5.296 ( -0.808 0.652 -7.113) 7.188 5.581 ( -1.852 0.588 10.512) 10.690 5.878 ( -2.352 0.895 -1.906) 3.157 5.928 ( 1.703 -0.123 -15.863) 15.955 6.402 ( -3.187 -4.763 -19.698) 20.514 6.583 ( 4.431 2.870 -6.739) 8.561 6.722 ( -0.195 -2.954 -7.458) 8.024 7.281 ( 3.125 3.742 3.991) 6.301 7.356 ( 5.602 -2.930 2.644) 6.853 12.801 ( -4.129 -0.238 4.754) 6.301 13.071 ( 1.274 0.353 -2.975) 3.255 13.382 ( 0.963 0.295 2.332) 2.540 13.530 ( 1.409 0.373 -1.743) 2.272 17.395 ( -1.435 0.230 0.119) 1.458 17.467 ( -0.093 -0.159 -2.020) 2.029 17.828 ( 0.270 -0.293 0.633) 0.748 18.000 ( -1.073 -1.197 -3.282) 3.654 18.247 ( 2.005 0.610 3.633) 4.194 18.415 ( 2.509 -0.198 -0.445) 2.556 28.348 ( 0.688 0.158 0.537) 0.887 28.381 ( 1.107 -0.245 -0.317) 1.177 31.485 ( -8.073 0.126 1.970) 8.311 31.721 ( -6.714 -0.869 -5.238) 8.559 33.006 ( 7.498 3.387 1.270) 8.325 33.481 ( 6.362 12.892 -5.479) 15.385 33.743 ( 5.242 -6.442 5.383) 9.898 33.933 ( -1.946 -7.533 0.962) 7.840 ======================= Grid point 288 (99/144) ======================= q-point: (-0.55 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -15.546 -1.826 15.771) 22.220 2.382 ( -3.997 10.229 10.712) 15.341 2.400 ( 2.069 1.373 1.743) 3.034 2.655 ( -1.118 -1.690 10.979) 11.164 2.680 ( -12.742 4.788 0.187) 13.614 3.102 ( -7.218 -6.372 6.965) 11.883 3.417 ( -2.990 4.477 17.642) 18.445 3.584 ( -1.109 0.233 6.482) 6.581 3.807 ( -8.589 -1.212 1.610) 8.823 3.973 ( -12.476 -8.470 2.587) 15.299 4.140 ( 2.668 5.897 3.345) 7.286 4.207 ( -3.622 1.437 4.975) 6.320 4.381 ( -1.547 -0.668 7.590) 7.775 4.644 ( 4.545 1.426 -2.210) 5.252 5.038 ( 3.487 0.922 -0.782) 3.690 5.302 ( 2.487 0.693 -6.186) 6.703 5.555 ( -0.812 1.733 10.251) 10.428 5.814 ( -4.789 -0.753 1.543) 5.087 5.918 ( -2.573 -0.481 -16.800) 17.003 6.425 ( -2.219 -7.753 -17.997) 19.721 6.592 ( 1.544 4.238 -9.035) 10.098 6.758 ( -0.118 -3.744 -7.853) 8.700 7.280 ( 2.110 4.601 4.659) 6.879 7.505 ( 8.376 -3.577 0.519) 9.123 12.742 ( -3.599 -0.673 5.319) 6.457 13.083 ( 0.915 0.766 -4.171) 4.339 13.400 ( 1.638 0.404 2.239) 2.803 13.553 ( 2.093 0.934 -2.002) 3.043 17.362 ( -2.148 0.230 0.500) 2.218 17.461 ( -0.582 0.326 -2.081) 2.186 17.836 ( 0.220 -0.596 0.609) 0.880 18.002 ( -0.852 -2.317 -3.328) 4.144 18.266 ( 1.423 1.095 3.669) 4.085 18.451 ( 1.692 -0.111 -0.588) 1.795 28.362 ( 1.341 0.274 0.643) 1.512 28.405 ( 1.511 -0.292 -0.498) 1.618 31.332 ( -10.027 0.490 2.736) 10.405 31.613 ( -7.865 -0.871 -4.976) 9.348 33.031 ( 0.675 4.140 2.105) 4.693 33.382 ( 3.267 15.869 -1.349) 16.258 33.974 ( 12.475 -4.809 0.484) 13.379 34.032 ( 1.987 -10.987 0.085) 11.165 ======================= Grid point 289 (100/144) ======================= q-point: (-0.45 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -26.963 1.946 2.895) 27.188 2.192 ( -10.516 7.669 0.417) 13.022 2.404 ( 1.688 8.058 5.363) 9.826 2.436 ( -2.540 5.207 16.934) 17.898 2.731 ( 0.448 -6.264 12.522) 14.009 3.052 ( -5.939 -0.153 6.375) 8.714 3.301 ( -4.838 0.129 8.452) 9.740 3.497 ( -10.628 -2.671 0.016) 10.958 3.615 ( -12.520 -2.244 2.651) 12.993 3.972 ( -0.253 -7.529 7.103) 10.354 4.006 ( -5.158 8.726 1.183) 10.206 4.173 ( 5.785 11.617 11.927) 17.626 4.427 ( -2.046 -7.430 12.589) 14.761 4.712 ( 5.828 3.005 -2.172) 6.907 5.101 ( 6.356 4.950 1.592) 8.212 5.344 ( 3.219 1.676 -4.062) 5.447 5.517 ( -1.778 -0.381 6.666) 6.909 5.739 ( -5.617 -0.679 -2.248) 6.088 5.907 ( -3.211 -8.936 -10.746) 14.340 6.470 ( -2.094 -7.212 -14.894) 16.681 6.561 ( 0.304 4.127 -12.152) 12.837 6.789 ( -0.647 -3.897 -8.269) 9.164 7.259 ( 1.639 5.472 5.218) 7.737 7.685 ( 8.482 -4.233 -3.574) 10.131 12.699 ( -2.770 -1.012 5.693) 6.412 13.085 ( 0.580 1.230 -4.950) 5.134 13.424 ( 1.779 0.478 1.879) 2.631 13.574 ( 1.928 1.528 -2.334) 3.391 17.325 ( -2.049 0.143 0.990) 2.280 17.445 ( -0.489 0.833 -2.047) 2.264 17.848 ( 0.126 -1.072 1.121) 1.556 18.019 ( -0.508 -3.194 -3.312) 4.629 18.272 ( 0.857 1.333 3.521) 3.862 18.472 ( 0.934 0.132 -0.877) 1.288 28.384 ( 1.657 0.278 0.712) 1.825 28.432 ( 1.486 -0.023 -0.588) 1.598 31.163 ( -9.469 1.168 3.754) 10.253 31.485 ( -8.196 0.107 -4.871) 9.535 32.970 ( -2.337 3.823 3.247) 5.533 33.287 ( 4.401 15.676 -2.559) 16.482 34.175 ( 6.673 -4.951 2.035) 8.555 34.227 ( 7.743 -9.512 -2.110) 12.445 ======================= Grid point 290 (101/144) ======================= q-point: (-0.36 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -23.211 4.963 3.273) 23.961 1.932 ( -10.275 6.963 -7.610) 14.559 2.276 ( -1.425 11.406 6.583) 13.246 2.470 ( 8.937 7.308 17.817) 21.231 2.798 ( -1.421 -8.369 23.716) 25.190 2.874 ( -9.959 7.394 6.321) 13.921 3.254 ( -0.004 1.939 -0.555) 2.017 3.398 ( -7.988 -6.507 -0.712) 10.327 3.492 ( -7.430 -6.122 -0.702) 9.653 3.810 ( -4.757 8.580 1.317) 9.899 4.104 ( 7.493 8.894 14.734) 18.771 4.145 ( 3.108 -3.637 11.593) 12.541 4.424 ( -6.495 -5.158 9.299) 12.460 4.752 ( 3.098 3.762 -2.740) 5.591 5.085 ( 2.971 13.043 8.421) 15.807 5.376 ( 3.030 1.003 -1.783) 3.656 5.539 ( 0.577 -4.636 0.371) 4.686 5.654 ( -6.257 -2.377 -4.735) 8.199 5.998 ( -0.404 -13.053 -7.495) 15.058 6.486 ( -1.813 -1.992 -5.442) 6.072 6.544 ( 0.115 -1.290 -19.966) 20.008 6.825 ( -0.370 -5.301 -7.802) 9.440 7.221 ( 1.058 6.426 5.895) 8.784 7.845 ( 5.553 -3.905 -8.076) 10.550 12.674 ( -1.622 -1.173 5.699) 6.040 13.076 ( 0.196 1.762 -5.335) 5.622 13.443 ( 1.213 0.658 1.282) 1.883 13.581 ( 1.026 1.702 -2.525) 3.213 17.298 ( -1.119 -0.055 1.605) 1.957 17.430 ( -0.166 1.087 -1.870) 2.169 17.863 ( 0.061 -1.635 2.071) 2.640 18.049 ( -0.164 -3.702 -3.124) 4.847 18.269 ( 0.480 1.304 3.206) 3.494 18.480 ( 0.445 0.479 -1.266) 1.425 28.407 ( 1.244 0.222 0.652) 1.422 28.450 ( 0.906 0.456 -0.559) 1.158 31.017 ( -6.024 1.973 4.347) 7.686 31.357 ( -5.974 1.662 -4.854) 7.874 32.897 ( -1.488 3.863 3.784) 5.608 33.192 ( 2.860 15.046 -3.025) 15.612 34.316 ( 3.873 -5.546 2.420) 7.184 34.426 ( 5.130 -8.697 -2.707) 10.454 ======================= Grid point 291 (102/144) ======================= q-point: (-0.27 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -0.000 5.605 5.921) 8.153 1.763 ( -0.000 8.400 -7.358) 11.166 2.140 ( -0.000 12.718 5.347) 13.797 2.427 ( -0.000 21.802 17.478) 27.943 2.741 ( 0.000 -3.414 -2.784) 4.406 2.863 ( 0.000 -8.839 39.819) 40.788 3.230 ( -0.000 6.173 -10.331) 12.034 3.384 ( 0.000 -5.929 0.370) 5.941 3.488 ( 0.000 -6.025 -2.835) 6.658 3.644 ( -0.000 18.630 17.439) 25.518 4.088 ( 0.000 -0.602 9.115) 9.134 4.324 ( 0.000 -11.216 3.647) 11.794 4.342 ( -0.000 0.303 7.517) 7.523 4.737 ( -0.000 3.444 -2.484) 4.246 4.988 ( -0.000 8.961 11.297) 14.419 5.396 ( -0.000 1.323 -0.138) 1.330 5.589 ( 0.000 -1.106 -2.067) 2.344 5.611 ( 0.000 -1.933 -4.672) 5.057 6.122 ( 0.000 -10.563 -9.881) 14.464 6.491 ( 0.000 -3.308 -1.259) 3.539 6.577 ( 0.000 -4.533 -19.456) 19.977 6.885 ( 0.000 -6.441 -5.171) 8.260 7.159 ( -0.000 7.453 5.777) 9.430 7.926 ( 0.000 -2.466 -12.235) 12.481 12.673 ( 0.000 -1.317 5.282) 5.444 13.057 ( -0.000 2.204 -5.241) 5.685 13.445 ( -0.000 1.122 0.843) 1.403 13.575 ( -0.000 0.932 -2.363) 2.541 17.291 ( 0.000 -0.199 1.838) 1.849 17.417 ( -0.000 1.177 -1.650) 2.027 17.883 ( 0.000 -2.161 3.282) 3.929 18.087 ( 0.000 -3.725 -2.699) 4.600 18.261 ( -0.000 1.216 2.761) 3.017 18.477 ( -0.000 1.027 -1.784) 2.058 28.415 ( -0.000 0.244 0.479) 0.537 28.450 ( -0.000 0.934 -0.484) 1.052 30.943 ( -0.000 2.420 4.448) 5.064 31.280 ( -0.000 2.689 -4.776) 5.481 32.845 ( -0.000 4.379 3.116) 5.374 33.066 ( -0.000 14.356 -2.276) 14.536 34.405 ( 0.000 -5.339 3.037) 6.143 34.562 ( 0.000 -9.592 -3.107) 10.083 ======================= Grid point 298 (103/144) ======================= q-point: ( 0.36 -0.64 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -16.365 0.000 14.342) 21.760 2.414 ( 3.067 -0.000 3.731) 4.830 2.490 ( -3.291 0.000 18.228) 18.522 2.616 ( 1.106 -0.000 1.347) 1.743 2.842 ( -9.093 0.000 4.813) 10.288 2.922 ( -19.646 0.000 2.216) 19.771 3.491 ( 11.367 -0.000 19.936) 22.949 3.691 ( -6.925 0.000 0.894) 6.982 3.719 ( -11.739 0.000 6.083) 13.222 3.853 ( -10.924 0.000 0.760) 10.951 4.143 ( 3.980 -0.000 17.894) 18.332 4.228 ( 0.070 -0.000 8.092) 8.092 4.462 ( -4.452 0.000 -7.240) 8.500 4.633 ( 5.144 -0.000 -3.106) 6.009 5.038 ( 1.564 -0.000 -0.323) 1.596 5.301 ( 1.022 -0.000 -6.591) 6.670 5.581 ( 0.364 -0.000 10.475) 10.481 5.784 ( -7.087 0.000 -0.259) 7.091 5.969 ( 0.383 -0.000 -13.461) 13.466 6.316 ( -3.672 0.000 -19.396) 19.740 6.669 ( 3.211 -0.000 -8.259) 8.861 6.687 ( -1.372 0.000 -9.743) 9.840 7.334 ( 1.491 -0.000 4.787) 5.014 7.458 ( 8.236 -0.000 2.058) 8.490 12.736 ( -3.642 0.000 5.532) 6.623 13.091 ( 0.989 -0.000 -4.405) 4.515 13.404 ( 1.542 -0.000 2.338) 2.801 13.564 ( 2.360 -0.000 -2.076) 3.143 17.365 ( -2.256 0.000 0.660) 2.351 17.464 ( -0.319 0.000 -1.977) 2.003 17.831 ( 0.280 -0.000 -0.247) 0.374 17.976 ( -1.055 0.000 -3.392) 3.552 18.278 ( 1.346 -0.000 3.713) 3.950 18.449 ( 1.711 -0.000 -0.221) 1.725 28.366 ( 1.383 -0.000 0.517) 1.476 28.401 ( 1.547 -0.000 -0.386) 1.594 31.338 ( -9.829 0.000 2.472) 10.135 31.604 ( -7.179 0.000 -5.265) 8.902 33.074 ( -0.787 0.000 3.547) 3.633 33.698 ( 1.908 -0.000 -12.246) 12.394 33.724 ( 6.792 -0.000 9.145) 11.392 33.968 ( 10.215 -0.000 1.290) 10.296 ======================= Grid point 300 (104/144) ======================= q-point: (-0.55 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -24.573 -0.629 5.572) 25.205 2.320 ( -12.501 3.909 -4.905) 13.986 2.482 ( 2.358 1.392 23.546) 23.705 2.588 ( -5.701 7.359 6.652) 11.442 2.663 ( 1.612 0.674 4.955) 5.254 2.853 ( -4.844 -13.598 5.077) 15.302 3.444 ( -8.788 8.636 4.391) 13.080 3.502 ( -11.834 1.824 2.784) 12.293 3.585 ( -12.829 0.328 3.638) 13.339 3.763 ( 3.096 -10.928 13.185) 17.402 4.199 ( 1.212 6.389 9.826) 11.783 4.300 ( 6.033 0.676 17.649) 18.664 4.375 ( -1.485 2.454 0.276) 2.882 4.749 ( 7.357 -0.152 -5.653) 9.279 5.099 ( 5.131 -1.385 -0.656) 5.355 5.338 ( 2.714 -1.874 -5.058) 6.039 5.565 ( -1.539 2.019 7.250) 7.682 5.682 ( -7.009 -3.642 0.931) 7.953 5.902 ( -4.075 6.972 -9.642) 12.577 6.307 ( -2.467 -7.631 -18.174) 19.865 6.642 ( -0.382 3.254 -11.719) 12.168 6.722 ( 0.271 -2.627 -9.252) 9.621 7.342 ( 1.149 2.457 4.824) 5.534 7.604 ( 7.582 -2.848 -0.736) 8.133 12.686 ( -2.687 -0.327 6.148) 6.717 13.103 ( 0.740 0.469 -5.400) 5.470 13.429 ( 1.636 0.131 2.253) 2.787 13.600 ( 2.436 0.781 -2.573) 3.628 17.327 ( -2.237 0.034 1.366) 2.621 17.457 ( -0.333 0.290 -2.085) 2.131 17.836 ( 0.160 -0.169 -0.564) 0.611 17.968 ( -0.838 -1.509 -3.510) 3.911 18.291 ( 0.652 0.496 3.716) 3.806 18.470 ( 0.869 -0.142 -0.243) 0.913 28.390 ( 1.652 0.221 0.547) 1.754 28.428 ( 1.605 -0.198 -0.460) 1.682 31.180 ( -9.017 0.439 3.513) 9.687 31.489 ( -6.841 0.162 -5.057) 8.509 33.023 ( -3.446 1.349 5.182) 6.367 33.601 ( 2.527 14.230 -6.806) 15.976 33.953 ( 5.946 -12.601 2.303) 14.122 34.154 ( 10.631 -1.063 0.049) 10.684 ======================= Grid point 301 (105/144) ======================= q-point: (-0.45 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -21.183 2.019 2.887) 21.474 2.054 ( -11.440 4.702 -9.732) 15.738 2.469 ( -1.151 7.388 7.154) 10.349 2.530 ( 4.583 0.852 23.389) 23.849 2.673 ( -1.523 -3.090 9.267) 9.887 2.936 ( -1.302 -7.540 5.565) 9.461 3.279 ( -2.812 5.321 6.545) 8.891 3.305 ( -8.752 -1.432 0.432) 8.879 3.401 ( -10.016 -2.156 2.042) 10.447 3.934 ( 3.692 -7.302 6.499) 10.449 4.066 ( -0.638 12.912 6.758) 14.588 4.343 ( -1.964 -0.648 10.365) 10.570 4.368 ( 3.968 6.078 18.693) 20.053 4.833 ( 4.487 3.265 -4.301) 7.021 5.236 ( 8.126 -3.531 -1.952) 9.073 5.407 ( 3.257 1.095 -0.778) 3.523 5.493 ( -3.320 2.502 4.236) 5.935 5.617 ( -7.048 -2.049 -0.721) 7.375 5.774 ( -3.966 -2.207 -6.494) 7.923 6.363 ( -1.287 -8.391 -15.802) 17.938 6.603 ( -0.116 3.712 -13.771) 14.263 6.745 ( -0.364 -2.586 -9.890) 10.229 7.325 ( 0.699 3.824 5.140) 6.444 7.747 ( 4.767 -4.947 -3.853) 7.877 12.657 ( -1.464 -0.584 6.440) 6.630 13.105 ( 0.387 0.996 -5.911) 6.007 13.451 ( 1.075 0.180 1.956) 2.240 13.620 ( 1.481 1.698 -2.988) 3.742 17.297 ( -1.348 -0.060 1.992) 2.406 17.448 ( -0.168 0.629 -2.095) 2.194 17.841 ( 0.048 -0.523 -0.190) 0.559 17.980 ( -0.427 -2.819 -3.602) 4.594 18.291 ( 0.245 0.807 3.632) 3.729 18.481 ( 0.320 -0.177 -0.442) 0.574 28.412 ( 1.186 0.273 0.601) 1.358 28.452 ( 1.024 -0.123 -0.509) 1.151 31.050 ( -5.563 1.168 4.311) 7.134 31.387 ( -4.590 1.145 -4.900) 6.812 32.958 ( -2.145 2.029 5.765) 6.477 33.496 ( 2.046 14.219 -6.834) 15.908 34.147 ( 3.336 -10.461 1.635) 11.101 34.312 ( 6.166 -2.741 -0.513) 6.767 ======================= Grid point 302 (106/144) ======================= q-point: (-0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -0.000 4.539 3.596) 5.791 1.906 ( -0.000 5.517 -10.879) 12.198 2.371 ( -0.000 9.664 5.884) 11.315 2.612 ( 0.000 -3.635 32.053) 32.259 2.677 ( 0.000 -2.717 1.731) 3.221 2.896 ( -0.000 9.724 13.704) 16.804 3.246 ( 0.000 -2.612 3.500) 4.367 3.271 ( 0.000 -4.712 0.354) 4.726 3.363 ( 0.000 -6.023 -2.001) 6.346 3.877 ( -0.000 12.082 -6.230) 13.594 4.103 ( 0.000 -9.097 14.021) 16.714 4.297 ( -0.000 12.436 20.237) 23.752 4.330 ( 0.000 -1.029 11.629) 11.675 4.827 ( -0.000 4.709 -3.885) 6.105 5.275 ( -0.000 16.693 6.489) 17.910 5.426 ( -0.000 1.690 -2.835) 3.300 5.464 ( 0.000 -10.074 0.490) 10.086 5.557 ( 0.000 -1.964 -3.539) 4.047 5.848 ( 0.000 -14.068 -4.726) 14.840 6.426 ( 0.000 -6.062 -12.751) 14.118 6.564 ( -0.000 3.626 -15.566) 15.982 6.773 ( 0.000 -3.935 -9.922) 10.674 7.286 ( -0.000 4.906 5.834) 7.623 7.842 ( 0.000 -5.362 -6.293) 8.268 12.651 ( 0.000 -0.810 6.275) 6.328 13.095 ( -0.000 1.498 -5.924) 6.111 13.458 ( -0.000 0.273 1.519) 1.543 13.612 ( -0.000 2.211 -3.007) 3.733 17.287 ( 0.000 -0.167 2.204) 2.210 17.439 ( -0.000 0.882 -1.983) 2.170 17.849 ( 0.000 -1.085 0.770) 1.330 18.010 ( 0.000 -3.592 -3.500) 5.015 18.284 ( -0.000 1.000 3.459) 3.600 18.485 ( 0.000 -0.029 -0.771) 0.771 28.419 ( -0.000 0.221 0.626) 0.663 28.461 ( -0.000 0.150 -0.532) 0.552 30.988 ( -0.000 1.833 4.538) 4.895 31.330 ( -0.000 2.090 -4.840) 5.272 32.916 ( -0.000 2.708 5.451) 6.087 33.368 ( -0.000 14.763 -5.378) 15.712 34.271 ( 0.000 -8.588 1.561) 8.729 34.403 ( 0.000 -5.187 -1.608) 5.431 ======================= Grid point 311 (107/144) ======================= q-point: ( 0.45 -0.55 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -19.570 0.000 2.749) 19.763 2.106 ( -12.947 0.000 -10.793) 16.856 2.536 ( 3.407 -0.000 24.142) 24.382 2.569 ( -1.883 0.000 5.209) 5.539 2.653 ( -3.712 0.000 11.547) 12.129 2.785 ( 3.880 -0.000 2.499) 4.615 3.296 ( -8.829 0.000 -0.814) 8.866 3.308 ( -9.918 0.000 0.164) 9.919 3.452 ( -6.947 0.000 8.410) 10.909 3.816 ( 6.363 -0.000 16.693) 17.864 4.293 ( 2.541 -0.000 17.854) 18.034 4.333 ( -2.543 0.000 4.666) 5.314 4.385 ( 3.544 -0.000 8.174) 8.909 4.864 ( 5.722 -0.000 -5.567) 7.983 5.182 ( 5.682 -0.000 0.976) 5.765 5.362 ( 2.383 -0.000 -2.418) 3.395 5.529 ( -4.045 0.000 -0.391) 4.063 5.551 ( -5.855 0.000 -1.466) 6.036 5.899 ( -2.677 0.000 1.745) 3.195 6.220 ( -1.768 0.000 -20.122) 20.200 6.645 ( -0.767 0.000 -14.508) 14.529 6.718 ( 0.405 -0.000 -8.798) 8.807 7.368 ( 0.581 -0.000 4.466) 4.503 7.687 ( 4.376 -0.000 -2.706) 5.145 12.651 ( -1.418 0.000 6.704) 6.852 13.115 ( 0.429 -0.000 -6.106) 6.121 13.452 ( 1.035 -0.000 2.275) 2.499 13.639 ( 1.636 -0.000 -3.137) 3.538 17.296 ( -1.420 0.000 2.145) 2.573 17.454 ( -0.161 0.000 -2.176) 2.182 17.837 ( 0.076 -0.000 -1.231) 1.234 17.948 ( -0.531 0.000 -3.611) 3.650 18.300 ( 0.184 -0.000 3.729) 3.733 18.479 ( 0.304 -0.000 -0.140) 0.334 28.415 ( 1.155 -0.000 0.495) 1.256 28.450 ( 1.070 -0.000 -0.421) 1.150 31.062 ( -5.394 0.000 4.304) 6.901 31.399 ( -4.166 0.000 -4.949) 6.468 32.979 ( -2.390 0.000 6.451) 6.879 33.693 ( -0.203 0.000 -14.172) 14.173 33.988 ( 5.681 -0.000 7.746) 9.606 34.287 ( 6.019 -0.000 -0.071) 6.020 ======================= Grid point 313 (108/144) ======================= q-point: (-0.45 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -0.000 1.722 2.047) 2.675 1.983 ( -0.000 1.931 -12.182) 12.335 2.524 ( -0.000 5.125 5.253) 7.339 2.574 ( -0.000 0.590 29.110) 29.116 2.627 ( 0.000 -2.397 5.016) 5.559 2.860 ( 0.000 -6.984 4.080) 8.089 3.214 ( 0.000 -0.432 -0.254) 0.501 3.256 ( 0.000 -4.076 -1.034) 4.205 3.350 ( -0.000 7.581 11.871) 14.085 3.903 ( 0.000 -5.735 11.331) 12.699 4.215 ( -0.000 14.577 7.803) 16.535 4.313 ( 0.000 -0.506 13.759) 13.769 4.439 ( 0.000 -0.386 12.179) 12.185 4.901 ( -0.000 2.099 -4.394) 4.869 5.262 ( 0.000 -4.633 0.624) 4.674 5.433 ( 0.000 -6.466 2.431) 6.908 5.464 ( -0.000 2.034 -4.309) 4.765 5.512 ( 0.000 -2.277 -4.402) 4.956 5.800 ( -0.000 11.289 2.617) 11.588 6.262 ( 0.000 -8.813 -17.746) 19.814 6.630 ( -0.000 1.793 -14.959) 15.066 6.726 ( 0.000 -0.949 -9.366) 9.413 7.361 ( -0.000 2.257 4.552) 5.081 7.741 ( 0.000 -3.425 -3.830) 5.138 12.640 ( 0.000 -0.270 6.818) 6.823 13.116 ( -0.000 0.529 -6.280) 6.303 13.461 ( -0.000 0.071 2.164) 2.165 13.648 ( -0.000 1.014 -3.331) 3.482 17.284 ( 0.000 -0.067 2.424) 2.425 17.451 ( -0.000 0.326 -2.179) 2.203 17.838 ( 0.000 -0.118 -1.086) 1.093 17.953 ( 0.000 -1.677 -3.675) 4.040 18.299 ( -0.000 0.410 3.702) 3.725 18.482 ( 0.000 -0.160 -0.213) 0.266 28.424 ( -0.000 0.182 0.521) 0.552 28.460 ( 0.000 -0.131 -0.437) 0.457 31.014 ( -0.000 0.680 4.599) 4.649 31.360 ( -0.000 0.787 -4.888) 4.951 32.954 ( -0.000 0.934 6.616) 6.682 33.635 ( -0.000 9.902 -11.613) 15.262 34.082 ( 0.000 -8.050 4.820) 9.383 34.343 ( 0.000 -1.288 -0.129) 1.295 ======================= Grid point 375 (109/144) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.000 0.000 8.821) 8.821 1.272 ( 0.000 0.000 -14.050) 14.050 1.877 ( 0.000 0.000 28.815) 28.815 1.934 ( 0.000 0.000 28.598) 28.598 2.441 ( 0.000 0.000 -25.813) 25.813 2.481 ( 0.000 0.000 -23.812) 23.812 3.247 ( 0.000 0.000 40.113) 40.113 3.612 ( 0.000 0.000 0.702) 0.702 3.638 ( 0.000 0.000 -2.071) 2.071 3.875 ( 0.000 0.000 -11.474) 11.474 4.376 ( 0.000 0.000 9.431) 9.431 4.536 ( 0.000 0.000 12.055) 12.055 4.574 ( 0.000 0.000 -9.247) 9.247 4.747 ( 0.000 0.000 2.309) 2.309 5.402 ( 0.000 0.000 15.605) 15.605 5.519 ( 0.000 0.000 5.611) 5.611 5.530 ( 0.000 0.000 6.235) 6.235 5.592 ( 0.000 0.000 -1.671) 1.671 6.099 ( 0.000 0.000 -12.232) 12.232 6.156 ( 0.000 0.000 -21.766) 21.766 6.602 ( 0.000 0.000 2.420) 2.420 6.713 ( 0.000 0.000 -6.238) 6.238 7.385 ( 0.000 0.000 8.246) 8.246 7.597 ( 0.000 0.000 -12.846) 12.846 12.808 ( 0.000 0.000 3.076) 3.076 12.876 ( 0.000 0.000 -3.360) 3.360 13.501 ( 0.000 0.000 3.245) 3.245 13.566 ( 0.000 0.000 -2.913) 2.913 17.322 ( 0.000 0.000 1.196) 1.196 17.346 ( 0.000 0.000 -1.132) 1.132 18.131 ( 0.000 0.000 0.791) 0.791 18.145 ( 0.000 0.000 -0.678) 0.678 18.232 ( 0.000 0.000 1.289) 1.289 18.256 ( 0.000 0.000 -0.854) 0.854 28.371 ( 0.000 0.000 0.372) 0.372 28.378 ( 0.000 0.000 -0.238) 0.238 30.946 ( 0.000 0.000 5.521) 5.521 31.063 ( 0.000 0.000 -5.702) 5.702 32.525 ( 0.000 0.000 0.952) 0.952 32.557 ( 0.000 0.000 -2.102) 2.102 34.816 ( 0.000 0.000 7.170) 7.170 34.955 ( 0.000 0.000 -6.076) 6.076 ======================= Grid point 376 (110/144) ======================= q-point: ( 0.09 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 19.120 -0.761 6.127) 20.092 1.409 ( 14.681 -2.123 -11.578) 18.817 1.929 ( 3.427 -3.715 25.838) 26.328 1.987 ( 4.235 -6.565 25.992) 27.140 2.466 ( 0.547 -0.352 -23.377) 23.386 2.512 ( 3.922 -4.555 -22.793) 23.572 3.353 ( 7.006 -5.677 31.976) 33.224 3.611 ( -0.866 0.382 -2.003) 2.216 3.694 ( 10.498 0.562 5.221) 11.738 4.013 ( 12.037 -0.232 -3.991) 12.683 4.281 ( -6.552 0.088 8.556) 10.777 4.533 ( -2.994 0.660 -9.718) 10.191 4.608 ( 6.838 3.890 4.707) 9.167 4.713 ( -0.274 6.384 3.549) 7.309 5.353 ( -1.443 6.137 14.140) 15.482 5.443 ( -4.685 1.211 3.855) 6.187 5.583 ( 1.540 1.938 2.418) 3.460 5.622 ( 4.723 -1.096 4.364) 6.523 6.128 ( 4.054 2.173 -11.724) 12.594 6.174 ( 1.941 -1.378 -19.913) 20.055 6.640 ( -1.059 -8.515 2.795) 9.024 6.747 ( -2.540 -9.725 -5.756) 11.582 7.303 ( -5.564 6.560 7.556) 11.449 7.512 ( -7.535 3.420 -13.293) 15.658 12.830 ( 2.591 0.269 3.325) 4.223 12.902 ( 2.615 -0.322 -3.548) 4.419 13.492 ( -0.514 0.908 3.251) 3.415 13.556 ( -0.638 0.736 -2.901) 3.061 17.318 ( -0.436 -0.120 1.272) 1.350 17.345 ( -0.271 -0.246 -1.264) 1.316 18.092 ( -2.862 1.607 2.159) 3.928 18.131 ( -2.892 -1.659 -1.558) 3.680 18.229 ( -0.557 -0.391 1.545) 1.688 18.259 ( -0.411 -1.203 -1.189) 1.740 28.372 ( -0.304 -0.593 0.339) 0.748 28.378 ( -0.318 -0.593 -0.233) 0.712 31.027 ( 9.161 -0.516 6.385) 11.179 31.170 ( 11.995 -0.241 -7.506) 14.151 32.530 ( -1.303 -3.060 1.049) 3.487 32.564 ( -0.977 -3.076 -2.283) 3.954 34.750 ( -6.052 2.886 6.449) 9.303 34.864 ( -8.236 3.308 -4.271) 9.850 ======================= Grid point 377 (111/144) ======================= q-point: ( 0.18 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 19.165 2.117 9.732) 21.598 1.732 ( 19.514 -3.109 -8.894) 21.670 2.090 ( 10.355 -5.406 15.412) 19.339 2.209 ( 11.017 -12.322 15.451) 22.626 2.518 ( 3.913 -5.110 -14.607) 15.962 2.671 ( 7.094 -7.519 -17.866) 20.641 3.510 ( 4.432 -6.262 14.883) 16.744 3.625 ( 1.702 -1.852 -1.382) 2.871 3.882 ( 9.864 5.526 14.983) 18.771 4.106 ( 6.063 2.837 19.034) 20.177 4.282 ( 4.585 2.334 -3.866) 6.436 4.527 ( -2.224 -1.296 -0.687) 2.664 4.598 ( 5.533 6.632 -5.732) 10.366 4.670 ( 2.818 5.502 -5.017) 7.961 5.254 ( -2.483 6.325 11.842) 13.653 5.343 ( -4.671 3.410 2.364) 6.248 5.565 ( -1.002 2.231 3.023) 3.889 5.714 ( 4.966 0.192 1.844) 5.301 6.166 ( 3.675 1.838 -9.477) 10.330 6.248 ( 5.774 0.967 -13.710) 14.908 6.715 ( -4.404 -12.967 2.168) 13.865 6.787 ( -7.926 -11.853 -3.703) 14.732 7.105 ( -6.058 10.758 7.367) 14.378 7.339 ( -8.011 2.319 -15.598) 17.688 12.876 ( 3.527 0.811 3.607) 5.109 12.951 ( 2.812 0.000 -3.427) 4.432 13.469 ( -0.907 1.304 3.218) 3.588 13.532 ( -1.101 1.152 -2.847) 3.263 17.318 ( 0.311 -0.415 1.194) 1.302 17.347 ( 0.181 -0.563 -1.483) 1.596 18.030 ( -3.388 0.065 3.694) 5.013 18.096 ( -2.988 -1.327 -2.644) 4.204 18.224 ( -0.718 -0.671 2.130) 2.346 18.267 ( -0.547 -1.967 -1.975) 2.841 28.372 ( -0.561 -0.613 0.378) 0.913 28.379 ( -0.554 -0.782 -0.273) 0.996 31.224 ( 13.797 -0.176 7.839) 15.870 31.405 ( 16.029 1.083 -9.730) 18.782 32.546 ( -1.891 -5.091 1.278) 5.579 32.589 ( -1.165 -5.433 -2.992) 6.311 34.578 ( -9.903 4.615 5.669) 12.309 34.662 ( -10.957 3.804 -2.082) 11.784 ======================= Grid point 378 (112/144) ======================= q-point: ( 0.27 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 13.068 0.350 13.137) 18.533 2.038 ( 14.300 -1.342 -9.996) 17.499 2.354 ( 14.908 -5.998 11.326) 19.660 2.527 ( 14.245 -6.139 -4.123) 16.050 2.725 ( 9.205 -13.558 0.939) 16.415 2.870 ( 6.906 -8.485 -8.811) 14.047 3.631 ( 1.301 -7.288 8.836) 11.528 3.714 ( 4.496 -6.779 -1.842) 8.340 3.854 ( 3.013 10.444 17.014) 20.189 4.150 ( 2.706 9.806 -3.163) 10.653 4.347 ( -6.371 7.037 15.958) 18.567 4.441 ( 13.773 1.898 14.689) 20.225 4.636 ( -1.339 2.111 -12.876) 13.117 4.780 ( 11.791 0.092 -9.517) 15.153 5.151 ( -4.087 3.753 7.564) 9.381 5.228 ( -4.042 4.961 2.631) 6.919 5.512 ( -2.513 1.778 2.579) 4.016 5.754 ( 1.235 2.295 -6.245) 6.767 6.216 ( 5.048 2.957 -1.589) 6.062 6.305 ( 2.790 2.875 -8.140) 9.072 6.679 ( -14.636 -5.811 -1.604) 15.828 6.716 ( -8.989 -7.851 -4.401) 12.721 6.995 ( 1.958 2.438 9.094) 9.617 7.252 ( -2.955 -2.211 -15.472) 15.906 12.918 ( 2.895 1.399 3.494) 4.748 12.985 ( 1.589 0.388 -2.757) 3.205 13.440 ( -1.012 1.104 3.095) 3.438 13.501 ( -1.216 1.085 -2.730) 3.180 17.339 ( 1.576 -0.652 0.810) 1.888 17.365 ( 1.168 -0.880 -1.558) 2.137 17.986 ( -2.439 -0.601 4.215) 4.906 18.065 ( -2.222 -0.887 -3.292) 4.069 18.223 ( -0.463 -1.060 2.887) 3.110 18.282 ( -0.339 -2.356 -2.789) 3.667 28.367 ( -0.623 -0.306 0.506) 0.859 28.376 ( -0.669 -0.622 -0.372) 0.986 31.446 ( 13.179 0.648 8.275) 15.575 31.629 ( 13.130 2.310 -9.256) 16.230 32.569 ( -1.800 -5.320 1.916) 5.934 32.639 ( -0.105 -6.206 -4.918) 7.920 34.362 ( -10.311 4.383 6.642) 13.024 34.461 ( -9.306 2.761 -2.656) 10.064 ======================= Grid point 379 (113/144) ======================= q-point: ( 0.36 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 7.259 -0.572 12.262) 14.261 2.210 ( 6.870 0.765 -11.793) 13.669 2.668 ( 14.851 -5.884 8.539) 18.113 2.790 ( 12.233 -3.415 -3.815) 13.261 2.984 ( 5.412 -9.793 5.468) 12.453 3.087 ( 8.306 -12.217 -2.601) 15.000 3.662 ( -1.758 0.565 15.086) 15.199 3.850 ( 4.199 2.767 11.043) 12.134 3.882 ( 4.354 -3.653 -3.258) 6.551 4.080 ( 0.782 4.958 -4.471) 6.722 4.175 ( -1.978 5.084 11.331) 12.576 4.513 ( 0.596 6.575 -8.966) 11.135 4.724 ( 8.355 -4.088 8.005) 12.272 4.881 ( 4.246 7.418 -0.324) 8.554 5.028 ( -6.227 3.683 3.623) 8.091 5.122 ( -3.637 3.595 3.018) 5.938 5.478 ( -0.054 -0.338 -0.135) 0.368 5.717 ( -1.793 2.865 -10.233) 10.776 6.238 ( 0.550 3.938 3.278) 5.153 6.277 ( -0.874 2.969 -4.636) 5.575 6.538 ( -7.363 -4.739 -2.312) 9.056 6.657 ( -4.569 -3.687 -9.348) 11.039 7.042 ( 2.235 -2.101 8.371) 8.916 7.250 ( -1.261 -2.729 -11.463) 11.850 12.941 ( 1.714 1.415 3.150) 3.855 12.997 ( 0.524 0.409 -2.130) 2.231 13.416 ( -0.773 0.636 2.934) 3.100 13.474 ( -0.938 0.694 -2.571) 2.823 17.375 ( 1.766 -0.559 0.653) 1.965 17.399 ( 1.618 -0.859 -1.669) 2.478 17.960 ( -1.467 -0.434 4.193) 4.463 18.042 ( -1.368 -0.370 -3.597) 3.866 18.230 ( -0.125 -1.119 3.555) 3.729 18.301 ( -0.108 -1.955 -3.282) 3.822 28.359 ( -0.479 -0.053 0.606) 0.774 28.370 ( -0.567 -0.349 -0.471) 0.815 31.620 ( 9.068 1.017 7.534) 11.834 31.775 ( 7.600 1.988 -7.031) 10.543 32.593 ( -1.218 -3.936 3.035) 5.117 32.704 ( 0.992 -4.711 -7.985) 9.324 34.177 ( -7.532 2.903 8.644) 11.827 34.314 ( -5.998 1.532 -4.371) 7.578 ======================= Grid point 380 (114/144) ======================= q-point: ( 0.45 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 2.305 -0.212 10.668) 10.916 2.266 ( 1.759 0.759 -11.564) 11.722 2.879 ( 4.570 -2.374 5.544) 7.566 2.973 ( 5.833 -1.343 -3.373) 6.870 3.137 ( 4.680 -5.944 14.971) 16.774 3.339 ( 6.119 -8.565 0.795) 10.556 3.581 ( -4.395 3.155 11.721) 12.909 3.810 ( -0.661 6.001 3.014) 6.747 3.863 ( -1.894 3.862 6.950) 8.173 4.131 ( 2.627 -1.968 -4.479) 5.553 4.234 ( 4.264 -4.450 5.029) 7.955 4.488 ( 0.624 -0.890 -10.870) 10.925 4.784 ( -2.954 6.705 3.075) 7.946 4.816 ( 0.250 2.756 -0.453) 2.804 4.954 ( 3.446 2.343 6.316) 7.567 5.031 ( -5.370 -0.079 4.786) 7.193 5.507 ( 1.786 -0.692 -0.308) 1.940 5.664 ( -1.604 1.049 -7.938) 8.166 6.189 ( -1.804 0.232 0.992) 2.072 6.243 ( -0.137 2.203 -5.003) 5.469 6.519 ( -1.126 -2.328 -1.744) 3.120 6.639 ( -0.966 -0.902 -9.466) 9.558 7.085 ( 0.830 -1.010 7.476) 7.589 7.255 ( -0.529 -0.991 -8.580) 8.653 12.948 ( 0.554 0.601 2.890) 3.003 12.998 ( 0.078 0.160 -1.828) 1.837 13.403 ( -0.287 0.195 2.823) 2.845 13.458 ( -0.352 0.229 -2.448) 2.483 17.400 ( 0.747 -0.224 0.758) 1.088 17.426 ( 0.758 -0.347 -1.824) 2.005 17.947 ( -0.505 -0.129 4.089) 4.122 18.029 ( -0.469 -0.078 -3.732) 3.762 18.238 ( 0.004 -0.487 3.904) 3.934 18.315 ( -0.015 -0.754 -3.438) 3.520 28.354 ( -0.179 0.013 0.646) 0.671 28.366 ( -0.225 -0.106 -0.525) 0.581 31.713 ( 3.223 0.495 6.610) 7.371 31.840 ( 2.337 0.707 -5.239) 5.780 32.607 ( -0.416 -1.442 3.929) 4.206 32.753 ( 0.640 -1.715 -10.475) 10.634 34.071 ( -2.781 1.013 10.432) 10.844 34.239 ( -2.037 0.464 -5.603) 5.980 ======================= Grid point 387 (115/144) ======================= q-point: ( 0.09 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 25.705 -0.000 2.275) 25.806 1.695 ( 20.105 -0.000 -4.804) 20.671 2.017 ( 9.257 -0.000 24.560) 26.246 2.043 ( 9.207 -0.000 18.735) 20.875 2.488 ( 2.458 -0.000 -17.845) 18.013 2.576 ( 7.381 -0.000 -24.068) 25.175 3.445 ( 5.901 -0.000 17.133) 18.121 3.601 ( -0.337 0.000 -2.823) 2.843 3.948 ( 19.510 -0.000 15.533) 24.938 4.110 ( -3.596 0.000 20.271) 20.587 4.349 ( 16.520 -0.000 -10.883) 19.783 4.455 ( -5.622 0.000 -10.177) 11.626 4.709 ( -3.153 0.000 8.439) 9.008 4.721 ( 3.247 -0.000 0.813) 3.347 5.378 ( -3.929 0.000 2.327) 4.567 5.379 ( -0.633 0.000 5.057) 5.096 5.598 ( -0.882 0.000 3.306) 3.421 5.704 ( 5.627 -0.000 7.557) 9.422 6.178 ( 1.563 -0.000 -15.221) 15.301 6.253 ( 7.139 -0.000 -8.094) 10.793 6.565 ( -3.027 0.000 -2.696) 4.053 6.621 ( -6.759 0.000 -4.793) 8.286 7.232 ( -6.510 0.000 3.718) 7.497 7.366 ( -11.055 0.000 -10.170) 15.021 12.885 ( 3.788 -0.000 3.138) 4.919 12.951 ( 3.133 -0.000 -3.032) 4.360 13.485 ( -0.935 0.000 3.040) 3.181 13.545 ( -1.162 0.000 -2.729) 2.966 17.313 ( 0.198 -0.000 1.152) 1.168 17.341 ( 0.109 -0.000 -1.365) 1.369 18.029 ( -5.041 0.000 2.329) 5.553 18.069 ( -3.036 0.000 -1.463) 3.370 18.220 ( -0.403 0.000 1.701) 1.749 18.250 ( -0.057 0.000 -1.071) 1.072 28.365 ( -0.277 0.000 0.313) 0.417 28.370 ( -0.366 0.000 -0.173) 0.405 31.222 ( 14.343 -0.000 8.216) 16.530 31.418 ( 16.987 -0.000 -10.940) 20.205 32.494 ( -0.831 0.000 1.058) 1.345 32.531 ( -0.982 0.000 -2.521) 2.705 34.629 ( -10.291 0.000 5.177) 11.520 34.701 ( -12.916 0.000 -1.218) 12.973 ======================= Grid point 388 (116/144) ======================= q-point: ( 0.18 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 15.669 8.880 11.701) 21.477 2.025 ( 18.408 -1.326 -1.611) 18.525 2.250 ( 13.605 -3.470 13.737) 19.643 2.318 ( 18.362 -10.797 5.700) 22.050 2.579 ( 8.417 -1.987 -10.198) 13.372 2.732 ( 8.363 -4.100 -18.581) 20.785 3.524 ( 2.461 -2.782 7.406) 8.285 3.604 ( -0.498 -3.112 -2.492) 4.018 4.029 ( 0.138 5.759 20.013) 20.826 4.277 ( 7.238 0.960 7.648) 10.574 4.351 ( 4.169 -0.973 10.931) 11.739 4.549 ( 3.041 6.759 4.556) 8.700 4.691 ( 0.281 -1.325 -0.448) 1.427 4.756 ( 7.902 -0.209 -11.907) 14.292 5.288 ( -2.794 6.530 2.071) 7.398 5.337 ( -1.863 4.726 -0.466) 5.101 5.558 ( -2.391 2.202 5.981) 6.807 5.780 ( 2.905 0.058 -0.378) 2.930 6.222 ( 2.983 -2.034 -4.657) 5.893 6.328 ( 0.031 -0.527 0.843) 0.995 6.502 ( -10.521 -5.323 -4.804) 12.732 6.543 ( -5.363 -6.762 -12.486) 15.178 7.117 ( -2.606 6.027 2.404) 6.993 7.228 ( -5.323 -1.473 -8.959) 10.525 12.941 ( 3.229 0.669 2.658) 4.236 12.990 ( 1.663 0.128 -1.905) 2.532 13.463 ( -1.169 0.823 2.912) 3.244 13.521 ( -1.412 0.626 -2.593) 3.018 17.330 ( 1.656 -0.254 0.643) 1.794 17.352 ( 1.073 -0.358 -1.288) 1.714 17.963 ( -3.574 -0.999 3.518) 5.113 18.030 ( -2.716 -1.549 -2.900) 4.264 18.217 ( 0.061 0.086 2.181) 2.184 18.255 ( 0.450 -0.456 -1.496) 1.628 28.362 ( -0.266 -0.142 0.264) 0.401 28.366 ( -0.400 -0.310 -0.111) 0.519 31.455 ( 13.482 0.206 8.999) 16.211 31.664 ( 12.722 0.935 -11.303) 17.043 32.510 ( 2.144 -0.710 0.410) 2.295 32.545 ( 1.565 -2.932 -3.019) 4.490 34.433 ( -11.873 2.349 4.798) 13.020 34.487 ( -12.417 0.052 0.007) 12.417 ======================= Grid point 389 (117/144) ======================= q-point: ( 0.27 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 11.331 7.032 13.458) 18.946 2.253 ( 10.467 2.542 -6.759) 12.716 2.538 ( 14.713 -5.926 10.081) 18.794 2.683 ( 12.785 -8.115 -4.013) 15.666 2.804 ( 12.683 -5.453 0.180) 13.806 2.904 ( 7.737 -5.345 -7.296) 11.902 3.592 ( 1.941 -4.494 6.682) 8.283 3.696 ( 4.594 -9.015 -4.107) 10.920 3.988 ( 1.783 5.688 17.221) 18.223 4.122 ( -12.085 1.484 7.150) 14.120 4.417 ( -0.498 12.557 4.964) 13.512 4.604 ( -0.397 0.749 -7.395) 7.443 4.684 ( 11.635 0.918 13.582) 17.907 4.932 ( 6.119 -1.868 -0.966) 6.470 5.155 ( -3.857 9.034 1.504) 9.937 5.235 ( -3.707 6.177 -5.754) 9.220 5.501 ( -0.568 2.343 5.455) 5.964 5.781 ( -0.889 2.777 -9.788) 10.213 6.232 ( -10.665 -3.660 7.374) 13.473 6.324 ( 2.844 -4.806 0.511) 5.608 6.366 ( -11.068 -4.494 -7.429) 14.067 6.563 ( -0.021 -4.240 -14.350) 14.964 7.072 ( 3.244 4.008 4.605) 6.913 7.210 ( 0.128 -1.633 -8.669) 8.822 12.970 ( 1.545 1.348 2.114) 2.945 13.003 ( 0.312 0.133 -0.940) 1.000 13.435 ( -0.985 1.024 2.843) 3.179 13.491 ( -1.202 0.828 -2.502) 2.897 17.366 ( 2.149 -0.268 0.254) 2.181 17.382 ( 1.801 -0.722 -1.230) 2.298 17.932 ( -2.237 -1.813 3.890) 4.839 18.011 ( -2.063 -2.113 -3.623) 4.674 18.222 ( 0.832 0.165 2.841) 2.964 18.275 ( 1.173 -0.674 -2.163) 2.551 28.358 ( -0.313 -0.052 0.320) 0.451 28.363 ( -0.332 -0.340 -0.157) 0.501 31.630 ( 7.928 0.068 7.755) 11.090 31.795 ( 4.561 0.216 -8.095) 9.294 32.566 ( 4.682 0.693 1.667) 5.018 32.646 ( 7.213 -1.524 -6.259) 9.671 34.224 ( -10.467 1.964 6.563) 12.510 34.313 ( -9.630 -1.279 -1.793) 9.879 ======================= Grid point 390 (118/144) ======================= q-point: ( 0.36 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 7.683 7.179 11.062) 15.262 2.330 ( 4.109 4.571 -9.053) 10.942 2.777 ( 5.618 -6.272 6.606) 10.702 2.889 ( 2.435 -7.116 -3.555) 8.319 3.021 ( 11.914 -3.147 8.344) 14.882 3.162 ( 14.161 -7.064 -3.267) 16.158 3.648 ( -0.975 1.219 13.387) 13.478 3.848 ( -2.340 -5.506 5.042) 7.824 3.931 ( -1.089 0.816 3.811) 4.046 4.000 ( -2.542 -5.049 3.759) 6.788 4.278 ( -0.187 8.553 2.396) 8.884 4.515 ( -2.953 4.968 -11.616) 12.975 4.860 ( 5.637 0.148 16.603) 17.534 4.971 ( -6.996 3.249 3.372) 8.418 4.973 ( -0.243 6.048 5.473) 8.161 5.094 ( -5.365 6.048 -10.617) 13.345 5.513 ( 3.442 1.143 1.234) 3.832 5.715 ( -2.161 3.578 -9.478) 10.359 6.111 ( -8.612 -6.201 3.962) 11.327 6.259 ( -7.282 -3.853 -10.838) 13.614 6.426 ( 3.524 -3.664 3.181) 5.997 6.606 ( 0.903 -2.501 -10.891) 11.210 7.109 ( 4.672 2.914 5.353) 7.680 7.240 ( 1.865 -0.503 -7.054) 7.313 12.965 ( -0.512 0.960 2.444) 2.675 13.004 ( 0.054 0.326 -1.254) 1.297 13.414 ( -0.403 0.787 2.777) 2.914 13.469 ( -0.554 0.675 -2.422) 2.575 17.396 ( 1.222 -0.134 0.504) 1.328 17.416 ( 1.353 -0.553 -1.559) 2.137 17.922 ( -1.366 -1.931 3.900) 4.561 18.004 ( -1.468 -2.087 -3.837) 4.608 18.239 ( 1.485 0.451 3.474) 3.805 18.304 ( 1.701 -0.302 -2.759) 3.255 28.354 ( -0.204 -0.017 0.484) 0.525 28.362 ( -0.075 -0.229 -0.339) 0.416 31.706 ( 0.981 -0.932 5.970) 6.122 31.825 ( -1.244 -1.694 -5.420) 5.813 32.640 ( 6.955 3.843 3.721) 8.774 32.775 ( 8.907 3.161 -9.438) 13.357 34.073 ( -6.722 -0.444 8.836) 11.111 34.208 ( -5.996 -3.135 -4.001) 7.860 ======================= Grid point 391 (119/144) ======================= q-point: ( 0.45 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 3.644 8.314 8.824) 12.659 2.313 ( 0.363 5.015 -8.822) 10.154 2.855 ( -2.800 -4.522 4.826) 7.181 2.934 ( -4.445 -5.621 -2.183) 7.491 3.199 ( 3.576 1.651 15.648) 16.136 3.406 ( 5.907 -2.439 0.749) 6.435 3.564 ( 1.363 2.200 13.280) 13.530 3.803 ( -4.171 -2.399 14.067) 14.867 3.844 ( -5.071 7.395 -11.793) 14.815 4.033 ( -5.282 -8.436 -2.903) 10.368 4.309 ( 4.725 0.834 4.218) 6.389 4.460 ( -2.596 -3.313 -5.689) 7.076 4.750 ( -8.117 5.041 3.467) 10.164 4.850 ( -0.340 3.374 6.308) 7.162 4.940 ( -4.894 1.718 2.833) 5.910 5.037 ( 3.775 0.661 -1.742) 4.210 5.540 ( 0.904 2.272 0.389) 2.476 5.674 ( 0.980 1.776 -5.524) 5.884 6.085 ( -3.955 -7.540 0.801) 8.552 6.207 ( -3.963 -3.604 -11.750) 12.913 6.503 ( 2.302 -2.221 2.296) 3.937 6.642 ( 1.396 -1.116 -9.002) 9.178 7.144 ( 3.848 4.212 5.950) 8.243 7.278 ( 3.094 1.088 -6.552) 7.327 12.942 ( -1.560 -0.011 3.229) 3.586 12.999 ( -0.249 0.249 -2.196) 2.224 13.407 ( 0.299 0.498 2.740) 2.800 13.461 ( 0.245 0.406 -2.391) 2.437 17.405 ( -0.223 0.184 0.763) 0.816 17.430 ( -0.082 0.044 -1.793) 1.796 17.926 ( -0.581 -1.908 3.849) 4.336 18.007 ( -0.779 -2.059 -3.797) 4.389 18.257 ( 1.644 1.190 3.883) 4.382 18.331 ( 1.803 0.731 -3.197) 3.742 28.353 ( 0.149 -0.034 0.671) 0.688 28.366 ( 0.345 -0.100 -0.552) 0.659 31.687 ( -4.881 -1.811 5.531) 7.596 31.798 ( -5.065 -2.966 -4.935) 7.668 32.701 ( 7.315 7.157 4.405) 11.141 32.850 ( 6.754 7.381 -10.080) 14.202 34.027 ( -1.083 -3.177 9.888) 10.442 34.185 ( -1.807 -4.701 -5.210) 7.246 ======================= Grid point 392 (120/144) ======================= q-point: (-0.45 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -0.887 9.461 8.586) 12.807 2.246 ( -2.975 4.478 -8.865) 10.368 2.750 ( -12.512 1.267 5.521) 13.734 2.834 ( -11.275 0.531 -2.345) 11.528 3.128 ( -3.868 3.635 13.762) 14.750 3.332 ( -8.141 8.668 -1.213) 11.954 3.617 ( -1.877 0.628 13.308) 13.454 3.762 ( 4.148 -3.195 8.863) 10.294 3.863 ( 4.226 -3.760 -5.114) 7.626 3.977 ( -10.036 -5.514 -5.415) 12.667 4.253 ( -5.217 6.590 6.690) 10.743 4.401 ( -8.807 -3.983 -1.885) 9.848 4.709 ( -0.620 -6.963 3.641) 7.882 4.829 ( -2.205 5.923 -4.043) 7.502 4.932 ( 6.918 -4.957 9.338) 12.634 5.098 ( 3.349 -0.346 1.926) 3.879 5.512 ( 0.135 2.969 -0.188) 2.978 5.690 ( 1.438 0.280 -6.699) 6.857 6.109 ( -3.461 -7.780 0.415) 8.525 6.201 ( -2.194 -4.907 -11.485) 12.680 6.553 ( 2.041 -1.634 2.073) 3.337 6.683 ( 2.717 -1.004 -8.262) 8.755 7.144 ( 2.952 6.563 7.375) 10.304 7.316 ( 4.275 3.232 -8.807) 10.309 12.917 ( -2.103 -0.871 3.968) 4.575 12.991 ( -0.643 -0.088 -3.082) 3.150 13.413 ( 0.862 0.265 2.755) 2.899 13.467 ( 0.862 0.090 -2.458) 2.606 17.387 ( -1.381 0.581 0.872) 1.733 17.415 ( -1.176 0.689 -1.855) 2.302 17.942 ( 0.186 -1.948 3.906) 4.368 18.021 ( -0.013 -2.147 -3.622) 4.210 18.265 ( 1.467 2.085 4.008) 4.750 18.345 ( 1.614 2.023 -3.546) 4.391 28.360 ( 0.624 0.001 0.800) 1.015 28.375 ( 0.782 0.107 -0.691) 1.049 31.590 ( -9.185 -1.780 6.224) 11.238 31.719 ( -8.745 -3.213 -5.852) 11.002 32.729 ( 6.277 9.034 3.547) 11.558 32.847 ( 3.714 9.272 -7.891) 12.729 34.099 ( 4.659 -4.753 8.663) 10.925 34.243 ( 2.475 -5.492 -4.979) 7.815 ======================= Grid point 393 (121/144) ======================= q-point: (-0.36 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -8.063 10.035 9.447) 15.967 2.100 ( -10.101 4.911 -9.637) 14.799 2.481 ( -13.592 5.907 8.797) 17.234 2.607 ( -13.114 2.635 -3.128) 13.736 3.002 ( -4.805 9.196 2.245) 10.616 3.062 ( -10.643 11.784 -3.007) 16.162 3.612 ( -2.631 -9.996 20.524) 22.980 3.795 ( -5.152 4.680 2.576) 7.422 3.844 ( -7.292 3.065 -2.009) 8.161 3.949 ( 2.800 -5.874 -3.322) 7.306 4.188 ( -0.121 -6.269 10.917) 12.590 4.325 ( -8.050 -7.248 3.090) 11.264 4.702 ( -4.686 4.525 -3.299) 7.302 4.740 ( -3.884 -1.579 -0.418) 4.214 5.124 ( 9.428 -2.803 2.856) 10.242 5.150 ( 3.096 -0.483 10.122) 10.596 5.505 ( 1.593 1.202 -1.582) 2.547 5.707 ( -0.358 -1.596 -6.462) 6.666 6.116 ( -4.632 -6.527 -1.397) 8.124 6.218 ( -3.042 -5.493 -13.381) 14.782 6.635 ( 4.379 -5.783 4.101) 8.333 6.764 ( 5.089 -2.915 -6.568) 8.805 7.107 ( 2.687 9.669 9.090) 13.540 7.346 ( 5.055 5.927 -13.455) 15.547 12.890 ( -2.599 -1.244 4.504) 5.347 12.978 ( -1.273 -0.216 -3.813) 4.026 13.428 ( 1.124 -0.019 2.830) 3.045 13.485 ( 1.122 -0.338 -2.608) 2.859 17.354 ( -1.501 0.793 1.045) 1.993 17.385 ( -1.148 1.024 -1.839) 2.398 17.971 ( 0.849 -1.991 4.109) 4.644 18.049 ( 0.689 -2.198 -3.379) 4.090 18.263 ( 1.331 2.620 3.795) 4.800 18.343 ( 1.426 3.116 -3.739) 5.072 28.372 ( 1.009 0.218 0.787) 1.298 28.388 ( 1.032 0.465 -0.679) 1.320 31.430 ( -12.035 -0.860 6.954) 13.927 31.578 ( -12.156 -2.487 -7.090) 14.290 32.724 ( 4.838 9.515 2.146) 10.888 32.797 ( 2.189 9.348 -4.875) 10.768 34.260 ( 8.167 -5.591 6.672) 11.937 34.372 ( 5.977 -6.030 -3.862) 9.327 ======================= Grid point 394 (122/144) ======================= q-point: (-0.27 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -15.645 7.809 9.494) 19.897 1.816 ( -17.624 5.132 -10.480) 21.137 2.238 ( -7.283 8.435 12.909) 17.054 2.392 ( -8.093 6.067 1.460) 10.219 2.735 ( -8.762 14.386 -3.612) 17.227 2.839 ( -6.783 8.556 -9.655) 14.575 3.630 ( -6.741 -3.503 4.824) 8.999 3.664 ( -6.692 4.759 1.118) 8.287 3.753 ( 2.432 -3.648 20.033) 20.507 4.018 ( -4.045 -2.494 11.855) 12.772 4.214 ( -5.953 -9.465 3.140) 11.614 4.339 ( 1.063 -7.730 2.522) 8.200 4.592 ( -5.565 0.792 -7.801) 9.616 4.648 ( -4.640 3.245 -7.159) 9.127 5.198 ( 3.679 0.254 15.306) 15.744 5.289 ( 7.254 -1.839 3.213) 8.144 5.528 ( 1.060 -0.898 0.165) 1.399 5.693 ( -3.763 -1.556 -1.903) 4.495 6.098 ( -4.497 -4.778 -6.058) 8.931 6.203 ( -4.074 -3.431 -17.591) 18.379 6.812 ( 5.156 -11.703 5.408) 13.885 6.896 ( 5.646 -3.559 -2.636) 7.176 7.041 ( 3.780 12.314 10.854) 16.845 7.366 ( 5.770 6.420 -19.233) 21.082 12.857 ( -2.911 -1.000 4.668) 5.591 12.952 ( -2.012 0.138 -4.353) 4.797 13.448 ( 1.007 -0.463 2.998) 3.196 13.509 ( 1.022 -0.861 -2.792) 3.096 17.329 ( -0.571 0.659 1.358) 1.614 17.363 ( -0.346 0.926 -1.756) 2.015 18.010 ( 1.370 -2.096 4.330) 5.002 18.087 ( 1.221 -2.129 -3.095) 3.950 18.258 ( 1.317 2.540 3.241) 4.323 18.330 ( 1.382 3.696 -3.623) 5.357 28.386 ( 1.084 0.641 0.589) 1.390 28.397 ( 0.957 0.916 -0.519) 1.423 31.230 ( -12.307 0.463 6.964) 14.149 31.383 ( -13.605 -0.880 -7.654) 15.635 32.694 ( 3.260 9.115 1.193) 9.754 32.736 ( 1.832 8.769 -2.836) 9.397 34.461 ( 8.515 -6.483 5.478) 12.023 34.551 ( 7.711 -6.921 -2.996) 10.786 ======================= Grid point 395 (123/144) ======================= q-point: (-0.18 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -14.578 5.194 8.328) 17.574 1.485 ( -14.599 5.009 -11.271) 19.111 2.072 ( -1.819 9.250 19.560) 21.713 2.192 ( -5.339 12.369 18.069) 22.539 2.534 ( -2.222 6.121 -17.026) 18.229 2.645 ( -5.640 8.652 -18.184) 20.912 3.541 ( -1.094 8.569 14.748) 17.092 3.579 ( -2.823 -3.033 1.204) 4.315 3.698 ( -9.630 3.885 15.662) 18.792 3.979 ( -3.087 -5.654 18.700) 19.778 4.264 ( 2.933 -1.649 -5.011) 6.036 4.425 ( -3.003 -12.107 -6.307) 13.978 4.513 ( -5.031 -5.505 -1.117) 7.541 4.586 ( -0.231 1.605 -7.676) 7.846 5.260 ( 2.782 -1.710 20.195) 20.458 5.409 ( 5.919 -1.267 3.543) 7.014 5.545 ( -0.958 -1.627 1.427) 2.367 5.625 ( -5.108 -0.566 0.917) 5.221 6.073 ( -3.597 -3.464 -9.372) 10.620 6.175 ( -2.032 -1.324 -21.370) 21.508 6.893 ( 0.827 12.201 5.565) 13.435 6.945 ( 1.651 0.545 0.755) 1.896 7.106 ( 6.491 -7.124 8.806) 13.055 7.428 ( 5.388 -1.119 -20.718) 21.437 12.821 ( -2.220 -0.500 4.352) 4.911 12.913 ( -1.936 0.761 -4.442) 4.905 13.469 ( 0.567 -0.989 3.233) 3.428 13.533 ( 0.613 -1.237 -2.955) 3.261 17.323 ( 0.242 0.326 1.477) 1.532 17.354 ( 0.184 0.652 -1.513) 1.658 18.056 ( 1.374 -2.371 4.248) 5.056 18.129 ( 1.268 -1.906 -2.789) 3.608 18.254 ( 1.019 2.047 2.478) 3.372 18.313 ( 1.119 3.731 -3.166) 5.019 28.392 ( 0.670 1.096 0.330) 1.326 28.399 ( 0.556 1.231 -0.335) 1.392 31.047 ( -8.315 1.436 6.163) 10.449 31.181 ( -10.159 0.952 -6.779) 12.250 32.646 ( 1.633 7.956 0.911) 8.172 32.678 ( 1.209 7.701 -2.099) 8.073 34.646 ( 5.462 -6.764 5.683) 10.387 34.745 ( 6.242 -7.828 -3.657) 10.660 ======================= Grid point 396 (124/144) ======================= q-point: (-0.09 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -0.000 4.968 8.398) 9.757 1.311 ( -0.000 3.736 -12.676) 13.215 1.997 ( -0.000 5.940 25.789) 26.464 2.001 ( -0.000 11.729 25.267) 27.857 2.500 ( -0.000 1.778 -22.002) 22.073 2.508 ( -0.000 6.614 -23.581) 24.491 3.397 ( -0.000 14.101 37.333) 39.907 3.585 ( 0.000 -2.651 0.744) 2.753 3.612 ( 0.000 -2.555 -2.105) 3.310 3.933 ( -0.000 4.039 -0.442) 4.063 4.393 ( -0.000 1.656 8.996) 9.147 4.405 ( 0.000 -10.681 1.750) 10.824 4.581 ( -0.000 0.687 -8.621) 8.648 4.601 ( 0.000 -13.974 -3.215) 14.339 5.314 ( 0.000 -4.318 21.033) 21.472 5.505 ( 0.000 -1.314 5.595) 5.748 5.516 ( 0.000 -1.183 3.924) 4.099 5.585 ( 0.000 -0.706 -2.220) 2.330 6.069 ( 0.000 -2.397 -10.781) 11.045 6.167 ( 0.000 -0.068 -22.457) 22.457 6.764 ( -0.000 13.343 5.600) 14.471 6.884 ( -0.000 11.657 -4.555) 12.516 7.262 ( 0.000 -10.597 9.192) 14.028 7.522 ( 0.000 -5.987 -16.760) 17.798 12.805 ( 0.000 -0.283 3.743) 3.753 12.886 ( -0.000 0.898 -3.984) 4.084 13.485 ( 0.000 -1.255 3.358) 3.585 13.551 ( 0.000 -1.209 -3.004) 3.238 17.324 ( -0.000 0.150 1.341) 1.349 17.351 ( -0.000 0.434 -1.276) 1.348 18.094 ( 0.000 -2.314 3.577) 4.260 18.158 ( 0.000 -0.943 -2.555) 2.724 18.245 ( -0.000 1.446 1.797) 2.306 18.288 ( -0.000 3.149 -2.275) 3.885 28.385 ( -0.000 1.151 0.270) 1.182 28.391 ( -0.000 1.139 -0.265) 1.169 30.960 ( -0.000 1.375 5.537) 5.705 31.077 ( -0.000 1.403 -5.712) 5.882 32.588 ( -0.000 5.944 0.892) 6.010 32.618 ( -0.000 5.793 -2.043) 6.142 34.757 ( 0.000 -5.512 6.552) 8.562 34.879 ( 0.000 -6.887 -5.120) 8.582 ======================= Grid point 399 (125/144) ======================= q-point: ( 0.18 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 8.857 -0.000 15.858) 18.164 2.277 ( 13.807 -0.000 2.342) 14.005 2.494 ( 13.101 -0.000 2.911) 13.420 2.534 ( 17.441 -0.000 -1.406) 17.497 2.757 ( 14.655 -0.000 -2.727) 14.906 2.858 ( 8.831 -0.000 -12.426) 15.244 3.554 ( 3.980 -0.000 2.063) 4.482 3.578 ( 0.829 -0.000 -0.824) 1.169 4.048 ( -0.931 0.000 16.635) 16.661 4.139 ( -14.105 0.000 7.963) 16.198 4.575 ( -6.027 0.000 2.776) 6.635 4.593 ( 13.858 -0.000 14.694) 20.199 4.705 ( 5.285 -0.000 0.792) 5.344 4.888 ( 6.372 -0.000 -5.145) 8.189 5.281 ( -2.467 0.000 -1.677) 2.984 5.312 ( -5.252 0.000 -5.009) 7.257 5.541 ( -1.200 0.000 7.774) 7.866 5.809 ( 0.686 -0.000 -5.394) 5.438 6.174 ( -13.980 0.000 4.378) 14.650 6.176 ( -6.697 0.000 -4.948) 8.327 6.376 ( -0.430 0.000 -3.492) 3.518 6.520 ( 2.174 -0.000 -14.752) 14.911 7.147 ( 1.471 -0.000 -0.464) 1.543 7.171 ( 0.676 -0.000 -3.752) 3.813 12.988 ( 1.973 -0.000 1.222) 2.321 13.002 ( -0.250 0.000 0.029) 0.252 13.448 ( -1.197 0.000 2.682) 2.937 13.501 ( -1.364 0.000 -2.398) 2.758 17.364 ( 2.497 -0.000 -0.139) 2.501 17.373 ( 1.646 -0.000 -0.789) 1.825 17.909 ( -2.249 0.000 3.586) 4.233 17.985 ( -1.931 0.000 -3.534) 4.027 18.226 ( 0.998 -0.000 2.509) 2.700 18.269 ( 1.436 -0.000 -1.580) 2.135 28.358 ( -0.348 0.000 0.104) 0.363 28.358 ( -0.112 0.000 0.070) 0.132 31.630 ( 7.300 -0.000 7.601) 10.539 31.795 ( 3.030 -0.000 -8.426) 8.955 32.583 ( 6.195 -0.000 0.019) 6.195 32.629 ( 11.272 -0.000 -4.373) 12.091 34.254 ( -11.624 0.000 3.867) 12.250 34.286 ( -11.465 0.000 1.126) 11.520 ======================= Grid point 400 (126/144) ======================= q-point: ( 0.27 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 8.259 4.098 13.424) 16.285 2.420 ( 6.804 4.238 -1.386) 8.135 2.671 ( 5.614 -4.557 2.618) 7.690 2.761 ( 4.409 -2.993 -5.863) 7.923 3.004 ( 15.654 0.782 2.458) 15.865 3.057 ( 16.047 -3.535 -2.468) 16.617 3.623 ( 4.905 -1.120 4.042) 6.454 3.693 ( 4.192 -6.971 -2.498) 8.510 3.893 ( -14.315 -1.102 12.455) 19.007 3.998 ( -4.289 0.976 7.991) 9.122 4.446 ( -5.473 5.138 5.923) 9.562 4.657 ( -0.457 6.694 -4.233) 7.934 4.839 ( 6.501 -1.161 13.099) 14.670 4.919 ( -4.168 -3.325 6.102) 8.104 5.169 ( -6.571 6.265 -2.047) 9.307 5.210 ( -3.925 4.704 -6.951) 9.266 5.534 ( 1.365 0.352 3.302) 3.590 5.789 ( -1.687 3.036 -11.102) 11.632 5.982 ( -10.744 -4.940 4.410) 12.621 6.107 ( -5.956 -6.899 -11.912) 14.999 6.410 ( 3.669 0.364 1.680) 4.051 6.556 ( 1.154 -1.748 -10.315) 10.525 7.175 ( 4.776 2.910 1.623) 5.823 7.226 ( 3.510 -1.154 -3.244) 4.917 12.982 ( -1.535 0.548 1.957) 2.547 13.008 ( 0.436 0.076 -0.631) 0.771 13.429 ( -0.673 0.475 2.617) 2.744 13.481 ( -0.758 0.372 -2.326) 2.474 17.396 ( 1.431 0.160 -0.026) 1.440 17.405 ( 1.767 -0.491 -0.971) 2.075 17.887 ( -1.300 -1.070 3.479) 3.865 17.965 ( -1.439 -1.259 -3.823) 4.275 18.248 ( 1.944 0.320 2.998) 3.587 18.300 ( 2.339 -0.082 -1.970) 3.059 28.353 ( -0.204 -0.009 0.321) 0.381 28.358 ( 0.031 -0.122 -0.153) 0.198 31.688 ( -0.078 -0.565 4.876) 4.910 31.793 ( -2.941 -1.037 -5.401) 6.237 32.717 ( 11.043 2.554 3.567) 11.883 32.841 ( 14.731 2.265 -8.142) 16.983 34.071 ( -9.794 0.495 5.430) 11.209 34.135 ( -9.071 -3.142 -0.681) 9.624 ======================= Grid point 401 (127/144) ======================= q-point: ( 0.36 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 6.707 8.077 8.327) 13.400 2.441 ( 3.136 6.947 -2.667) 8.075 2.739 ( -2.598 -5.284 2.698) 6.477 2.797 ( -3.193 -6.005 -1.494) 6.963 3.248 ( 12.985 2.854 7.874) 15.452 3.355 ( 11.848 -1.448 -0.603) 11.951 3.571 ( -9.135 -2.402 13.905) 16.810 3.722 ( -3.021 -7.504 2.047) 8.344 3.849 ( -5.231 -3.199 3.915) 7.275 3.972 ( 3.841 0.747 -7.712) 8.648 4.324 ( -3.364 1.911 7.745) 8.658 4.493 ( -8.806 6.624 -3.033) 11.429 4.830 ( -9.829 -0.659 7.731) 12.522 4.876 ( -1.663 0.685 17.354) 17.447 5.034 ( -1.153 5.511 1.262) 5.770 5.098 ( -1.486 5.885 -13.662) 14.949 5.568 ( 1.841 -0.375 -1.096) 2.175 5.727 ( -0.660 3.116 -5.070) 5.988 5.927 ( -5.035 -7.246 0.627) 8.846 6.098 ( -3.804 -5.702 -15.166) 16.643 6.470 ( 3.071 -0.808 2.794) 4.229 6.595 ( 0.744 -2.943 -8.230) 8.771 7.230 ( 5.530 3.657 3.132) 7.333 7.294 ( 4.444 0.379 -2.856) 5.296 12.945 ( -2.343 0.227 3.453) 4.180 13.005 ( -0.367 0.322 -2.363) 2.413 13.419 ( 0.203 0.589 2.630) 2.702 13.471 ( 0.193 0.517 -2.329) 2.393 17.408 ( 0.146 0.169 0.527) 0.572 17.428 ( 0.509 -0.196 -1.477) 1.574 17.885 ( -0.801 -1.717 3.316) 3.819 17.961 ( -1.144 -2.024 -3.826) 4.477 18.278 ( 2.353 0.815 3.510) 4.303 18.341 ( 2.642 0.261 -2.453) 3.615 28.353 ( 0.155 -0.009 0.555) 0.576 28.363 ( 0.392 -0.165 -0.420) 0.598 31.652 ( -5.130 -1.296 3.815) 6.523 31.739 ( -5.653 -2.364 -4.586) 7.653 32.857 ( 11.485 6.956 5.496) 14.508 33.018 ( 12.503 7.880 -9.717) 17.688 33.957 ( -5.035 -3.097 7.457) 9.516 34.065 ( -5.314 -6.334 -2.934) 8.772 ======================= Grid point 402 (128/144) ======================= q-point: (-0.55 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 3.208 12.142 4.550) 13.357 2.382 ( -0.490 8.587 -3.300) 9.213 2.708 ( -8.650 -4.627 4.801) 10.922 2.783 ( -6.779 -5.282 -2.343) 8.907 3.177 ( -10.429 2.533 17.993) 20.951 3.372 ( -6.266 -2.140 3.140) 7.328 3.713 ( -5.526 2.188 7.560) 9.616 3.731 ( 11.651 0.406 4.551) 12.515 3.791 ( -0.036 -8.942 -3.395) 9.565 3.912 ( -4.706 8.113 -9.073) 13.049 4.292 ( -8.842 -7.412 1.511) 11.637 4.324 ( -7.515 0.715 -0.461) 7.563 4.692 ( -1.830 4.091 12.995) 13.746 4.850 ( 0.374 -1.603 18.342) 18.416 4.968 ( 1.165 6.163 -5.777) 8.527 5.088 ( 2.808 0.287 -8.520) 8.975 5.581 ( 0.865 2.260 -0.706) 2.521 5.708 ( 0.492 1.361 -1.718) 2.246 5.940 ( -3.683 -8.399 -0.957) 9.221 6.092 ( -3.360 -4.870 -17.022) 18.021 6.515 ( 0.956 -1.521 2.791) 3.319 6.636 ( 0.273 -3.248 -7.882) 8.529 7.268 ( 4.743 5.177 4.863) 8.541 7.366 ( 5.632 1.482 -4.217) 7.191 12.906 ( -2.512 -0.286 4.598) 5.247 12.993 ( -0.733 0.243 -3.783) 3.861 13.423 ( 0.987 0.630 2.629) 2.878 13.476 ( 1.001 0.610 -2.383) 2.656 17.397 ( -1.036 0.446 0.915) 1.452 17.425 ( -0.661 0.345 -1.800) 1.948 17.896 ( -0.409 -2.272 3.246) 3.984 17.969 ( -0.763 -2.652 -3.700) 4.615 18.303 ( 2.078 1.497 3.899) 4.665 18.376 ( 2.287 0.969 -2.945) 3.853 28.360 ( 0.716 0.006 0.777) 1.057 28.375 ( 0.899 -0.123 -0.678) 1.133 31.556 ( -8.330 -1.391 4.437) 9.540 31.656 ( -7.944 -2.676 -5.072) 9.797 32.932 ( 8.480 10.116 4.886) 14.075 33.069 ( 6.654 12.004 -7.890) 15.831 33.986 ( 2.570 -6.141 6.867) 9.565 34.097 ( -0.210 -8.517 -3.662) 9.273 ======================= Grid point 403 (129/144) ======================= q-point: (-0.45 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -6.966 13.344 3.514) 15.458 2.236 ( -8.342 8.129 -4.851) 12.618 2.557 ( -10.213 1.144 6.822) 12.336 2.648 ( -10.159 1.427 -1.123) 10.320 3.070 ( -3.946 -1.967 12.247) 13.016 3.240 ( -9.202 2.160 -1.845) 9.631 3.524 ( -8.431 3.226 9.028) 12.767 3.699 ( -12.074 -5.448 -5.929) 14.513 3.899 ( 1.593 -0.853 4.446) 4.799 3.937 ( 4.724 0.454 1.821) 5.083 4.152 ( -8.156 1.012 3.493) 8.930 4.219 ( -3.437 -1.842 -1.206) 4.081 4.684 ( 0.818 0.148 10.275) 10.309 4.831 ( -2.888 4.205 6.343) 8.140 5.051 ( 10.116 -2.500 2.575) 10.734 5.154 ( 4.953 -0.590 -1.857) 5.323 5.559 ( 0.716 3.853 0.553) 3.958 5.699 ( -1.057 0.040 -1.834) 2.117 5.963 ( -4.182 -8.219 -1.486) 9.341 6.096 ( -2.870 -5.806 -19.152) 20.217 6.538 ( -0.692 -3.265 3.727) 5.003 6.675 ( -0.097 -4.770 -8.254) 9.534 7.281 ( 4.348 6.788 7.317) 10.887 7.442 ( 6.515 3.052 -7.917) 10.698 12.871 ( -2.444 -0.677 5.411) 5.976 12.977 ( -0.948 0.179 -4.808) 4.904 13.436 ( 1.390 0.692 2.549) 2.985 13.489 ( 1.328 0.636 -2.455) 2.862 17.370 ( -1.433 0.701 1.260) 2.033 17.404 ( -0.986 0.825 -2.004) 2.381 17.918 ( -0.051 -2.841 3.368) 4.407 17.990 ( -0.307 -3.245 -3.526) 4.802 18.314 ( 1.550 2.132 4.089) 4.865 18.394 ( 1.686 1.779 -3.425) 4.212 28.375 ( 1.253 0.102 0.898) 1.545 28.393 ( 1.297 0.097 -0.816) 1.536 31.414 ( -10.342 -0.632 5.462) 11.712 31.533 ( -10.080 -1.839 -5.838) 11.793 32.934 ( 4.924 10.425 3.073) 11.932 33.018 ( 3.296 12.312 -4.644) 13.566 34.137 ( 7.309 -6.334 4.715) 10.759 34.219 ( 3.994 -8.797 -3.017) 10.121 ======================= Grid point 404 (130/144) ======================= q-point: (-0.36 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -18.747 10.268 4.862) 21.921 1.939 ( -17.314 6.858 -7.818) 20.198 2.401 ( -4.149 7.094 9.427) 12.506 2.507 ( -2.160 5.749 0.865) 6.202 2.979 ( -8.262 6.965 0.020) 10.806 3.032 ( -5.417 10.092 -3.605) 12.008 3.462 ( -3.036 -8.398 12.479) 15.345 3.586 ( -10.040 -6.780 -2.903) 12.458 3.795 ( -10.979 -0.877 8.726) 14.052 3.949 ( -4.121 -9.289 -2.593) 10.488 4.109 ( 4.421 7.703 12.216) 15.103 4.270 ( 4.863 -0.586 -2.126) 5.340 4.653 ( -3.880 2.832 4.371) 6.495 4.718 ( -3.834 4.827 0.259) 6.169 5.217 ( 5.998 -0.015 13.338) 14.625 5.261 ( 8.387 -0.603 0.663) 8.435 5.537 ( 0.185 1.686 -0.860) 1.902 5.669 ( -2.963 -0.567 -1.220) 3.254 5.974 ( -4.079 -7.319 -4.672) 9.593 6.111 ( -2.478 -5.361 -21.125) 21.935 6.585 ( -0.216 -8.650 6.198) 10.644 6.744 ( 0.548 -8.625 -7.868) 11.688 7.270 ( 4.084 8.911 9.716) 13.801 7.506 ( 6.387 5.368 -12.756) 15.242 12.839 ( -2.286 -0.678 5.819) 6.288 12.957 ( -1.195 0.420 -5.456) 5.601 13.452 ( 1.289 0.681 2.435) 2.838 13.504 ( 1.139 0.400 -2.515) 2.789 17.343 ( -0.862 0.678 1.631) 1.965 17.382 ( -0.503 0.965 -2.062) 2.331 17.951 ( 0.240 -3.345 3.683) 4.981 18.024 ( 0.098 -3.704 -3.335) 4.985 18.312 ( 1.156 2.462 4.025) 4.858 18.395 ( 1.223 2.458 -3.802) 4.690 28.396 ( 1.441 0.351 0.819) 1.694 28.412 ( 1.314 0.511 -0.756) 1.600 31.243 ( -10.391 0.713 6.027) 12.033 31.372 ( -10.736 -0.181 -6.324) 12.461 32.889 ( 2.352 9.411 2.073) 9.919 32.945 ( 2.811 11.661 -2.927) 12.347 34.327 ( 7.562 -6.441 3.578) 10.558 34.390 ( 5.714 -8.698 -2.433) 10.688 ======================= Grid point 405 (131/144) ======================= q-point: (-0.27 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -16.188 7.064 7.500) 19.189 1.602 ( -14.095 6.291 -10.469) 18.651 2.269 ( -1.566 9.642 14.395) 17.397 2.444 ( 3.600 10.828 4.307) 12.197 2.703 ( -10.120 10.845 -2.915) 15.117 2.867 ( -2.729 12.499 -12.967) 18.216 3.491 ( -3.863 -5.556 3.086) 7.438 3.532 ( -5.042 -5.951 -1.879) 8.023 3.725 ( -2.397 -10.648 23.923) 26.296 3.968 ( -5.501 0.870 17.466) 18.332 4.103 ( 4.608 -0.856 -3.474) 5.834 4.320 ( 1.531 2.172 -6.457) 6.982 4.527 ( -5.346 3.742 2.854) 7.123 4.635 ( -1.672 2.888 -5.222) 6.197 5.274 ( 3.596 2.611 20.043) 20.530 5.392 ( 6.169 -0.867 3.396) 7.096 5.529 ( -0.199 -0.025 -2.218) 2.227 5.612 ( -4.635 -0.306 -0.136) 4.647 5.982 ( -2.979 -5.623 -8.166) 10.352 6.124 ( -1.477 -3.618 -22.912) 23.242 6.710 ( 0.649 -14.349 8.144) 16.512 6.864 ( 1.098 -11.195 -5.772) 12.643 7.228 ( 3.063 10.738 11.301) 15.887 7.531 ( 4.393 7.359 -17.583) 19.561 12.812 ( -1.652 -0.365 5.720) 5.965 12.931 ( -1.116 0.952 -5.661) 5.848 13.463 ( 0.729 0.415 2.508) 2.645 13.517 ( 0.631 -0.189 -2.628) 2.709 17.330 ( -0.071 0.415 1.835) 1.883 17.370 ( 0.025 0.836 -1.904) 2.080 17.993 ( 0.382 -3.688 4.077) 5.511 18.067 ( 0.315 -3.887 -3.113) 4.990 18.303 ( 0.803 2.448 3.688) 4.499 18.385 ( 0.850 2.933 -3.996) 5.029 28.411 ( 0.988 0.738 0.549) 1.350 28.422 ( 0.818 0.995 -0.550) 1.400 31.082 ( -7.042 1.968 5.895) 9.392 31.208 ( -7.812 1.648 -6.167) 10.088 32.824 ( 1.119 8.811 1.757) 9.054 32.869 ( 1.810 10.920 -2.339) 11.313 34.499 ( 4.707 -7.268 3.836) 9.471 34.567 ( 4.489 -9.221 -2.765) 10.621 ======================= Grid point 406 (132/144) ======================= q-point: (-0.18 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -0.000 5.909 8.513) 10.363 1.415 ( -0.000 6.073 -11.327) 12.852 2.159 ( -0.000 9.443 19.487) 21.655 2.321 ( -0.000 18.819 18.698) 26.528 2.548 ( -0.000 2.757 -16.927) 17.150 2.707 ( -0.000 12.666 -18.513) 22.431 3.508 ( 0.000 -4.722 0.904) 4.808 3.539 ( 0.000 -4.513 -2.186) 5.015 3.761 ( -0.000 17.312 30.368) 34.957 3.874 ( 0.000 -10.419 27.640) 29.539 4.255 ( 0.000 -16.556 -10.652) 19.687 4.294 ( -0.000 2.121 -17.359) 17.488 4.441 ( -0.000 2.920 8.034) 8.548 4.604 ( -0.000 1.619 -7.085) 7.268 5.284 ( -0.000 1.118 23.180) 23.207 5.471 ( 0.000 -1.859 5.107) 5.435 5.519 ( -0.000 1.834 1.189) 2.186 5.561 ( 0.000 -1.589 -3.352) 3.710 6.004 ( 0.000 -4.133 -9.608) 10.459 6.141 ( 0.000 -2.358 -23.302) 23.421 6.866 ( 0.000 -13.451 7.894) 15.596 6.962 ( 0.000 -3.342 -1.126) 3.527 7.159 ( -0.000 6.684 10.268) 12.251 7.497 ( -0.000 5.792 -21.145) 21.924 12.800 ( 0.000 -0.208 5.143) 5.147 12.908 ( -0.000 1.253 -5.271) 5.418 13.467 ( 0.000 -0.229 2.877) 2.886 13.528 ( 0.000 -0.853 -2.832) 2.957 17.328 ( -0.000 0.249 1.717) 1.735 17.363 ( -0.000 0.708 -1.646) 1.791 18.034 ( 0.000 -3.560 4.335) 5.610 18.109 ( 0.000 -3.502 -2.878) 4.533 18.286 ( -0.000 2.331 3.116) 3.891 18.361 ( -0.000 3.421 -3.923) 5.205 28.410 ( -0.000 1.109 0.317) 1.153 28.417 ( -0.000 1.307 -0.385) 1.363 30.998 ( -0.000 2.314 5.589) 6.049 31.117 ( -0.000 2.379 -5.751) 6.223 32.745 ( -0.000 8.693 1.149) 8.768 32.778 ( -0.000 9.705 -1.873) 9.884 34.616 ( 0.000 -7.691 4.858) 9.097 34.704 ( 0.000 -9.594 -3.628) 10.257 ======================= Grid point 411 (133/144) ======================= q-point: ( 0.27 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 7.078 -0.000 12.297) 14.188 2.548 ( 5.105 -0.000 -0.879) 5.180 2.668 ( -1.220 0.000 1.938) 2.290 2.739 ( -4.577 0.000 -4.957) 6.747 3.280 ( 16.398 -0.000 5.062) 17.161 3.350 ( 20.853 -0.000 -2.298) 20.979 3.543 ( -18.288 0.000 10.309) 20.994 3.593 ( -10.269 0.000 1.753) 10.418 3.822 ( 6.067 -0.000 3.862) 7.192 3.978 ( 3.819 -0.000 -1.398) 4.067 4.353 ( -10.197 0.000 9.641) 14.033 4.604 ( -12.932 0.000 -8.300) 15.366 4.791 ( -5.957 0.000 14.431) 15.613 4.881 ( 0.690 -0.000 15.305) 15.320 5.096 ( -4.519 0.000 -1.420) 4.737 5.192 ( -2.657 0.000 -6.120) 6.672 5.547 ( 1.324 -0.000 -4.812) 4.991 5.769 ( -3.793 0.000 -16.631) 17.058 5.835 ( -3.515 0.000 8.801) 9.477 6.033 ( -0.485 0.000 -12.845) 12.854 6.466 ( 3.073 -0.000 0.699) 3.152 6.556 ( 0.213 -0.000 -7.339) 7.342 7.276 ( 5.662 -0.000 1.128) 5.774 7.291 ( 4.812 -0.000 -0.279) 4.820 12.948 ( -2.654 0.000 3.529) 4.415 13.009 ( -0.395 0.000 -2.395) 2.428 13.426 ( 0.110 -0.000 2.576) 2.578 13.477 ( 0.174 -0.000 -2.303) 2.309 17.410 ( 0.208 -0.000 0.294) 0.360 17.425 ( 0.822 -0.000 -1.186) 1.444 17.866 ( -0.723 0.000 2.981) 3.067 17.938 ( -1.124 0.000 -3.764) 3.928 18.287 ( 2.491 -0.000 3.279) 4.118 18.343 ( 2.847 -0.000 -2.067) 3.518 28.353 ( 0.176 -0.000 0.462) 0.494 28.361 ( 0.391 -0.000 -0.317) 0.503 31.639 ( -5.029 0.000 3.018) 5.865 31.714 ( -5.630 0.000 -4.374) 7.129 32.937 ( 13.134 -0.000 6.323) 14.577 33.111 ( 15.679 -0.000 -10.001) 18.597 33.927 ( -7.752 0.000 4.936) 9.190 33.981 ( -6.973 0.000 -0.401) 6.985 ======================= Grid point 412 (134/144) ======================= q-point: ( 0.36 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 4.259 4.673 7.806) 10.046 2.576 ( 1.190 7.977 -1.479) 8.200 2.610 ( -6.094 -3.814 3.779) 8.122 2.686 ( -3.237 -3.063 -2.682) 5.201 3.216 ( -18.956 1.090 12.378) 22.666 3.326 ( -15.122 -2.441 1.783) 15.421 3.576 ( 10.866 -4.689 5.853) 13.203 3.670 ( 11.413 -3.305 -3.255) 12.320 3.880 ( 2.688 5.840 6.093) 8.858 4.060 ( 3.877 3.953 -8.989) 10.558 4.152 ( -13.837 -4.849 6.929) 16.217 4.328 ( -15.221 0.134 -7.455) 16.949 4.745 ( 0.138 0.488 21.696) 21.702 4.869 ( -0.919 2.150 19.383) 19.523 5.039 ( -1.259 1.462 -0.734) 2.064 5.147 ( 0.553 3.347 -8.702) 9.340 5.574 ( 0.421 -0.646 -11.025) 11.051 5.718 ( -3.086 -3.524 -14.725) 15.452 5.815 ( -1.301 -1.032 9.044) 9.195 6.033 ( -1.112 -1.137 -12.722) 12.821 6.503 ( 1.494 0.380 -0.498) 1.620 6.568 ( -0.469 -2.767 -6.300) 6.896 7.347 ( 4.663 2.533 2.399) 5.824 7.377 ( 5.525 -0.312 -0.383) 5.547 12.903 ( -2.784 -0.031 4.961) 5.688 12.998 ( -0.792 0.156 -4.154) 4.232 13.434 ( 1.003 0.308 2.642) 2.843 13.487 ( 1.164 0.342 -2.415) 2.703 17.404 ( -0.854 0.182 0.834) 1.208 17.429 ( -0.258 0.068 -1.602) 1.624 17.861 ( -0.523 -0.921 2.569) 2.779 17.927 ( -1.007 -1.196 -3.601) 3.925 18.324 ( 2.231 0.504 3.611) 4.274 18.387 ( 2.496 0.212 -2.336) 3.425 28.360 ( 0.773 0.027 0.616) 0.988 28.372 ( 0.927 -0.111 -0.516) 1.067 31.537 ( -7.646 -0.461 3.177) 8.293 31.617 ( -6.996 -1.031 -4.597) 8.434 33.098 ( 8.998 5.015 7.466) 12.722 33.291 ( 9.839 7.870 -10.557) 16.438 33.869 ( -0.336 -4.533 5.256) 6.949 33.936 ( -1.460 -5.386 -1.270) 5.723 ======================= Grid point 413 (135/144) ======================= q-point: (-0.55 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -15.761 5.348 2.084) 16.774 2.394 ( -9.731 5.756 -1.126) 11.361 2.599 ( 0.951 5.957 5.027) 7.853 2.656 ( -2.102 0.095 -1.394) 2.524 2.984 ( -9.278 -4.734 14.570) 17.910 3.154 ( -11.622 -9.026 -2.140) 14.870 3.633 ( -9.564 5.703 4.999) 12.206 3.678 ( -6.293 1.732 0.715) 6.566 3.849 ( -5.540 -1.385 3.127) 6.511 3.955 ( -5.645 -1.895 -6.741) 8.995 4.130 ( 5.246 0.885 5.419) 7.594 4.251 ( 4.120 1.477 -3.831) 5.817 4.743 ( 0.489 4.456 20.046) 20.541 4.861 ( 2.055 -0.321 18.278) 18.396 5.040 ( 3.831 0.620 -0.093) 3.882 5.160 ( 4.303 1.742 -9.153) 10.263 5.572 ( -2.183 -3.126 -8.692) 9.491 5.721 ( -0.848 -0.260 -6.190) 6.254 5.803 ( -3.203 -4.333 4.423) 6.972 6.018 ( -2.065 -1.808 -16.104) 16.336 6.504 ( -1.079 -0.127 0.115) 1.093 6.588 ( -1.394 -3.658 -7.357) 8.334 7.382 ( 3.588 3.383 4.940) 6.980 7.471 ( 5.916 0.108 -3.365) 6.807 12.862 ( -2.415 -0.224 6.061) 6.529 12.983 ( -0.777 0.264 -5.517) 5.578 13.451 ( 1.552 0.588 2.644) 3.121 13.505 ( 1.695 0.774 -2.569) 3.174 17.382 ( -1.386 0.425 1.390) 2.009 17.417 ( -0.764 0.435 -2.010) 2.194 17.868 ( -0.404 -1.851 2.416) 3.070 17.930 ( -0.818 -2.368 -3.466) 4.276 18.346 ( 1.503 1.036 3.901) 4.307 18.417 ( 1.679 0.587 -2.720) 3.250 28.377 ( 1.365 0.076 0.771) 1.570 28.393 ( 1.425 -0.117 -0.707) 1.595 31.405 ( -8.995 -0.266 4.302) 9.975 31.505 ( -8.189 -0.945 -5.251) 9.773 33.122 ( 2.625 7.491 6.553) 10.293 33.278 ( 3.105 12.213 -7.618) 14.725 34.004 ( 7.396 -7.549 2.163) 10.787 34.036 ( 4.777 -7.328 -0.567) 8.766 ======================= Grid point 414 (136/144) ======================= q-point: (-0.45 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -24.343 5.089 4.300) 25.239 2.079 ( -19.111 6.302 -6.518) 21.153 2.539 ( 0.053 7.086 6.306) 9.486 2.616 ( 0.847 4.689 0.175) 4.768 2.985 ( -0.733 -6.295 10.049) 11.880 3.103 ( -5.499 -4.343 -1.522) 7.171 3.435 ( -7.398 3.476 3.433) 8.866 3.478 ( -10.697 -0.286 -1.471) 10.802 3.718 ( -13.089 -3.842 6.700) 15.198 3.857 ( -9.144 -1.010 -6.815) 11.449 4.244 ( 10.292 3.574 9.148) 14.226 4.338 ( 9.944 7.410 1.823) 12.535 4.696 ( -1.264 2.473 11.545) 11.874 4.836 ( -2.564 5.641 7.714) 9.894 5.176 ( 9.039 -3.653 5.627) 11.256 5.249 ( 6.951 -0.589 -3.716) 7.904 5.570 ( -2.338 -2.690 -3.271) 4.838 5.668 ( -2.959 3.223 4.113) 6.006 5.809 ( -4.204 -8.453 -2.229) 9.700 6.017 ( -1.158 -3.200 -22.301) 22.559 6.481 ( -2.449 -1.852 1.712) 3.516 6.600 ( -2.091 -5.027 -8.789) 10.339 7.399 ( 3.091 4.046 7.841) 9.349 7.563 ( 5.570 0.484 -7.627) 9.457 12.830 ( -1.890 -0.288 6.757) 7.022 12.967 ( -0.690 0.488 -6.401) 6.456 13.469 ( 1.512 0.858 2.460) 3.012 13.522 ( 1.531 1.186 -2.634) 3.269 17.355 ( -1.115 0.512 1.912) 2.272 17.400 ( -0.588 0.708 -2.287) 2.466 17.886 ( -0.259 -2.785 2.578) 3.804 17.949 ( -0.525 -3.420 -3.389) 4.843 18.352 ( 0.846 1.455 4.090) 4.423 18.430 ( 0.937 0.998 -3.155) 3.439 28.401 ( 1.589 0.161 0.841) 1.805 28.418 ( 1.522 0.063 -0.789) 1.715 31.257 ( -8.735 0.665 5.308) 10.243 31.373 ( -8.333 0.191 -5.764) 10.134 33.063 ( 0.123 7.352 5.736) 9.326 33.191 ( 2.002 11.939 -6.164) 13.584 34.204 ( 5.832 -7.576 0.685) 9.586 34.209 ( 8.141 -6.615 -0.038) 10.490 ======================= Grid point 415 (137/144) ======================= q-point: (-0.36 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -19.328 5.136 7.323) 21.298 1.728 ( -14.647 5.734 -10.500) 18.913 2.454 ( -0.642 8.362 9.418) 12.610 2.599 ( 3.197 4.991 -2.820) 6.564 2.951 ( -4.768 10.208 5.693) 12.623 3.056 ( -0.120 2.018 -2.652) 3.335 3.366 ( -0.806 -3.838 4.895) 6.272 3.390 ( -5.442 -6.214 -0.094) 8.261 3.557 ( -11.033 -5.328 10.280) 15.993 3.755 ( -5.686 -6.795 -6.416) 10.939 4.353 ( 9.616 8.161 8.460) 15.187 4.388 ( 5.203 7.366 7.297) 11.601 4.627 ( -4.728 5.361 6.787) 9.857 4.708 ( -3.266 5.213 -1.302) 6.288 5.331 ( 6.821 0.927 12.499) 14.269 5.369 ( 5.843 -1.098 1.423) 6.113 5.533 ( -2.700 0.843 0.253) 2.839 5.601 ( -3.805 -1.624 2.712) 4.947 5.840 ( -2.548 -8.372 -6.421) 10.854 6.040 ( -0.574 -3.836 -25.210) 25.506 6.486 ( -1.495 -6.565 4.518) 8.109 6.641 ( -1.157 -8.876 -9.293) 12.903 7.395 ( 2.133 5.444 10.391) 11.923 7.630 ( 3.731 1.950 -11.850) 12.576 12.807 ( -1.190 -0.145 6.942) 7.045 12.950 ( -0.548 0.885 -6.774) 6.854 13.479 ( 0.902 1.020 2.165) 2.557 13.529 ( 0.822 1.239 -2.552) 2.953 17.339 ( -0.399 0.366 2.245) 2.309 17.386 ( -0.149 0.751 -2.308) 2.432 17.916 ( -0.080 -3.583 3.010) 4.680 17.982 ( -0.189 -4.187 -3.334) 5.356 18.346 ( 0.443 1.719 4.134) 4.499 18.428 ( 0.470 1.409 -3.555) 3.853 28.421 ( 1.115 0.314 0.756) 1.383 28.437 ( 0.991 0.398 -0.720) 1.289 31.123 ( -5.821 1.869 5.711) 8.367 31.244 ( -5.867 1.741 -5.919) 8.514 32.990 ( 0.086 7.225 5.170) 8.885 33.102 ( 1.468 11.448 -5.381) 12.734 34.359 ( 3.987 -6.825 1.684) 8.082 34.388 ( 4.653 -7.655 -1.307) 9.053 ======================= Grid point 416 (138/144) ======================= q-point: (-0.27 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -0.000 5.053 9.278) 10.565 1.542 ( -0.000 6.006 -11.948) 13.372 2.357 ( -0.000 9.467 12.991) 16.074 2.605 ( -0.000 2.725 -10.096) 10.458 2.725 ( -0.000 19.561 12.871) 23.416 2.981 ( -0.000 11.881 -12.095) 16.955 3.400 ( 0.000 -5.674 1.206) 5.800 3.435 ( 0.000 -5.489 -2.195) 5.911 3.548 ( 0.000 -13.769 23.491) 27.229 3.825 ( 0.000 -13.721 -2.938) 14.032 4.292 ( -0.000 19.338 9.559) 21.571 4.385 ( -0.000 4.592 0.885) 4.676 4.503 ( -0.000 2.963 7.905) 8.442 4.650 ( -0.000 3.040 -5.971) 6.701 5.350 ( -0.000 5.197 21.728) 22.341 5.434 ( 0.000 -1.638 3.632) 3.984 5.521 ( 0.000 -2.301 -4.219) 4.806 5.567 ( -0.000 1.256 0.128) 1.263 5.895 ( 0.000 -6.712 -8.780) 11.051 6.075 ( 0.000 -3.917 -25.008) 25.313 6.573 ( 0.000 -12.258 7.210) 14.222 6.744 ( 0.000 -12.362 -8.230) 14.851 7.347 ( -0.000 7.875 11.746) 14.141 7.629 ( -0.000 4.646 -15.195) 15.890 12.797 ( 0.000 -0.048 6.561) 6.562 12.934 ( -0.000 1.200 -6.541) 6.650 13.476 ( -0.000 0.947 2.103) 2.306 13.525 ( -0.000 0.677 -2.484) 2.574 17.333 ( -0.000 0.257 2.197) 2.212 17.378 ( -0.000 0.746 -2.114) 2.242 17.955 ( 0.000 -4.021 3.581) 5.384 18.026 ( 0.000 -4.450 -3.242) 5.506 18.331 ( -0.000 1.981 4.004) 4.468 18.416 ( -0.000 1.959 -3.872) 4.339 28.426 ( -0.000 0.546 0.598) 0.809 28.439 ( -0.000 0.770 -0.600) 0.976 31.049 ( -0.000 2.519 5.677) 6.211 31.169 ( -0.000 2.615 -5.823) 6.383 32.916 ( -0.000 7.779 3.856) 8.682 32.999 ( -0.000 11.440 -3.991) 12.116 34.464 ( 0.000 -7.079 2.565) 7.529 34.511 ( 0.000 -8.973 -2.153) 9.227 ======================= Grid point 423 (139/144) ======================= q-point: ( 0.36 -0.64 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -18.108 0.000 4.680) 18.703 2.455 ( -10.912 0.000 -1.237) 10.982 2.655 ( 6.276 -0.000 4.234) 7.571 2.738 ( 5.540 -0.000 -0.168) 5.543 2.942 ( -13.986 0.000 6.467) 15.409 2.986 ( -18.238 0.000 2.199) 18.370 3.699 ( -0.762 0.000 3.811) 3.886 3.720 ( -4.051 0.000 1.427) 4.295 3.862 ( -14.263 0.000 0.917) 14.292 3.868 ( -10.339 0.000 4.365) 11.223 4.184 ( 7.376 -0.000 -3.794) 8.295 4.246 ( 11.193 -0.000 -6.091) 12.743 4.794 ( 4.506 -0.000 26.418) 26.800 4.862 ( -1.976 0.000 21.343) 21.434 5.058 ( 2.900 -0.000 2.117) 3.590 5.175 ( 1.587 -0.000 -5.438) 5.665 5.582 ( -0.987 0.000 -17.174) 17.202 5.591 ( -6.190 0.000 -18.108) 19.137 5.830 ( 1.486 -0.000 7.837) 7.977 5.999 ( -2.799 0.000 -9.286) 9.699 6.526 ( -2.388 0.000 -4.421) 5.025 6.529 ( 0.748 -0.000 -4.405) 4.468 7.420 ( 2.840 -0.000 3.321) 4.369 7.466 ( 5.474 -0.000 -1.085) 5.581 12.860 ( -2.424 0.000 6.301) 6.751 12.986 ( -0.733 0.000 -5.770) 5.817 13.457 ( 1.601 -0.000 2.762) 3.193 13.514 ( 1.867 -0.000 -2.678) 3.264 17.386 ( -1.372 0.000 1.433) 1.984 17.422 ( -0.649 0.000 -1.975) 2.079 17.849 ( -0.488 0.000 1.907) 1.968 17.905 ( -0.984 0.000 -3.336) 3.478 18.357 ( 1.471 -0.000 3.750) 4.028 18.422 ( 1.671 -0.000 -2.385) 2.912 28.378 ( 1.398 -0.000 0.637) 1.536 28.391 ( 1.457 -0.000 -0.579) 1.568 31.403 ( -8.517 0.000 3.864) 9.352 31.495 ( -7.437 0.000 -5.069) 9.000 33.206 ( 1.072 -0.000 9.148) 9.210 33.435 ( 1.712 -0.000 -12.620) 12.735 33.884 ( 6.574 -0.000 6.060) 8.941 33.966 ( 7.902 -0.000 -1.861) 8.118 ======================= Grid point 425 (140/144) ======================= q-point: (-0.55 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -25.190 0.885 6.812) 26.110 2.174 ( -20.634 2.584 -7.852) 22.228 2.698 ( -2.349 8.065 3.618) 9.146 2.708 ( 1.161 5.206 2.434) 5.863 2.838 ( -0.097 -6.593 7.656) 10.104 2.915 ( -2.382 -10.950 -0.306) 11.211 3.497 ( -13.627 1.609 1.858) 13.847 3.520 ( -14.801 1.569 -0.330) 14.888 3.690 ( -7.131 1.026 6.933) 9.999 3.843 ( -2.114 -1.163 -5.748) 6.234 4.315 ( 10.664 3.147 7.679) 13.512 4.463 ( 13.840 3.292 -3.301) 14.604 4.777 ( -2.159 5.612 20.636) 21.494 4.892 ( 2.325 -1.989 21.537) 21.753 5.119 ( 5.097 0.196 2.925) 5.880 5.231 ( 4.328 -2.340 -4.968) 6.992 5.485 ( -4.443 -0.707 -13.828) 14.542 5.597 ( -4.988 -8.358 -12.753) 16.043 5.821 ( 0.143 5.896 4.166) 7.221 5.961 ( -2.555 -2.907 -11.626) 12.253 6.476 ( -2.883 0.374 -2.532) 3.855 6.540 ( -0.765 -1.204 -7.382) 7.518 7.450 ( 1.946 1.256 5.358) 5.837 7.550 ( 4.367 -0.945 -4.105) 6.067 12.826 ( -1.729 -0.064 7.283) 7.486 12.975 ( -0.490 0.213 -6.927) 6.947 13.482 ( 1.627 0.375 2.809) 3.268 13.542 ( 1.863 0.605 -2.955) 3.545 17.363 ( -1.272 0.194 2.097) 2.460 17.410 ( -0.612 0.261 -2.383) 2.474 17.846 ( -0.426 -1.026 1.584) 1.935 17.897 ( -0.815 -1.437 -3.179) 3.582 18.372 ( 0.696 0.465 3.901) 3.990 18.441 ( 0.823 0.217 -2.586) 2.723 28.403 ( 1.627 0.073 0.680) 1.765 28.417 ( 1.606 -0.068 -0.644) 1.731 31.267 ( -7.810 0.270 4.931) 9.240 31.377 ( -6.984 0.124 -5.591) 8.947 33.172 ( -1.959 2.973 9.289) 9.948 33.392 ( -0.811 6.404 -11.552) 13.233 34.048 ( 8.127 -5.248 5.149) 10.959 34.130 ( 9.439 -2.124 -2.593) 10.017 ======================= Grid point 426 (141/144) ======================= q-point: (-0.45 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -20.037 2.453 8.200) 21.788 1.824 ( -16.058 3.502 -11.421) 20.014 2.601 ( -1.156 5.899 5.732) 8.306 2.674 ( 0.087 2.637 -0.731) 2.738 2.930 ( 1.917 -6.468 7.879) 10.373 3.003 ( 0.634 -7.136 0.253) 7.168 3.317 ( -8.121 -1.749 1.215) 8.396 3.336 ( -6.875 -1.649 -0.348) 7.079 3.549 ( -6.026 5.340 10.493) 13.226 3.775 ( -3.198 4.676 -11.027) 12.397 4.441 ( 8.879 4.365 15.207) 18.142 4.569 ( 5.387 8.101 9.920) 13.895 4.708 ( 0.903 3.070 3.950) 5.084 4.860 ( -2.970 7.512 8.425) 11.672 5.249 ( 5.854 -7.558 6.235) 11.414 5.351 ( 6.604 -1.702 -2.751) 7.354 5.456 ( -3.668 -5.513 -4.888) 8.231 5.592 ( -5.901 -7.624 -6.538) 11.649 5.733 ( -1.824 5.411 5.180) 7.709 5.975 ( -0.370 -3.351 -19.244) 19.537 6.432 ( -2.153 -0.318 -1.045) 2.415 6.534 ( -1.204 -1.668 -9.231) 9.457 7.461 ( 1.268 1.622 7.729) 7.999 7.624 ( 2.790 -1.737 -7.559) 8.243 12.805 ( -0.945 -0.021 7.765) 7.822 12.965 ( -0.280 0.534 -7.522) 7.546 13.498 ( 0.999 0.758 2.643) 2.926 13.557 ( 1.099 1.280 -3.036) 3.474 17.345 ( -0.656 0.213 2.574) 2.665 17.399 ( -0.282 0.441 -2.602) 2.654 17.856 ( -0.249 -2.090 1.722) 2.720 17.908 ( -0.445 -2.801 -3.182) 4.262 18.372 ( 0.249 0.836 4.039) 4.132 18.446 ( 0.303 0.443 -2.884) 2.934 28.425 ( 1.136 0.131 0.719) 1.351 28.440 ( 1.073 0.001 -0.681) 1.271 31.154 ( -4.975 1.131 5.627) 7.595 31.274 ( -4.635 1.102 -5.879) 7.567 33.108 ( -1.134 4.185 8.825) 9.833 33.310 ( 0.004 8.263 -10.275) 13.185 34.213 ( 4.547 -6.319 3.938) 8.724 34.283 ( 5.555 -3.244 -2.480) 6.895 ======================= Grid point 427 (142/144) ======================= q-point: (-0.36 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -0.000 3.596 9.574) 10.227 1.647 ( -0.000 4.170 -13.056) 13.706 2.527 ( -0.000 7.007 7.859) 10.529 2.655 ( -0.000 2.059 -3.949) 4.454 2.998 ( -0.000 0.169 7.550) 7.552 3.048 ( 0.000 -2.119 1.667) 2.696 3.290 ( 0.000 -4.820 1.398) 5.018 3.324 ( 0.000 -5.143 -1.843) 5.463 3.434 ( -0.000 3.154 13.089) 13.463 3.690 ( -0.000 3.656 -11.134) 11.719 4.470 ( -0.000 5.591 19.344) 20.136 4.553 ( -0.000 1.901 9.743) 9.927 4.668 ( -0.000 15.701 6.155) 16.864 4.722 ( -0.000 3.647 -6.576) 7.520 5.408 ( 0.000 -0.847 1.332) 1.578 5.409 ( 0.000 -6.283 10.523) 12.256 5.472 ( 0.000 -2.464 -4.251) 4.914 5.552 ( -0.000 1.166 5.336) 5.462 5.731 ( 0.000 -7.702 -3.965) 8.662 6.005 ( 0.000 -2.889 -24.280) 24.451 6.426 ( 0.000 -2.449 1.292) 2.769 6.556 ( 0.000 -5.243 -9.908) 11.209 7.452 ( -0.000 2.762 9.692) 10.078 7.663 ( 0.000 -0.882 -10.274) 10.311 12.797 ( -0.000 0.038 7.647) 7.647 12.955 ( -0.000 0.853 -7.491) 7.539 13.498 ( -0.000 1.002 2.322) 2.529 13.551 ( -0.000 1.607 -2.833) 3.257 17.338 ( -0.000 0.183 2.636) 2.642 17.392 ( -0.000 0.556 -2.538) 2.598 17.881 ( 0.000 -3.038 2.264) 3.789 17.939 ( 0.000 -3.806 -3.272) 5.019 18.364 ( -0.000 1.190 4.129) 4.297 18.442 ( -0.000 0.774 -3.218) 3.310 28.434 ( -0.000 0.202 0.726) 0.753 28.448 ( -0.000 0.185 -0.689) 0.713 31.095 ( -0.000 1.924 5.778) 6.089 31.218 ( -0.000 2.015 -5.912) 6.246 33.052 ( -0.000 5.382 7.635) 9.341 33.220 ( -0.000 9.777 -8.322) 12.839 34.318 ( 0.000 -7.126 2.699) 7.620 34.368 ( 0.000 -4.731 -2.011) 5.140 ======================= Grid point 436 (143/144) ======================= q-point: ( 0.45 -0.55 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -19.810 0.000 8.724) 21.646 1.861 ( -16.876 0.000 -12.073) 20.750 2.673 ( -2.985 0.000 4.002) 4.993 2.705 ( -2.698 0.000 1.477) 3.076 2.859 ( 4.180 -0.000 4.066) 5.831 2.891 ( 2.887 -0.000 3.531) 4.561 3.297 ( -9.622 0.000 0.637) 9.643 3.308 ( -10.054 0.000 -0.242) 10.057 3.637 ( -2.336 0.000 9.136) 9.430 3.823 ( -0.784 0.000 -8.129) 8.167 4.498 ( 8.935 -0.000 11.134) 14.276 4.681 ( 9.531 -0.000 0.186) 9.532 4.796 ( -1.148 0.000 16.448) 16.488 4.872 ( -1.487 0.000 26.362) 26.404 5.201 ( 3.668 -0.000 0.224) 3.675 5.262 ( 2.830 -0.000 -8.462) 8.922 5.436 ( -2.503 0.000 -10.214) 10.516 5.456 ( -5.037 0.000 -7.727) 9.224 5.875 ( -3.432 0.000 -8.277) 8.961 5.884 ( 1.154 -0.000 -4.537) 4.681 6.430 ( -2.368 0.000 -2.076) 3.149 6.531 ( -0.226 0.000 -8.701) 8.704 7.477 ( 0.830 -0.000 5.841) 5.900 7.598 ( 2.257 -0.000 -5.530) 5.972 12.805 ( -0.875 0.000 8.054) 8.101 12.971 ( -0.209 0.000 -7.781) 7.784 13.507 ( 1.041 -0.000 2.950) 3.128 13.572 ( 1.213 -0.000 -3.303) 3.519 17.347 ( -0.755 0.000 2.702) 2.806 17.403 ( -0.333 0.000 -2.708) 2.728 17.835 ( -0.278 0.000 1.068) 1.104 17.878 ( -0.518 0.000 -2.974) 3.019 18.381 ( 0.199 -0.000 3.922) 3.927 18.450 ( 0.264 -0.000 -2.581) 2.595 28.427 ( 1.132 -0.000 0.617) 1.290 28.440 ( 1.097 -0.000 -0.587) 1.244 31.166 ( -4.674 0.000 5.605) 7.298 31.286 ( -4.215 0.000 -5.884) 7.238 33.152 ( -1.738 0.000 10.433) 10.577 33.402 ( -1.172 0.000 -13.610) 13.660 34.142 ( 5.595 -0.000 6.726) 8.748 34.250 ( 5.865 -0.000 -3.579) 6.871 ======================= Grid point 438 (144/144) ======================= q-point: (-0.45 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -0.000 1.329 9.550) 9.642 1.706 ( -0.000 1.487 -13.677) 13.757 2.633 ( -0.000 3.122 4.479) 5.460 2.682 ( -0.000 0.451 0.052) 0.454 2.904 ( 0.000 -2.517 6.347) 6.828 2.951 ( 0.000 -5.760 2.405) 6.242 3.221 ( 0.000 -1.527 0.800) 1.724 3.239 ( 0.000 -2.765 -0.818) 2.883 3.583 ( -0.000 6.573 10.609) 12.480 3.800 ( -0.000 3.211 -10.357) 10.843 4.580 ( -0.000 0.662 11.726) 11.745 4.658 ( -0.000 12.680 25.860) 28.801 4.780 ( -0.000 1.685 -7.685) 7.868 4.886 ( -0.000 1.056 19.396) 19.424 5.212 ( 0.000 -3.726 -4.295) 5.686 5.390 ( 0.000 -13.147 -8.569) 15.693 5.403 ( -0.000 0.324 -1.100) 1.146 5.427 ( 0.000 -1.686 -3.232) 3.646 5.789 ( -0.000 7.617 -1.369) 7.739 5.932 ( 0.000 -4.573 -13.686) 14.430 6.411 ( 0.000 -0.150 -1.669) 1.676 6.525 ( -0.000 0.634 -9.407) 9.428 7.481 ( -0.000 0.565 6.782) 6.805 7.626 ( 0.000 -1.765 -6.877) 7.100 12.798 ( -0.000 0.027 8.228) 8.228 12.967 ( -0.000 0.308 -7.990) 7.996 13.513 ( -0.000 0.439 2.888) 2.921 13.578 ( -0.000 0.777 -3.346) 3.435 17.340 ( -0.000 0.065 2.898) 2.898 17.400 ( -0.000 0.205 -2.790) 2.797 17.838 ( 0.000 -1.070 1.124) 1.552 17.882 ( 0.000 -1.552 -2.990) 3.369 18.380 ( -0.000 0.396 3.972) 3.992 18.451 ( -0.000 0.166 -2.688) 2.693 28.436 ( -0.000 0.071 0.633) 0.636 28.449 ( 0.000 -0.032 -0.598) 0.599 31.123 ( -0.000 0.717 5.847) 5.890 31.247 ( -0.000 0.755 -5.975) 6.023 33.127 ( -0.000 1.933 10.279) 10.459 33.370 ( -0.000 4.225 -13.013) 13.682 34.205 ( 0.000 -3.259 6.047) 6.869 34.306 ( 0.000 -1.522 -3.452) 3.773 =================== 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 3/35574 10.0 119.611 188.892 163.615 0.000 0.000 -0.000 3/35574 20.0 24.396 29.324 41.333 0.000 0.000 -0.000 3/35574 30.0 11.527 11.800 20.593 0.000 0.000 -0.000 3/35574 40.0 7.173 6.915 12.988 0.000 0.000 -0.000 3/35574 50.0 5.132 4.834 9.304 0.000 0.000 -0.000 3/35574 60.0 3.988 3.723 7.221 0.000 0.000 -0.000 3/35574 70.0 3.267 3.041 5.911 0.000 0.000 -0.000 3/35574 80.0 2.774 2.581 5.019 0.000 0.000 -0.000 3/35574 90.0 2.416 2.249 4.375 0.000 0.000 -0.000 3/35574 100.0 2.144 1.997 3.886 0.000 0.000 -0.000 3/35574 110.0 1.930 1.799 3.502 0.000 0.000 -0.000 3/35574 120.0 1.756 1.638 3.192 0.000 0.000 -0.000 3/35574 130.0 1.613 1.505 2.935 0.000 0.000 -0.000 3/35574 140.0 1.493 1.394 2.718 0.000 0.000 -0.000 3/35574 150.0 1.390 1.298 2.533 0.000 0.000 -0.000 3/35574 160.0 1.301 1.215 2.373 0.000 0.000 -0.000 3/35574 170.0 1.224 1.143 2.232 0.000 0.000 -0.000 3/35574 180.0 1.156 1.080 2.109 0.000 0.000 -0.000 3/35574 190.0 1.097 1.024 1.999 0.000 0.000 -0.000 3/35574 200.0 1.044 0.974 1.900 0.000 0.000 -0.000 3/35574 210.0 0.997 0.929 1.812 0.000 0.000 -0.000 3/35574 220.0 0.954 0.889 1.731 0.000 0.000 -0.000 3/35574 230.0 0.916 0.852 1.659 0.000 0.000 -0.000 3/35574 240.0 0.882 0.819 1.592 0.000 0.000 -0.000 3/35574 250.0 0.851 0.789 1.531 0.000 0.000 -0.000 3/35574 260.0 0.822 0.761 1.475 0.000 0.000 -0.000 3/35574 270.0 0.796 0.736 1.423 0.000 0.000 -0.000 3/35574 280.0 0.773 0.713 1.375 0.000 0.000 -0.000 3/35574 290.0 0.751 0.691 1.330 0.000 0.000 -0.000 3/35574 300.0 0.731 0.671 1.288 0.000 0.000 -0.000 3/35574 310.0 0.712 0.652 1.249 0.000 0.000 -0.000 3/35574 320.0 0.695 0.635 1.213 0.000 0.000 -0.000 3/35574 330.0 0.678 0.619 1.179 0.000 0.000 -0.000 3/35574 340.0 0.663 0.604 1.147 0.000 0.000 -0.000 3/35574 350.0 0.649 0.589 1.116 0.000 0.000 -0.000 3/35574 360.0 0.636 0.576 1.088 0.000 0.000 -0.000 3/35574 370.0 0.623 0.563 1.061 0.000 0.000 -0.000 3/35574 380.0 0.611 0.551 1.035 0.000 0.000 -0.000 3/35574 390.0 0.600 0.539 1.011 0.000 0.000 -0.000 3/35574 400.0 0.589 0.529 0.987 0.000 0.000 -0.000 3/35574 410.0 0.579 0.518 0.965 0.000 0.000 -0.000 3/35574 420.0 0.569 0.508 0.944 0.000 0.000 -0.000 3/35574 430.0 0.559 0.499 0.924 0.000 0.000 -0.000 3/35574 440.0 0.550 0.490 0.905 0.000 0.000 -0.000 3/35574 450.0 0.542 0.481 0.886 0.000 0.000 -0.000 3/35574 460.0 0.533 0.472 0.869 0.000 0.000 -0.000 3/35574 470.0 0.525 0.464 0.852 0.000 0.000 -0.000 3/35574 480.0 0.517 0.457 0.836 0.000 0.000 -0.000 3/35574 490.0 0.510 0.449 0.820 0.000 0.000 -0.000 3/35574 500.0 0.502 0.442 0.805 0.000 0.000 -0.000 3/35574 510.0 0.495 0.435 0.790 0.000 0.000 -0.000 3/35574 520.0 0.488 0.428 0.776 0.000 0.000 -0.000 3/35574 530.0 0.482 0.422 0.763 0.000 0.000 -0.000 3/35574 540.0 0.475 0.415 0.750 0.000 0.000 -0.000 3/35574 550.0 0.469 0.409 0.737 0.000 0.000 -0.000 3/35574 560.0 0.463 0.403 0.725 0.000 0.000 -0.000 3/35574 570.0 0.457 0.398 0.714 0.000 0.000 -0.000 3/35574 580.0 0.451 0.392 0.702 0.000 0.000 -0.000 3/35574 590.0 0.445 0.386 0.691 0.000 0.000 -0.000 3/35574 600.0 0.440 0.381 0.681 0.000 0.000 -0.000 3/35574 610.0 0.435 0.376 0.670 0.000 0.000 -0.000 3/35574 620.0 0.429 0.371 0.660 0.000 0.000 -0.000 3/35574 630.0 0.424 0.366 0.651 0.000 0.000 -0.000 3/35574 640.0 0.419 0.361 0.641 0.000 0.000 -0.000 3/35574 650.0 0.414 0.357 0.632 0.000 0.000 -0.000 3/35574 660.0 0.409 0.352 0.623 0.000 0.000 -0.000 3/35574 670.0 0.405 0.348 0.614 0.000 0.000 -0.000 3/35574 680.0 0.400 0.344 0.606 0.000 0.000 -0.000 3/35574 690.0 0.396 0.339 0.598 0.000 0.000 -0.000 3/35574 700.0 0.391 0.335 0.590 0.000 0.000 -0.000 3/35574 710.0 0.387 0.331 0.582 0.000 0.000 -0.000 3/35574 720.0 0.383 0.327 0.575 0.000 0.000 -0.000 3/35574 730.0 0.379 0.324 0.567 0.000 0.000 -0.000 3/35574 740.0 0.375 0.320 0.560 0.000 0.000 -0.000 3/35574 750.0 0.371 0.316 0.553 0.000 0.000 -0.000 3/35574 760.0 0.367 0.313 0.546 0.000 0.000 -0.000 3/35574 770.0 0.363 0.309 0.540 0.000 0.000 -0.000 3/35574 780.0 0.359 0.306 0.533 0.000 0.000 -0.000 3/35574 790.0 0.356 0.302 0.527 0.000 0.000 -0.000 3/35574 800.0 0.352 0.299 0.520 0.000 0.000 -0.000 3/35574 810.0 0.348 0.296 0.514 0.000 0.000 -0.000 3/35574 820.0 0.345 0.293 0.509 0.000 0.000 -0.000 3/35574 830.0 0.342 0.290 0.503 0.000 0.000 -0.000 3/35574 840.0 0.338 0.287 0.497 0.000 0.000 -0.000 3/35574 850.0 0.335 0.284 0.492 0.000 0.000 -0.000 3/35574 860.0 0.332 0.281 0.486 0.000 0.000 -0.000 3/35574 870.0 0.329 0.278 0.481 0.000 0.000 -0.000 3/35574 880.0 0.326 0.275 0.476 0.000 0.000 -0.000 3/35574 890.0 0.323 0.273 0.471 0.000 0.000 -0.000 3/35574 900.0 0.320 0.270 0.466 0.000 0.000 -0.000 3/35574 910.0 0.317 0.267 0.461 0.000 0.000 -0.000 3/35574 920.0 0.314 0.265 0.456 0.000 0.000 -0.000 3/35574 930.0 0.311 0.262 0.451 0.000 0.000 -0.000 3/35574 940.0 0.308 0.260 0.447 0.000 0.000 -0.000 3/35574 950.0 0.305 0.257 0.442 0.000 0.000 -0.000 3/35574 960.0 0.303 0.255 0.438 0.000 0.000 -0.000 3/35574 970.0 0.300 0.252 0.434 0.000 0.000 -0.000 3/35574 980.0 0.297 0.250 0.429 0.000 0.000 -0.000 3/35574 990.0 0.295 0.248 0.425 0.000 0.000 -0.000 3/35574 1000.0 0.292 0.246 0.421 0.000 0.000 -0.000 3/35574 Thermal conductivity related properties were written into "kappa-m11117.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:25:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|