----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:19:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmme (67) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.857916105000000 -6.213939090000000 0.000000000000000 b 2.857916105000000 6.213939090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.747210600000000 Atomic positions (fractional): *1 O 0.25000000000000 0.25000000000000 0.00000000000000 15.999 2 O 0.75000000000000 0.75000000000000 0.00000000000000 15.999 *3 F 0.75000000000000 0.75000000000000 0.50000000000000 18.998 4 F 0.25000000000000 0.25000000000000 0.50000000000000 18.998 *5 Cl 0.75000000000000 0.25000000000000 0.21459961309138 35.453 6 Cl 0.25000000000000 0.75000000000000 0.78540038690862 35.453 *7 Pb 0.60477450907351 0.39522549092649 0.77902938687231 207.200 8 Pb 0.39522549092649 0.60477450907351 0.22097061312769 207.200 9 Pb 0.89522549092649 0.10477450907351 0.77902938687231 207.200 10 Pb 0.10477450907351 0.89522549092649 0.22097061312769 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.715832209999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.427878180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.747210600000000 Atomic positions (fractional): *1 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 1 2 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 2 3 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 1 4 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 2 *5 F 0.75000000000000 0.00000000000000 0.50000000000000 18.998 > 3 6 F 0.25000000000000 0.00000000000000 0.50000000000000 18.998 > 4 7 F 0.25000000000000 0.50000000000000 0.50000000000000 18.998 > 3 8 F 0.75000000000000 0.50000000000000 0.50000000000000 18.998 > 4 *9 Cl 0.50000000000000 0.75000000000000 0.21459961309138 35.453 > 5 10 Cl 0.00000000000000 0.75000000000000 0.78540038690862 35.453 > 6 11 Cl 0.00000000000000 0.25000000000000 0.21459961309138 35.453 > 5 12 Cl 0.50000000000000 0.25000000000000 0.78540038690862 35.453 > 6 *13 Pb 0.50000000000000 0.89522549092649 0.77902938687231 207.200 > 7 14 Pb 0.00000000000000 0.60477450907351 0.22097061312769 207.200 > 8 15 Pb 0.50000000000000 0.60477450907351 0.77902938687231 207.200 > 9 16 Pb 0.00000000000000 0.89522549092649 0.22097061312769 207.200 > 10 17 Pb 0.00000000000000 0.39522549092649 0.77902938687231 207.200 > 7 18 Pb 0.50000000000000 0.10477450907351 0.22097061312769 207.200 > 8 19 Pb 0.00000000000000 0.10477450907351 0.77902938687231 207.200 > 9 20 Pb 0.50000000000000 0.39522549092649 0.22097061312769 207.200 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.147496629999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.427878180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.494421200000000 Atomic positions (fractional): *1 O 0.08333333333333 0.00000000000000 0.00000000000000 15.999 > 1 2 O 0.41666666666667 0.00000000000000 0.00000000000000 15.999 > 1 3 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 1 4 O 0.08333333333333 0.00000000000000 0.50000000000000 15.999 > 1 5 O 0.41666666666667 0.00000000000000 0.50000000000000 15.999 > 1 6 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 1 7 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 2 8 O 0.58333333333333 0.00000000000000 0.00000000000000 15.999 > 2 9 O 0.91666666666667 0.00000000000000 0.00000000000000 15.999 > 2 10 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 2 11 O 0.58333333333333 0.00000000000000 0.50000000000000 15.999 > 2 12 O 0.91666666666667 0.00000000000000 0.50000000000000 15.999 > 2 13 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 1 14 O 0.58333333333333 0.50000000000000 0.00000000000000 15.999 > 1 15 O 0.91666666666667 0.50000000000000 0.00000000000000 15.999 > 1 16 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 1 17 O 0.58333333333333 0.50000000000000 0.50000000000000 15.999 > 1 18 O 0.91666666666667 0.50000000000000 0.50000000000000 15.999 > 1 19 O 0.08333333333333 0.50000000000000 0.00000000000000 15.999 > 2 20 O 0.41666666666667 0.50000000000000 0.00000000000000 15.999 > 2 21 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 2 22 O 0.08333333333333 0.50000000000000 0.50000000000000 15.999 > 2 23 O 0.41666666666667 0.50000000000000 0.50000000000000 15.999 > 2 24 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 2 *25 F 0.25000000000000 0.00000000000000 0.25000000000000 18.998 > 3 26 F 0.58333333333333 0.00000000000000 0.25000000000000 18.998 > 3 27 F 0.91666666666667 0.00000000000000 0.25000000000000 18.998 > 3 28 F 0.25000000000000 0.00000000000000 0.75000000000000 18.998 > 3 29 F 0.58333333333333 0.00000000000000 0.75000000000000 18.998 > 3 30 F 0.91666666666667 0.00000000000000 0.75000000000000 18.998 > 3 31 F 0.08333333333333 0.00000000000000 0.25000000000000 18.998 > 4 32 F 0.41666666666667 0.00000000000000 0.25000000000000 18.998 > 4 33 F 0.75000000000000 0.00000000000000 0.25000000000000 18.998 > 4 34 F 0.08333333333333 0.00000000000000 0.75000000000000 18.998 > 4 35 F 0.41666666666667 0.00000000000000 0.75000000000000 18.998 > 4 36 F 0.75000000000000 0.00000000000000 0.75000000000000 18.998 > 4 37 F 0.08333333333333 0.50000000000000 0.25000000000000 18.998 > 3 38 F 0.41666666666667 0.50000000000000 0.25000000000000 18.998 > 3 39 F 0.75000000000000 0.50000000000000 0.25000000000000 18.998 > 3 40 F 0.08333333333333 0.50000000000000 0.75000000000000 18.998 > 3 41 F 0.41666666666667 0.50000000000000 0.75000000000000 18.998 > 3 42 F 0.75000000000000 0.50000000000000 0.75000000000000 18.998 > 3 43 F 0.25000000000000 0.50000000000000 0.25000000000000 18.998 > 4 44 F 0.58333333333333 0.50000000000000 0.25000000000000 18.998 > 4 45 F 0.91666666666667 0.50000000000000 0.25000000000000 18.998 > 4 46 F 0.25000000000000 0.50000000000000 0.75000000000000 18.998 > 4 47 F 0.58333333333333 0.50000000000000 0.75000000000000 18.998 > 4 48 F 0.91666666666667 0.50000000000000 0.75000000000000 18.998 > 4 *49 Cl 0.16666666666667 0.75000000000000 0.10729980654569 35.453 > 5 50 Cl 0.50000000000000 0.75000000000000 0.10729980654569 35.453 > 5 51 Cl 0.83333333333333 0.75000000000000 0.10729980654569 35.453 > 5 52 Cl 0.16666666666667 0.75000000000000 0.60729980654569 35.453 > 5 53 Cl 0.50000000000000 0.75000000000000 0.60729980654569 35.453 > 5 54 Cl 0.83333333333333 0.75000000000000 0.60729980654569 35.453 > 5 55 Cl 0.00000000000000 0.75000000000000 0.39270019345431 35.453 > 6 56 Cl 0.33333333333333 0.75000000000000 0.39270019345431 35.453 > 6 57 Cl 0.66666666666667 0.75000000000000 0.39270019345431 35.453 > 6 58 Cl 0.00000000000000 0.75000000000000 0.89270019345431 35.453 > 6 59 Cl 0.33333333333333 0.75000000000000 0.89270019345431 35.453 > 6 60 Cl 0.66666666666667 0.75000000000000 0.89270019345431 35.453 > 6 61 Cl 0.00000000000000 0.25000000000000 0.10729980654569 35.453 > 5 62 Cl 0.33333333333333 0.25000000000000 0.10729980654569 35.453 > 5 63 Cl 0.66666666666667 0.25000000000000 0.10729980654569 35.453 > 5 64 Cl 0.00000000000000 0.25000000000000 0.60729980654569 35.453 > 5 65 Cl 0.33333333333333 0.25000000000000 0.60729980654569 35.453 > 5 66 Cl 0.66666666666667 0.25000000000000 0.60729980654569 35.453 > 5 67 Cl 0.16666666666667 0.25000000000000 0.39270019345431 35.453 > 6 68 Cl 0.50000000000000 0.25000000000000 0.39270019345431 35.453 > 6 69 Cl 0.83333333333333 0.25000000000000 0.39270019345431 35.453 > 6 70 Cl 0.16666666666667 0.25000000000000 0.89270019345431 35.453 > 6 71 Cl 0.50000000000000 0.25000000000000 0.89270019345431 35.453 > 6 72 Cl 0.83333333333333 0.25000000000000 0.89270019345431 35.453 > 6 *73 Pb 0.16666666666667 0.89522549092649 0.38951469343615 207.200 > 7 74 Pb 0.50000000000000 0.89522549092649 0.38951469343615 207.200 > 7 75 Pb 0.83333333333333 0.89522549092649 0.38951469343615 207.200 > 7 76 Pb 0.16666666666667 0.89522549092649 0.88951469343615 207.200 > 7 77 Pb 0.50000000000000 0.89522549092649 0.88951469343615 207.200 > 7 78 Pb 0.83333333333333 0.89522549092649 0.88951469343615 207.200 > 7 79 Pb 0.00000000000000 0.60477450907351 0.11048530656385 207.200 > 8 80 Pb 0.33333333333333 0.60477450907351 0.11048530656385 207.200 > 8 81 Pb 0.66666666666667 0.60477450907351 0.11048530656385 207.200 > 8 82 Pb 0.00000000000000 0.60477450907351 0.61048530656385 207.200 > 8 83 Pb 0.33333333333333 0.60477450907351 0.61048530656385 207.200 > 8 84 Pb 0.66666666666667 0.60477450907351 0.61048530656385 207.200 > 8 85 Pb 0.16666666666667 0.60477450907351 0.38951469343615 207.200 > 9 86 Pb 0.50000000000000 0.60477450907351 0.38951469343615 207.200 > 9 87 Pb 0.83333333333333 0.60477450907351 0.38951469343615 207.200 > 9 88 Pb 0.16666666666667 0.60477450907351 0.88951469343615 207.200 > 9 89 Pb 0.50000000000000 0.60477450907351 0.88951469343615 207.200 > 9 90 Pb 0.83333333333333 0.60477450907351 0.88951469343615 207.200 > 9 91 Pb 0.00000000000000 0.89522549092649 0.11048530656385 207.200 > 10 92 Pb 0.33333333333333 0.89522549092649 0.11048530656385 207.200 > 10 93 Pb 0.66666666666667 0.89522549092649 0.11048530656385 207.200 > 10 94 Pb 0.00000000000000 0.89522549092649 0.61048530656385 207.200 > 10 95 Pb 0.33333333333333 0.89522549092649 0.61048530656385 207.200 > 10 96 Pb 0.66666666666667 0.89522549092649 0.61048530656385 207.200 > 10 97 Pb 0.00000000000000 0.39522549092649 0.38951469343615 207.200 > 7 98 Pb 0.33333333333333 0.39522549092649 0.38951469343615 207.200 > 7 99 Pb 0.66666666666667 0.39522549092649 0.38951469343615 207.200 > 7 100 Pb 0.00000000000000 0.39522549092649 0.88951469343615 207.200 > 7 101 Pb 0.33333333333333 0.39522549092649 0.88951469343615 207.200 > 7 102 Pb 0.66666666666667 0.39522549092649 0.88951469343615 207.200 > 7 103 Pb 0.16666666666667 0.10477450907351 0.11048530656385 207.200 > 8 104 Pb 0.50000000000000 0.10477450907351 0.11048530656385 207.200 > 8 105 Pb 0.83333333333333 0.10477450907351 0.11048530656385 207.200 > 8 106 Pb 0.16666666666667 0.10477450907351 0.61048530656385 207.200 > 8 107 Pb 0.50000000000000 0.10477450907351 0.61048530656385 207.200 > 8 108 Pb 0.83333333333333 0.10477450907351 0.61048530656385 207.200 > 8 109 Pb 0.00000000000000 0.10477450907351 0.38951469343615 207.200 > 9 110 Pb 0.33333333333333 0.10477450907351 0.38951469343615 207.200 > 9 111 Pb 0.66666666666667 0.10477450907351 0.38951469343615 207.200 > 9 112 Pb 0.00000000000000 0.10477450907351 0.88951469343615 207.200 > 9 113 Pb 0.33333333333333 0.10477450907351 0.88951469343615 207.200 > 9 114 Pb 0.66666666666667 0.10477450907351 0.88951469343615 207.200 > 9 115 Pb 0.16666666666667 0.39522549092649 0.11048530656385 207.200 > 10 116 Pb 0.50000000000000 0.39522549092649 0.11048530656385 207.200 > 10 117 Pb 0.83333333333333 0.39522549092649 0.11048530656385 207.200 > 10 118 Pb 0.16666666666667 0.39522549092649 0.61048530656385 207.200 > 10 119 Pb 0.50000000000000 0.39522549092649 0.61048530656385 207.200 > 10 120 Pb 0.83333333333333 0.39522549092649 0.61048530656385 207.200 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1428720 0.0000000 0.0000000 0.0000000 5.1059309 0.0000000 0.0000000 0.0000000 4.6230198 -------------------------- Born effective charges -------------------------- 1 O -3.2152118 0.0000000 0.0000000 0.0000000 -2.7111436 0.0000000 0.0000000 0.0000000 -1.9103768 2 O -3.2152118 0.0000000 0.0000000 0.0000000 -2.7111436 0.0000000 0.0000000 0.0000000 -1.9103768 3 F -1.6185218 0.0000000 0.0000000 0.0000000 -1.5047953 0.0000000 0.0000000 0.0000000 -2.3901254 4 F -1.6185218 0.0000000 0.0000000 0.0000000 -1.5047953 0.0000000 0.0000000 0.0000000 -2.3901254 5 Cl -1.8700200 0.0000000 0.0000000 0.0000000 -1.7505666 0.0000000 0.0000000 0.0000000 -1.7255134 6 Cl -1.8700200 0.0000000 0.0000000 0.0000000 -1.7505666 0.0000000 0.0000000 0.0000000 -1.7255134 7 Pb 3.3518768 0.0000000 0.0000000 0.0000000 2.9832527 0.2303773 0.0000000 -0.1197607 3.0130078 8 Pb 3.3518768 0.0000000 0.0000000 0.0000000 2.9832527 0.2303773 0.0000000 -0.1197607 3.0130078 9 Pb 3.3518768 0.0000000 0.0000000 0.0000000 2.9832527 -0.2303773 0.0000000 0.1197607 3.0130078 10 Pb 3.3518768 0.0000000 0.0000000 0.0000000 2.9832527 -0.2303773 0.0000000 0.1197607 3.0130078 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 6366/6366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 820 Number of blocks in projector: 820 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: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 120 Use standard eigh solver. Tree of FC basis block matrices: - (820, 806), data: False |-- (120, 120), data: True |-- (120, 120), data: True |-- (140, 136), data: True |-- (140, 136), data: True |-- (140, 136), data: True |-- (160, 158), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 160 - Time: 0.817 Solver_block: 160 / 160 - Time: 0.528 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.361 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 6366/6366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 820 Number of blocks in projector: 820 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: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 120 Use standard eigh solver. Tree of FC basis block matrices: - (820, 806), data: False |-- (120, 120), data: True |-- (120, 120), data: True |-- (140, 136), data: True |-- (140, 136), data: True |-- (140, 136), data: True |-- (160, 158), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:19:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:19:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmme (67) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.857916105000000 -6.213939090000000 0.000000000000000 b 2.857916105000000 6.213939090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.747210600000000 Atomic positions (fractional): 1 O 0.25000000000000 0.25000000000000 0.00000000000000 15.999 2 O 0.75000000000000 0.75000000000000 0.00000000000000 15.999 3 F 0.75000000000000 0.75000000000000 0.50000000000000 18.998 4 F 0.25000000000000 0.25000000000000 0.50000000000000 18.998 5 Cl 0.75000000000000 0.25000000000000 0.21459961309138 35.453 6 Cl 0.25000000000000 0.75000000000000 0.78540038690862 35.453 7 Pb 0.60477450907351 0.39522549092649 0.77902938687231 207.200 8 Pb 0.39522549092649 0.60477450907351 0.22097061312769 207.200 9 Pb 0.89522549092649 0.10477450907351 0.77902938687231 207.200 10 Pb 0.10477450907351 0.89522549092649 0.22097061312769 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.147496629999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.427878180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.494421200000000 Atomic positions (fractional): 1 O 0.08333333333333 0.00000000000000 0.00000000000000 15.999 > 1 2 O 0.41666666666667 0.00000000000000 0.00000000000000 15.999 > 1 3 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 1 4 O 0.08333333333333 0.00000000000000 0.50000000000000 15.999 > 1 5 O 0.41666666666667 0.00000000000000 0.50000000000000 15.999 > 1 6 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 1 7 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 7 8 O 0.58333333333333 0.00000000000000 0.00000000000000 15.999 > 7 9 O 0.91666666666667 0.00000000000000 0.00000000000000 15.999 > 7 10 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 7 11 O 0.58333333333333 0.00000000000000 0.50000000000000 15.999 > 7 12 O 0.91666666666667 0.00000000000000 0.50000000000000 15.999 > 7 13 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 1 14 O 0.58333333333333 0.50000000000000 0.00000000000000 15.999 > 1 15 O 0.91666666666667 0.50000000000000 0.00000000000000 15.999 > 1 16 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 1 17 O 0.58333333333333 0.50000000000000 0.50000000000000 15.999 > 1 18 O 0.91666666666667 0.50000000000000 0.50000000000000 15.999 > 1 19 O 0.08333333333333 0.50000000000000 0.00000000000000 15.999 > 7 20 O 0.41666666666667 0.50000000000000 0.00000000000000 15.999 > 7 21 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 7 22 O 0.08333333333333 0.50000000000000 0.50000000000000 15.999 > 7 23 O 0.41666666666667 0.50000000000000 0.50000000000000 15.999 > 7 24 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 7 25 F 0.25000000000000 0.00000000000000 0.25000000000000 18.998 > 25 26 F 0.58333333333333 0.00000000000000 0.25000000000000 18.998 > 25 27 F 0.91666666666667 0.00000000000000 0.25000000000000 18.998 > 25 28 F 0.25000000000000 0.00000000000000 0.75000000000000 18.998 > 25 29 F 0.58333333333333 0.00000000000000 0.75000000000000 18.998 > 25 30 F 0.91666666666667 0.00000000000000 0.75000000000000 18.998 > 25 31 F 0.08333333333333 0.00000000000000 0.25000000000000 18.998 > 31 32 F 0.41666666666667 0.00000000000000 0.25000000000000 18.998 > 31 33 F 0.75000000000000 0.00000000000000 0.25000000000000 18.998 > 31 34 F 0.08333333333333 0.00000000000000 0.75000000000000 18.998 > 31 35 F 0.41666666666667 0.00000000000000 0.75000000000000 18.998 > 31 36 F 0.75000000000000 0.00000000000000 0.75000000000000 18.998 > 31 37 F 0.08333333333333 0.50000000000000 0.25000000000000 18.998 > 25 38 F 0.41666666666667 0.50000000000000 0.25000000000000 18.998 > 25 39 F 0.75000000000000 0.50000000000000 0.25000000000000 18.998 > 25 40 F 0.08333333333333 0.50000000000000 0.75000000000000 18.998 > 25 41 F 0.41666666666667 0.50000000000000 0.75000000000000 18.998 > 25 42 F 0.75000000000000 0.50000000000000 0.75000000000000 18.998 > 25 43 F 0.25000000000000 0.50000000000000 0.25000000000000 18.998 > 31 44 F 0.58333333333333 0.50000000000000 0.25000000000000 18.998 > 31 45 F 0.91666666666667 0.50000000000000 0.25000000000000 18.998 > 31 46 F 0.25000000000000 0.50000000000000 0.75000000000000 18.998 > 31 47 F 0.58333333333333 0.50000000000000 0.75000000000000 18.998 > 31 48 F 0.91666666666667 0.50000000000000 0.75000000000000 18.998 > 31 49 Cl 0.16666666666667 0.75000000000000 0.10729980654569 35.453 > 49 50 Cl 0.50000000000000 0.75000000000000 0.10729980654569 35.453 > 49 51 Cl 0.83333333333333 0.75000000000000 0.10729980654569 35.453 > 49 52 Cl 0.16666666666667 0.75000000000000 0.60729980654569 35.453 > 49 53 Cl 0.50000000000000 0.75000000000000 0.60729980654569 35.453 > 49 54 Cl 0.83333333333333 0.75000000000000 0.60729980654569 35.453 > 49 55 Cl 0.00000000000000 0.75000000000000 0.39270019345431 35.453 > 55 56 Cl 0.33333333333333 0.75000000000000 0.39270019345431 35.453 > 55 57 Cl 0.66666666666667 0.75000000000000 0.39270019345431 35.453 > 55 58 Cl 0.00000000000000 0.75000000000000 0.89270019345431 35.453 > 55 59 Cl 0.33333333333333 0.75000000000000 0.89270019345431 35.453 > 55 60 Cl 0.66666666666667 0.75000000000000 0.89270019345431 35.453 > 55 61 Cl 0.00000000000000 0.25000000000000 0.10729980654569 35.453 > 49 62 Cl 0.33333333333333 0.25000000000000 0.10729980654569 35.453 > 49 63 Cl 0.66666666666667 0.25000000000000 0.10729980654569 35.453 > 49 64 Cl 0.00000000000000 0.25000000000000 0.60729980654569 35.453 > 49 65 Cl 0.33333333333333 0.25000000000000 0.60729980654569 35.453 > 49 66 Cl 0.66666666666667 0.25000000000000 0.60729980654569 35.453 > 49 67 Cl 0.16666666666667 0.25000000000000 0.39270019345431 35.453 > 55 68 Cl 0.50000000000000 0.25000000000000 0.39270019345431 35.453 > 55 69 Cl 0.83333333333333 0.25000000000000 0.39270019345431 35.453 > 55 70 Cl 0.16666666666667 0.25000000000000 0.89270019345431 35.453 > 55 71 Cl 0.50000000000000 0.25000000000000 0.89270019345431 35.453 > 55 72 Cl 0.83333333333333 0.25000000000000 0.89270019345431 35.453 > 55 73 Pb 0.16666666666667 0.89522549092649 0.38951469343615 207.200 > 73 74 Pb 0.50000000000000 0.89522549092649 0.38951469343615 207.200 > 73 75 Pb 0.83333333333333 0.89522549092649 0.38951469343615 207.200 > 73 76 Pb 0.16666666666667 0.89522549092649 0.88951469343615 207.200 > 73 77 Pb 0.50000000000000 0.89522549092649 0.88951469343615 207.200 > 73 78 Pb 0.83333333333333 0.89522549092649 0.88951469343615 207.200 > 73 79 Pb 0.00000000000000 0.60477450907351 0.11048530656385 207.200 > 79 80 Pb 0.33333333333333 0.60477450907351 0.11048530656385 207.200 > 79 81 Pb 0.66666666666667 0.60477450907351 0.11048530656385 207.200 > 79 82 Pb 0.00000000000000 0.60477450907351 0.61048530656385 207.200 > 79 83 Pb 0.33333333333333 0.60477450907351 0.61048530656385 207.200 > 79 84 Pb 0.66666666666667 0.60477450907351 0.61048530656385 207.200 > 79 85 Pb 0.16666666666667 0.60477450907351 0.38951469343615 207.200 > 85 86 Pb 0.50000000000000 0.60477450907351 0.38951469343615 207.200 > 85 87 Pb 0.83333333333333 0.60477450907351 0.38951469343615 207.200 > 85 88 Pb 0.16666666666667 0.60477450907351 0.88951469343615 207.200 > 85 89 Pb 0.50000000000000 0.60477450907351 0.88951469343615 207.200 > 85 90 Pb 0.83333333333333 0.60477450907351 0.88951469343615 207.200 > 85 91 Pb 0.00000000000000 0.89522549092649 0.11048530656385 207.200 > 91 92 Pb 0.33333333333333 0.89522549092649 0.11048530656385 207.200 > 91 93 Pb 0.66666666666667 0.89522549092649 0.11048530656385 207.200 > 91 94 Pb 0.00000000000000 0.89522549092649 0.61048530656385 207.200 > 91 95 Pb 0.33333333333333 0.89522549092649 0.61048530656385 207.200 > 91 96 Pb 0.66666666666667 0.89522549092649 0.61048530656385 207.200 > 91 97 Pb 0.00000000000000 0.39522549092649 0.38951469343615 207.200 > 73 98 Pb 0.33333333333333 0.39522549092649 0.38951469343615 207.200 > 73 99 Pb 0.66666666666667 0.39522549092649 0.38951469343615 207.200 > 73 100 Pb 0.00000000000000 0.39522549092649 0.88951469343615 207.200 > 73 101 Pb 0.33333333333333 0.39522549092649 0.88951469343615 207.200 > 73 102 Pb 0.66666666666667 0.39522549092649 0.88951469343615 207.200 > 73 103 Pb 0.16666666666667 0.10477450907351 0.11048530656385 207.200 > 79 104 Pb 0.50000000000000 0.10477450907351 0.11048530656385 207.200 > 79 105 Pb 0.83333333333333 0.10477450907351 0.11048530656385 207.200 > 79 106 Pb 0.16666666666667 0.10477450907351 0.61048530656385 207.200 > 79 107 Pb 0.50000000000000 0.10477450907351 0.61048530656385 207.200 > 79 108 Pb 0.83333333333333 0.10477450907351 0.61048530656385 207.200 > 79 109 Pb 0.00000000000000 0.10477450907351 0.38951469343615 207.200 > 85 110 Pb 0.33333333333333 0.10477450907351 0.38951469343615 207.200 > 85 111 Pb 0.66666666666667 0.10477450907351 0.38951469343615 207.200 > 85 112 Pb 0.00000000000000 0.10477450907351 0.88951469343615 207.200 > 85 113 Pb 0.33333333333333 0.10477450907351 0.88951469343615 207.200 > 85 114 Pb 0.66666666666667 0.10477450907351 0.88951469343615 207.200 > 85 115 Pb 0.16666666666667 0.39522549092649 0.11048530656385 207.200 > 91 116 Pb 0.50000000000000 0.39522549092649 0.11048530656385 207.200 > 91 117 Pb 0.83333333333333 0.39522549092649 0.11048530656385 207.200 > 91 118 Pb 0.16666666666667 0.39522549092649 0.61048530656385 207.200 > 91 119 Pb 0.50000000000000 0.39522549092649 0.61048530656385 207.200 > 91 120 Pb 0.83333333333333 0.39522549092649 0.61048530656385 207.200 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1428720 0.0000000 0.0000000 0.0000000 5.1059309 0.0000000 0.0000000 0.0000000 4.6230198 -------------------------- Born effective charges -------------------------- 1 O -3.2152118 0.0000000 0.0000000 0.0000000 -2.7111436 0.0000000 0.0000000 0.0000000 -1.9103768 2 O -3.2152118 0.0000000 0.0000000 0.0000000 -2.7111436 0.0000000 0.0000000 0.0000000 -1.9103768 3 F -1.6185218 0.0000000 0.0000000 0.0000000 -1.5047953 0.0000000 0.0000000 0.0000000 -2.3901254 4 F -1.6185218 0.0000000 0.0000000 0.0000000 -1.5047953 0.0000000 0.0000000 0.0000000 -2.3901254 5 Cl -1.8700200 0.0000000 0.0000000 0.0000000 -1.7505666 0.0000000 0.0000000 0.0000000 -1.7255134 6 Cl -1.8700200 0.0000000 0.0000000 0.0000000 -1.7505666 0.0000000 0.0000000 0.0000000 -1.7255134 7 Pb 3.3518768 0.0000000 0.0000000 0.0000000 2.9832527 0.2303773 0.0000000 -0.1197607 3.0130078 8 Pb 3.3518768 0.0000000 0.0000000 0.0000000 2.9832527 0.2303773 0.0000000 -0.1197607 3.0130078 9 Pb 3.3518768 0.0000000 0.0000000 0.0000000 2.9832527 -0.2303773 0.0000000 0.1197607 3.0130078 10 Pb 3.3518768 0.0000000 0.0000000 0.0000000 2.9832527 -0.2303773 0.0000000 0.1197607 3.0130078 ---------------------------------------------------------------------------- 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[ 25, 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:19:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:19:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmme (67) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.857916105000000 -6.213939090000000 0.000000000000000 b 2.857916105000000 6.213939090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.747210600000000 Atomic positions (fractional): 1 O 0.25000000000000 0.25000000000000 0.00000000000000 15.999 2 O 0.75000000000000 0.75000000000000 0.00000000000000 15.999 3 F 0.75000000000000 0.75000000000000 0.50000000000000 18.998 4 F 0.25000000000000 0.25000000000000 0.50000000000000 18.998 5 Cl 0.75000000000000 0.25000000000000 0.21459961309138 35.453 6 Cl 0.25000000000000 0.75000000000000 0.78540038690862 35.453 7 Pb 0.60477450907351 0.39522549092649 0.77902938687231 207.200 8 Pb 0.39522549092649 0.60477450907351 0.22097061312769 207.200 9 Pb 0.89522549092649 0.10477450907351 0.77902938687231 207.200 10 Pb 0.10477450907351 0.89522549092649 0.22097061312769 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.147496629999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.427878180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.494421200000000 Atomic positions (fractional): 1 O 0.08333333333333 0.00000000000000 0.00000000000000 15.999 > 1 2 O 0.41666666666667 0.00000000000000 0.00000000000000 15.999 > 1 3 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 1 4 O 0.08333333333333 0.00000000000000 0.50000000000000 15.999 > 1 5 O 0.41666666666667 0.00000000000000 0.50000000000000 15.999 > 1 6 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 1 7 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 7 8 O 0.58333333333333 0.00000000000000 0.00000000000000 15.999 > 7 9 O 0.91666666666667 0.00000000000000 0.00000000000000 15.999 > 7 10 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 7 11 O 0.58333333333333 0.00000000000000 0.50000000000000 15.999 > 7 12 O 0.91666666666667 0.00000000000000 0.50000000000000 15.999 > 7 13 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 1 14 O 0.58333333333333 0.50000000000000 0.00000000000000 15.999 > 1 15 O 0.91666666666667 0.50000000000000 0.00000000000000 15.999 > 1 16 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 1 17 O 0.58333333333333 0.50000000000000 0.50000000000000 15.999 > 1 18 O 0.91666666666667 0.50000000000000 0.50000000000000 15.999 > 1 19 O 0.08333333333333 0.50000000000000 0.00000000000000 15.999 > 7 20 O 0.41666666666667 0.50000000000000 0.00000000000000 15.999 > 7 21 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 7 22 O 0.08333333333333 0.50000000000000 0.50000000000000 15.999 > 7 23 O 0.41666666666667 0.50000000000000 0.50000000000000 15.999 > 7 24 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 7 25 F 0.25000000000000 0.00000000000000 0.25000000000000 18.998 > 25 26 F 0.58333333333333 0.00000000000000 0.25000000000000 18.998 > 25 27 F 0.91666666666667 0.00000000000000 0.25000000000000 18.998 > 25 28 F 0.25000000000000 0.00000000000000 0.75000000000000 18.998 > 25 29 F 0.58333333333333 0.00000000000000 0.75000000000000 18.998 > 25 30 F 0.91666666666667 0.00000000000000 0.75000000000000 18.998 > 25 31 F 0.08333333333333 0.00000000000000 0.25000000000000 18.998 > 31 32 F 0.41666666666667 0.00000000000000 0.25000000000000 18.998 > 31 33 F 0.75000000000000 0.00000000000000 0.25000000000000 18.998 > 31 34 F 0.08333333333333 0.00000000000000 0.75000000000000 18.998 > 31 35 F 0.41666666666667 0.00000000000000 0.75000000000000 18.998 > 31 36 F 0.75000000000000 0.00000000000000 0.75000000000000 18.998 > 31 37 F 0.08333333333333 0.50000000000000 0.25000000000000 18.998 > 25 38 F 0.41666666666667 0.50000000000000 0.25000000000000 18.998 > 25 39 F 0.75000000000000 0.50000000000000 0.25000000000000 18.998 > 25 40 F 0.08333333333333 0.50000000000000 0.75000000000000 18.998 > 25 41 F 0.41666666666667 0.50000000000000 0.75000000000000 18.998 > 25 42 F 0.75000000000000 0.50000000000000 0.75000000000000 18.998 > 25 43 F 0.25000000000000 0.50000000000000 0.25000000000000 18.998 > 31 44 F 0.58333333333333 0.50000000000000 0.25000000000000 18.998 > 31 45 F 0.91666666666667 0.50000000000000 0.25000000000000 18.998 > 31 46 F 0.25000000000000 0.50000000000000 0.75000000000000 18.998 > 31 47 F 0.58333333333333 0.50000000000000 0.75000000000000 18.998 > 31 48 F 0.91666666666667 0.50000000000000 0.75000000000000 18.998 > 31 49 Cl 0.16666666666667 0.75000000000000 0.10729980654569 35.453 > 49 50 Cl 0.50000000000000 0.75000000000000 0.10729980654569 35.453 > 49 51 Cl 0.83333333333333 0.75000000000000 0.10729980654569 35.453 > 49 52 Cl 0.16666666666667 0.75000000000000 0.60729980654569 35.453 > 49 53 Cl 0.50000000000000 0.75000000000000 0.60729980654569 35.453 > 49 54 Cl 0.83333333333333 0.75000000000000 0.60729980654569 35.453 > 49 55 Cl 0.00000000000000 0.75000000000000 0.39270019345431 35.453 > 55 56 Cl 0.33333333333333 0.75000000000000 0.39270019345431 35.453 > 55 57 Cl 0.66666666666667 0.75000000000000 0.39270019345431 35.453 > 55 58 Cl 0.00000000000000 0.75000000000000 0.89270019345431 35.453 > 55 59 Cl 0.33333333333333 0.75000000000000 0.89270019345431 35.453 > 55 60 Cl 0.66666666666667 0.75000000000000 0.89270019345431 35.453 > 55 61 Cl 0.00000000000000 0.25000000000000 0.10729980654569 35.453 > 49 62 Cl 0.33333333333333 0.25000000000000 0.10729980654569 35.453 > 49 63 Cl 0.66666666666667 0.25000000000000 0.10729980654569 35.453 > 49 64 Cl 0.00000000000000 0.25000000000000 0.60729980654569 35.453 > 49 65 Cl 0.33333333333333 0.25000000000000 0.60729980654569 35.453 > 49 66 Cl 0.66666666666667 0.25000000000000 0.60729980654569 35.453 > 49 67 Cl 0.16666666666667 0.25000000000000 0.39270019345431 35.453 > 55 68 Cl 0.50000000000000 0.25000000000000 0.39270019345431 35.453 > 55 69 Cl 0.83333333333333 0.25000000000000 0.39270019345431 35.453 > 55 70 Cl 0.16666666666667 0.25000000000000 0.89270019345431 35.453 > 55 71 Cl 0.50000000000000 0.25000000000000 0.89270019345431 35.453 > 55 72 Cl 0.83333333333333 0.25000000000000 0.89270019345431 35.453 > 55 73 Pb 0.16666666666667 0.89522549092649 0.38951469343615 207.200 > 73 74 Pb 0.50000000000000 0.89522549092649 0.38951469343615 207.200 > 73 75 Pb 0.83333333333333 0.89522549092649 0.38951469343615 207.200 > 73 76 Pb 0.16666666666667 0.89522549092649 0.88951469343615 207.200 > 73 77 Pb 0.50000000000000 0.89522549092649 0.88951469343615 207.200 > 73 78 Pb 0.83333333333333 0.89522549092649 0.88951469343615 207.200 > 73 79 Pb 0.00000000000000 0.60477450907351 0.11048530656385 207.200 > 79 80 Pb 0.33333333333333 0.60477450907351 0.11048530656385 207.200 > 79 81 Pb 0.66666666666667 0.60477450907351 0.11048530656385 207.200 > 79 82 Pb 0.00000000000000 0.60477450907351 0.61048530656385 207.200 > 79 83 Pb 0.33333333333333 0.60477450907351 0.61048530656385 207.200 > 79 84 Pb 0.66666666666667 0.60477450907351 0.61048530656385 207.200 > 79 85 Pb 0.16666666666667 0.60477450907351 0.38951469343615 207.200 > 85 86 Pb 0.50000000000000 0.60477450907351 0.38951469343615 207.200 > 85 87 Pb 0.83333333333333 0.60477450907351 0.38951469343615 207.200 > 85 88 Pb 0.16666666666667 0.60477450907351 0.88951469343615 207.200 > 85 89 Pb 0.50000000000000 0.60477450907351 0.88951469343615 207.200 > 85 90 Pb 0.83333333333333 0.60477450907351 0.88951469343615 207.200 > 85 91 Pb 0.00000000000000 0.89522549092649 0.11048530656385 207.200 > 91 92 Pb 0.33333333333333 0.89522549092649 0.11048530656385 207.200 > 91 93 Pb 0.66666666666667 0.89522549092649 0.11048530656385 207.200 > 91 94 Pb 0.00000000000000 0.89522549092649 0.61048530656385 207.200 > 91 95 Pb 0.33333333333333 0.89522549092649 0.61048530656385 207.200 > 91 96 Pb 0.66666666666667 0.89522549092649 0.61048530656385 207.200 > 91 97 Pb 0.00000000000000 0.39522549092649 0.38951469343615 207.200 > 73 98 Pb 0.33333333333333 0.39522549092649 0.38951469343615 207.200 > 73 99 Pb 0.66666666666667 0.39522549092649 0.38951469343615 207.200 > 73 100 Pb 0.00000000000000 0.39522549092649 0.88951469343615 207.200 > 73 101 Pb 0.33333333333333 0.39522549092649 0.88951469343615 207.200 > 73 102 Pb 0.66666666666667 0.39522549092649 0.88951469343615 207.200 > 73 103 Pb 0.16666666666667 0.10477450907351 0.11048530656385 207.200 > 79 104 Pb 0.50000000000000 0.10477450907351 0.11048530656385 207.200 > 79 105 Pb 0.83333333333333 0.10477450907351 0.11048530656385 207.200 > 79 106 Pb 0.16666666666667 0.10477450907351 0.61048530656385 207.200 > 79 107 Pb 0.50000000000000 0.10477450907351 0.61048530656385 207.200 > 79 108 Pb 0.83333333333333 0.10477450907351 0.61048530656385 207.200 > 79 109 Pb 0.00000000000000 0.10477450907351 0.38951469343615 207.200 > 85 110 Pb 0.33333333333333 0.10477450907351 0.38951469343615 207.200 > 85 111 Pb 0.66666666666667 0.10477450907351 0.38951469343615 207.200 > 85 112 Pb 0.00000000000000 0.10477450907351 0.88951469343615 207.200 > 85 113 Pb 0.33333333333333 0.10477450907351 0.88951469343615 207.200 > 85 114 Pb 0.66666666666667 0.10477450907351 0.88951469343615 207.200 > 85 115 Pb 0.16666666666667 0.39522549092649 0.11048530656385 207.200 > 91 116 Pb 0.50000000000000 0.39522549092649 0.11048530656385 207.200 > 91 117 Pb 0.83333333333333 0.39522549092649 0.11048530656385 207.200 > 91 118 Pb 0.16666666666667 0.39522549092649 0.61048530656385 207.200 > 91 119 Pb 0.50000000000000 0.39522549092649 0.61048530656385 207.200 > 91 120 Pb 0.83333333333333 0.39522549092649 0.61048530656385 207.200 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1428720 0.0000000 0.0000000 0.0000000 5.1059309 0.0000000 0.0000000 0.0000000 4.6230198 -------------------------- Born effective charges -------------------------- 1 O -3.2152118 0.0000000 0.0000000 0.0000000 -2.7111436 0.0000000 0.0000000 0.0000000 -1.9103768 2 O -3.2152118 0.0000000 0.0000000 0.0000000 -2.7111436 0.0000000 0.0000000 0.0000000 -1.9103768 3 F -1.6185218 0.0000000 0.0000000 0.0000000 -1.5047953 0.0000000 0.0000000 0.0000000 -2.3901254 4 F -1.6185218 0.0000000 0.0000000 0.0000000 -1.5047953 0.0000000 0.0000000 0.0000000 -2.3901254 5 Cl -1.8700200 0.0000000 0.0000000 0.0000000 -1.7505666 0.0000000 0.0000000 0.0000000 -1.7255134 6 Cl -1.8700200 0.0000000 0.0000000 0.0000000 -1.7505666 0.0000000 0.0000000 0.0000000 -1.7255134 7 Pb 3.3518768 0.0000000 0.0000000 0.0000000 2.9832527 0.2303773 0.0000000 -0.1197607 3.0130078 8 Pb 3.3518768 0.0000000 0.0000000 0.0000000 2.9832527 0.2303773 0.0000000 -0.1197607 3.0130078 9 Pb 3.3518768 0.0000000 0.0000000 0.0000000 2.9832527 -0.2303773 0.0000000 0.1197607 3.0130078 10 Pb 3.3518768 0.0000000 0.0000000 0.0000000 2.9832527 -0.2303773 0.0000000 0.1197607 3.0130078 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 10 10 9 ] 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: 0.71, Number of G-points: 293, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/155) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.659 ( 0.000 0.000 0.000) 0.000 1.895 ( 0.000 0.000 0.000) 0.000 1.934 ( 0.000 0.000 0.000) 0.000 1.956 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.411 ( 0.000 0.000 0.000) 0.000 2.450 ( 0.000 0.000 0.000) 0.000 2.708 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.252 ( 0.000 0.000 0.000) 0.000 3.328 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.647 ( 0.000 0.000 0.000) 0.000 5.899 ( 0.000 0.000 0.000) 0.000 7.294 ( 0.000 0.000 0.000) 0.000 8.889 ( 0.000 0.000 0.000) 0.000 9.811 ( 0.000 0.000 0.000) 0.000 10.129 ( 0.000 0.000 0.000) 0.000 11.642 ( 0.000 0.000 0.000) 0.000 12.372 ( 0.000 0.000 0.000) 0.000 13.423 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/155) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.232 ( 10.987 -4.886 0.000) 12.025 0.278 ( 7.722 -16.338 0.000) 18.071 0.602 ( 31.873 -2.835 0.000) 31.999 1.712 ( 5.600 -0.498 0.000) 5.623 1.815 ( -6.240 -0.830 0.000) 6.294 1.929 ( -2.939 0.352 0.000) 2.960 2.002 ( 4.019 -0.699 0.000) 4.079 2.390 ( 1.566 -3.954 0.000) 4.252 2.463 ( 0.777 -1.488 0.000) 1.679 2.621 ( -6.370 3.241 0.000) 7.147 3.003 ( -4.397 -1.226 0.000) 4.565 3.105 ( 2.047 -0.106 0.000) 2.049 3.298 ( -2.794 0.937 0.000) 2.947 3.354 ( 7.712 -1.032 0.000) 7.781 3.428 ( -4.813 -9.521 0.000) 10.668 3.789 ( -0.034 -0.262 0.000) 0.264 3.847 ( -4.846 1.876 0.000) 5.197 4.294 ( -2.262 1.222 0.000) 2.571 5.053 ( 16.856 12.789 0.000) 21.159 5.278 ( -4.581 -4.079 0.000) 6.135 5.310 ( 5.816 0.595 0.000) 5.846 5.732 ( 7.607 -1.139 0.000) 7.692 5.881 ( -1.768 0.481 0.000) 1.832 7.259 ( -4.697 -1.241 0.000) 4.858 9.841 ( 3.542 0.431 0.000) 3.568 10.140 ( 2.224 1.493 0.000) 2.679 10.938 ( 56.307 102.934 0.000) 117.328 12.300 ( -5.924 3.969 0.000) 7.131 12.742 ( -32.433 -62.526 0.000) 70.437 13.395 ( -4.837 -3.422 0.000) 5.925 ======================= Grid point 2 (3/155) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 10.961 -4.457 0.000) 11.833 0.527 ( 6.952 -13.821 0.000) 15.471 1.142 ( 27.790 -0.543 0.000) 27.795 1.703 ( -7.371 -0.958 0.000) 7.433 1.813 ( -0.405 2.531 0.000) 2.564 1.883 ( 3.985 -1.754 0.000) 4.354 2.073 ( 2.643 -2.657 0.000) 3.747 2.472 ( 4.362 -2.870 0.000) 5.222 2.483 ( -3.380 3.704 0.000) 5.014 2.507 ( 0.005 -2.957 0.000) 2.957 2.902 ( -8.002 -1.383 0.000) 8.120 3.170 ( 4.978 0.375 0.000) 4.992 3.219 ( -5.408 0.909 0.000) 5.484 3.410 ( -1.281 1.007 0.000) 1.630 3.461 ( 2.746 -1.077 0.000) 2.950 3.728 ( -5.984 2.787 0.000) 6.601 3.798 ( 0.506 -1.225 0.000) 1.326 4.224 ( -4.013 2.116 0.000) 4.536 5.188 ( 1.200 0.574 0.000) 1.330 5.372 ( 18.139 3.790 0.000) 18.530 5.436 ( 8.396 1.252 0.000) 8.489 5.840 ( -1.691 0.841 0.000) 1.889 5.888 ( 8.127 -1.811 0.000) 8.326 7.149 ( -9.501 -2.431 0.000) 9.807 9.919 ( 5.735 1.129 0.000) 5.845 10.188 ( 4.240 0.702 0.000) 4.298 11.142 ( 29.891 35.671 0.000) 46.539 12.131 ( -7.446 6.560 0.000) 9.924 12.651 ( -15.050 -18.997 0.000) 24.236 13.302 ( -10.571 -6.648 0.000) 12.487 ======================= Grid point 3 (4/155) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 10.797 -3.695 0.000) 11.412 0.746 ( 6.717 -11.050 0.000) 12.931 1.548 ( 6.580 1.530 0.000) 6.756 1.595 ( 6.848 -0.382 0.000) 6.859 1.688 ( -6.912 5.111 0.000) 8.596 2.046 ( 8.311 -2.839 0.000) 8.782 2.143 ( 2.057 -4.703 0.000) 5.133 2.391 ( -2.479 3.955 0.000) 4.668 2.561 ( 1.783 -3.097 0.000) 3.574 2.578 ( 5.578 -1.018 0.000) 5.670 2.769 ( -7.925 -2.797 0.000) 8.404 3.095 ( -8.004 0.613 0.000) 8.028 3.253 ( 4.323 0.797 0.000) 4.396 3.362 ( -0.881 6.489 0.000) 6.549 3.471 ( -2.046 -1.602 0.000) 2.599 3.614 ( -4.056 2.556 0.000) 4.794 3.828 ( 1.250 -2.446 0.000) 2.747 4.127 ( -4.674 2.620 0.000) 5.358 5.209 ( 1.079 -2.825 0.000) 3.024 5.526 ( 1.905 2.128 0.000) 2.856 5.705 ( 22.559 5.951 0.000) 23.331 5.847 ( 4.269 0.837 0.000) 4.351 6.029 ( 6.086 -1.881 0.000) 6.370 6.967 ( -14.047 -3.671 0.000) 14.519 10.014 ( 6.206 1.506 0.000) 6.386 10.260 ( 3.450 -0.098 0.000) 3.451 11.383 ( 16.792 7.338 0.000) 18.325 11.964 ( -4.232 8.494 0.000) 9.490 12.546 ( -3.366 2.681 0.000) 4.303 13.131 ( -16.607 -10.158 0.000) 19.468 ======================= Grid point 4 (5/155) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 9.555 -2.313 0.000) 9.831 0.937 ( 5.763 -7.948 0.000) 9.818 1.434 ( -7.765 -1.884 0.000) 7.990 1.515 ( -6.715 6.921 0.000) 9.644 1.871 ( 15.027 3.781 0.000) 15.496 2.144 ( -1.316 -2.156 0.000) 2.526 2.223 ( 2.577 -5.033 0.000) 5.654 2.343 ( -0.370 1.956 0.000) 1.990 2.607 ( 3.298 0.342 0.000) 3.315 2.671 ( 4.770 1.491 0.000) 4.998 2.718 ( -1.872 -6.102 0.000) 6.382 2.933 ( -9.885 0.203 0.000) 9.888 3.280 ( -1.315 -0.380 0.000) 1.369 3.287 ( -0.272 7.894 0.000) 7.899 3.461 ( 0.074 -2.323 0.000) 2.324 3.546 ( -1.872 2.210 0.000) 2.897 3.878 ( 1.868 -3.059 0.000) 3.584 4.027 ( -4.069 2.831 0.000) 4.957 5.274 ( 3.336 -3.458 0.000) 4.805 5.477 ( -3.930 2.832 0.000) 4.844 5.953 ( 7.043 0.795 0.000) 7.088 6.003 ( 11.743 3.014 0.000) 12.123 6.158 ( 11.948 1.767 0.000) 12.077 6.722 ( -17.722 -4.941 0.000) 18.398 10.112 ( 6.137 0.671 0.000) 6.173 10.282 ( -1.268 0.432 0.000) 1.340 11.593 ( 5.954 -9.464 0.000) 11.181 11.846 ( -0.444 11.568 0.000) 11.577 12.529 ( 10.743 16.004 0.000) 19.275 12.898 ( -20.824 -14.582 0.000) 25.421 ======================= Grid point 5 (6/155) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -2.725 -1.648 0.000) 3.185 1.020 ( 2.725 1.648 0.000) 3.185 1.383 ( 0.412 -5.853 0.000) 5.867 1.383 ( -0.412 5.853 0.000) 5.867 2.056 ( -9.436 -2.588 0.000) 9.784 2.056 ( 9.436 2.588 0.000) 9.784 2.303 ( 2.489 -2.741 0.000) 3.702 2.303 ( -2.489 2.741 0.000) 3.702 2.692 ( 1.515 -3.518 0.000) 3.830 2.692 ( -1.515 3.518 0.000) 3.830 2.772 ( -6.034 0.931 0.000) 6.106 2.772 ( 6.034 -0.931 0.000) 6.106 3.253 ( -2.609 -4.744 0.000) 5.414 3.253 ( 2.609 4.744 0.000) 5.414 3.500 ( 1.682 -2.089 0.000) 2.682 3.500 ( -1.682 2.089 0.000) 2.682 3.943 ( 2.808 -3.023 0.000) 4.126 3.943 ( -2.808 3.023 0.000) 4.126 5.373 ( 4.606 -3.326 0.000) 5.682 5.373 ( -4.606 3.326 0.000) 5.682 6.042 ( -3.040 -0.701 0.000) 3.120 6.042 ( 3.040 0.701 0.000) 3.120 6.434 ( -19.810 -5.625 0.000) 20.593 6.434 ( 19.810 5.625 0.000) 20.593 10.215 ( -5.290 0.532 0.000) 5.317 10.215 ( 5.290 -0.532 0.000) 5.317 11.741 ( 0.243 -14.296 0.000) 14.298 11.741 ( -0.243 14.296 0.000) 14.298 12.665 ( -20.036 -18.558 0.000) 27.310 12.665 ( 20.036 18.558 0.000) 27.310 ======================= Grid point 12 (7/155) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 11.190 0.000 0.000) 11.190 0.423 ( 12.083 0.000 0.000) 12.083 1.139 ( 29.295 0.000 0.000) 29.295 1.694 ( -7.268 -0.000 0.000) 7.268 1.843 ( 9.030 0.000 0.000) 9.030 1.860 ( -4.937 -0.000 0.000) 4.937 2.050 ( 2.016 0.000 0.000) 2.016 2.447 ( 5.810 0.000 0.000) 5.810 2.476 ( 1.543 0.000 0.000) 1.543 2.522 ( -5.428 -0.000 0.000) 5.428 2.889 ( -7.973 -0.000 0.000) 7.973 3.173 ( 5.104 0.000 0.000) 5.104 3.223 ( -5.711 -0.000 0.000) 5.711 3.419 ( 1.967 0.000 0.000) 1.967 3.452 ( 2.958 0.000 0.000) 2.958 3.751 ( -6.421 -0.000 0.000) 6.421 3.788 ( 0.161 0.000 0.000) 0.161 4.242 ( -4.077 -0.000 0.000) 4.077 5.189 ( -2.618 -0.000 0.000) 2.618 5.414 ( 20.307 0.000 0.000) 20.307 5.446 ( 8.496 0.000 0.000) 8.496 5.847 ( -1.761 -0.000 0.000) 1.761 5.869 ( 8.003 0.000 0.000) 8.003 7.129 ( -9.594 -0.000 0.000) 9.594 9.928 ( 5.850 0.000 0.000) 5.850 10.192 ( 3.513 0.000 0.000) 3.513 11.557 ( -4.870 -0.000 0.000) 4.870 12.186 ( -7.877 -0.000 0.000) 7.877 12.401 ( 10.507 0.000 0.000) 10.507 13.247 ( -10.762 -0.000 0.000) 10.762 ======================= Grid point 13 (8/155) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 10.363 -4.880 0.000) 11.455 0.641 ( 11.901 -1.595 0.000) 12.007 1.557 ( -7.433 -0.051 0.000) 7.433 1.603 ( 22.613 0.705 0.000) 22.624 1.754 ( -5.933 2.515 0.000) 6.444 2.007 ( 7.988 -1.638 0.000) 8.155 2.085 ( 1.457 -2.031 0.000) 2.500 2.444 ( -2.644 2.160 0.000) 3.413 2.522 ( 3.063 -1.562 0.000) 3.438 2.567 ( 7.263 -0.306 0.000) 7.270 2.735 ( -9.481 -1.260 0.000) 9.564 3.101 ( -8.130 0.215 0.000) 8.133 3.262 ( 4.339 0.295 0.000) 4.349 3.435 ( 0.379 2.397 0.000) 2.427 3.453 ( -2.365 -0.570 0.000) 2.433 3.643 ( -4.774 0.970 0.000) 4.871 3.800 ( 0.929 -0.943 0.000) 1.324 4.158 ( -4.829 1.055 0.000) 4.943 5.176 ( 0.723 -1.095 0.000) 1.312 5.550 ( 2.173 0.816 0.000) 2.321 5.784 ( 22.694 3.238 0.000) 22.924 5.856 ( 4.064 0.320 0.000) 4.077 5.996 ( 5.655 -1.636 0.000) 5.887 6.924 ( -14.448 -1.469 0.000) 14.523 10.031 ( 5.887 0.586 0.000) 5.916 10.259 ( 3.559 -0.090 0.000) 3.560 11.451 ( -2.934 1.731 0.000) 3.406 12.062 ( -3.934 3.257 0.000) 5.107 12.603 ( 11.502 2.794 0.000) 11.837 13.013 ( -17.804 -3.958 0.000) 18.239 ======================= Grid point 14 (9/155) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 9.176 -5.341 0.000) 10.617 0.858 ( 11.102 -1.698 0.000) 11.231 1.412 ( -8.526 -0.889 0.000) 8.572 1.617 ( -5.816 5.223 0.000) 7.817 1.932 ( 15.783 3.637 0.000) 16.196 2.102 ( -0.796 -2.705 0.000) 2.819 2.146 ( 2.970 -4.385 0.000) 5.296 2.389 ( -1.034 3.430 0.000) 3.582 2.612 ( 3.710 0.179 0.000) 3.714 2.621 ( -2.505 -5.552 0.000) 6.091 2.690 ( 6.669 0.896 0.000) 6.729 2.937 ( -10.239 0.290 0.000) 10.243 3.273 ( -3.850 -0.363 0.000) 3.867 3.389 ( -1.959 4.478 0.000) 4.887 3.435 ( 1.008 -0.887 0.000) 1.343 3.579 ( -1.610 1.723 0.000) 2.358 3.837 ( 1.921 -1.930 0.000) 2.723 4.066 ( -4.140 1.824 0.000) 4.524 5.228 ( 3.503 -2.121 0.000) 4.095 5.515 ( -3.660 1.787 0.000) 4.073 5.964 ( 7.054 0.524 0.000) 7.074 6.038 ( 4.074 1.344 0.000) 4.290 6.184 ( 19.382 1.347 0.000) 19.429 6.652 ( -18.534 -3.345 0.000) 18.833 10.122 ( 5.137 0.479 0.000) 5.160 10.290 ( -0.549 0.456 0.000) 0.714 11.439 ( -1.412 -7.998 0.000) 8.122 12.005 ( 1.853 7.481 0.000) 7.707 12.696 ( -23.986 -9.579 0.000) 25.828 12.769 ( 14.817 11.846 0.000) 18.970 ======================= Grid point 15 (10/155) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 2.960 -2.622 0.000) 3.954 1.035 ( 7.392 0.351 0.000) 7.400 1.309 ( -2.797 -3.215 0.000) 4.262 1.487 ( -2.434 6.629 0.000) 7.062 2.012 ( -10.699 -2.877 0.000) 11.079 2.095 ( 6.807 2.270 0.000) 7.175 2.262 ( 5.929 -2.376 0.000) 6.387 2.352 ( -0.520 3.379 0.000) 3.419 2.619 ( -0.264 -5.247 0.000) 5.253 2.731 ( -7.636 1.457 0.000) 7.774 2.762 ( 9.384 -0.345 0.000) 9.390 2.792 ( 1.367 1.416 0.000) 1.968 3.184 ( -6.316 -3.417 0.000) 7.181 3.322 ( -1.507 3.402 0.000) 3.721 3.475 ( 1.883 -0.985 0.000) 2.125 3.542 ( -0.821 2.917 0.000) 3.030 3.897 ( 2.972 -2.479 0.000) 3.871 3.989 ( -2.645 2.499 0.000) 3.639 5.323 ( 4.927 -2.665 0.000) 5.602 5.424 ( -4.215 2.795 0.000) 5.058 6.032 ( -3.421 -0.496 0.000) 3.457 6.055 ( 2.992 0.934 0.000) 3.134 6.341 ( -20.389 -5.463 0.000) 21.108 6.513 ( 19.690 4.023 0.000) 20.096 10.210 ( 5.050 -0.090 0.000) 5.051 10.225 ( -5.891 0.651 0.000) 5.927 11.522 ( 1.173 -12.009 0.000) 12.066 11.953 ( -2.300 11.203 0.000) 11.436 12.383 ( -19.906 -15.311 0.000) 25.113 12.943 ( 17.488 14.878 0.000) 22.961 ======================= Grid point 16 (11/155) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -7.656 1.812 0.000) 7.867 1.062 ( -0.943 7.106 0.000) 7.168 1.408 ( 7.511 -6.059 0.000) 9.650 1.475 ( 5.627 3.295 0.000) 6.521 1.812 ( -14.785 -3.557 0.000) 15.207 2.165 ( 1.951 0.457 0.000) 2.004 2.303 ( -1.337 4.856 0.000) 5.036 2.329 ( -0.708 0.064 0.000) 0.711 2.601 ( -2.767 -0.376 0.000) 2.793 2.642 ( -1.403 -2.066 0.000) 2.498 2.808 ( 2.057 4.891 0.000) 5.306 2.932 ( 9.485 0.136 0.000) 9.486 3.151 ( -2.121 -8.309 0.000) 8.576 3.284 ( -1.751 0.084 0.000) 1.753 3.508 ( 0.315 3.407 0.000) 3.421 3.512 ( 1.289 -1.904 0.000) 2.299 3.929 ( -1.785 3.073 0.000) 3.554 3.980 ( 4.022 -2.804 0.000) 4.903 5.333 ( -3.060 3.643 0.000) 4.758 5.430 ( 4.207 -2.824 0.000) 5.066 5.940 ( -7.141 -0.785 0.000) 7.184 5.944 ( -19.091 -4.074 0.000) 19.520 6.132 ( -4.791 -1.386 0.000) 4.988 6.800 ( 16.997 4.492 0.000) 17.581 10.102 ( -7.497 -0.600 0.000) 7.521 10.281 ( 2.383 0.422 0.000) 2.420 11.654 ( 2.774 -11.565 0.000) 11.893 11.668 ( -24.231 -2.341 0.000) 24.344 12.339 ( 4.043 -5.114 0.000) 6.519 13.136 ( 17.615 14.130 0.000) 22.582 ======================= Grid point 17 (12/155) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -9.372 3.800 0.000) 10.113 0.939 ( -3.116 12.221 0.000) 12.612 1.513 ( -14.183 -2.592 0.000) 14.418 1.602 ( 8.605 -5.245 0.000) 10.078 1.614 ( 2.964 1.646 0.000) 3.390 2.091 ( -8.500 2.684 0.000) 8.914 2.226 ( -2.820 5.315 0.000) 6.017 2.326 ( 0.974 -3.926 0.000) 4.045 2.602 ( -2.756 2.029 0.000) 3.422 2.613 ( 1.783 3.000 0.000) 3.490 2.821 ( 4.977 3.535 0.000) 6.105 3.079 ( 6.292 -1.758 0.000) 6.533 3.237 ( -4.286 -1.132 0.000) 4.433 3.239 ( 3.948 -7.947 0.000) 8.873 3.503 ( 1.147 2.245 0.000) 2.521 3.566 ( 2.775 -3.318 0.000) 4.325 3.874 ( -1.712 3.031 0.000) 3.481 4.080 ( 4.501 -3.071 0.000) 5.449 5.261 ( -1.911 3.578 0.000) 4.057 5.486 ( -1.524 -2.649 0.000) 3.057 5.607 ( -22.234 -5.939 0.000) 23.013 5.831 ( -4.587 -1.037 0.000) 4.703 6.051 ( -5.815 0.865 0.000) 5.879 7.033 ( 13.499 4.236 0.000) 14.149 9.986 ( -6.741 -1.821 0.000) 6.983 10.265 ( -3.702 0.722 0.000) 3.772 11.208 ( -35.285 -13.951 0.000) 37.942 11.806 ( 4.544 -10.587 0.000) 11.520 12.549 ( 18.108 3.113 0.000) 18.373 13.318 ( 14.878 12.302 0.000) 19.305 ======================= Grid point 18 (13/155) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -8.989 5.723 0.000) 10.656 0.769 ( -4.228 14.602 0.000) 15.201 1.163 ( -22.331 2.428 0.000) 22.462 1.722 ( 7.232 1.315 0.000) 7.351 1.768 ( 5.176 -2.904 0.000) 5.935 1.913 ( -7.430 1.895 0.000) 7.668 2.125 ( -4.430 3.523 0.000) 5.660 2.402 ( 2.795 -5.663 0.000) 6.315 2.528 ( -2.737 3.821 0.000) 4.700 2.581 ( -0.322 5.684 0.000) 5.693 2.925 ( 7.741 1.324 0.000) 7.853 3.162 ( -4.559 -0.591 0.000) 4.597 3.182 ( 3.221 -3.827 0.000) 5.002 3.394 ( 9.383 -0.863 0.000) 9.423 3.483 ( -2.383 1.567 0.000) 2.852 3.666 ( 4.769 -4.646 0.000) 6.658 3.825 ( -1.386 2.025 0.000) 2.454 4.180 ( 3.901 -3.137 0.000) 5.006 5.153 ( -14.505 -3.647 0.000) 14.956 5.342 ( -6.142 0.486 0.000) 6.161 5.408 ( -8.143 -2.066 0.000) 8.401 5.822 ( 1.502 -1.355 0.000) 2.023 5.914 ( -8.486 1.311 0.000) 8.586 7.201 ( 9.281 3.741 0.000) 10.007 9.894 ( -5.450 -1.812 0.000) 5.743 10.155 ( -10.282 -3.965 0.000) 11.020 10.658 ( -44.264 -22.377 0.000) 49.599 11.988 ( 6.278 -10.744 0.000) 12.443 12.889 ( 26.423 10.959 0.000) 28.605 13.446 ( 10.106 10.627 0.000) 14.665 ======================= Grid point 19 (14/155) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( -7.214 8.242 0.000) 10.953 0.527 ( -13.962 9.876 0.000) 17.101 0.740 ( -15.002 16.197 0.000) 22.077 1.727 ( -5.246 1.413 0.000) 5.433 1.829 ( 5.968 0.873 0.000) 6.031 1.918 ( 3.439 -0.925 0.000) 3.561 2.020 ( -5.018 1.478 0.000) 5.231 2.453 ( -2.194 3.184 0.000) 3.867 2.484 ( 0.321 -2.294 0.000) 2.317 2.561 ( 3.080 -0.247 0.000) 3.090 3.027 ( 3.805 1.148 0.000) 3.975 3.111 ( -0.085 0.801 0.000) 0.805 3.259 ( 2.164 -3.613 0.000) 4.211 3.383 ( -6.891 2.348 0.000) 7.280 3.604 ( 20.601 9.125 0.000) 22.532 3.790 ( 4.214 -5.084 0.000) 6.603 3.797 ( -0.527 0.710 0.000) 0.884 4.258 ( 1.788 -3.096 0.000) 3.575 4.856 ( -23.597 -9.119 0.000) 25.297 5.291 ( -5.785 -1.594 0.000) 6.001 5.341 ( 4.994 3.821 0.000) 6.288 5.750 ( -8.577 0.913 0.000) 8.626 5.867 ( 1.742 -1.261 0.000) 2.151 7.295 ( 4.660 3.135 0.000) 5.617 9.768 ( -63.795 -36.129 0.000) 73.316 9.828 ( -3.277 -1.129 0.000) 3.466 10.191 ( -11.114 -1.996 0.000) 11.292 12.180 ( 5.101 -10.491 0.000) 11.665 13.285 ( 31.059 15.501 0.000) 34.712 13.498 ( 4.828 8.890 0.000) 10.116 ======================= Grid point 20 (15/155) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.178 ( -0.000 10.611 0.000) 10.611 0.190 ( -0.000 11.327 0.000) 11.327 0.441 ( -0.000 26.909 0.000) 26.909 1.667 ( -0.000 1.099 0.000) 1.099 1.897 ( -0.000 0.286 0.000) 0.286 1.947 ( -0.000 0.856 0.000) 0.856 1.954 ( 0.000 -0.270 0.000) 0.270 2.418 ( -0.000 0.860 0.000) 0.860 2.471 ( -0.000 2.141 0.000) 2.141 2.644 ( 0.000 -6.464 0.000) 6.464 3.042 ( -0.000 0.172 0.000) 0.172 3.124 ( -0.000 3.227 0.000) 3.227 3.270 ( -0.000 2.146 0.000) 2.146 3.306 ( 0.000 -2.585 0.000) 2.585 3.790 ( -0.000 0.169 0.000) 0.169 3.869 ( 0.000 -4.007 0.000) 4.007 4.120 ( 0.000 -0.330 0.000) 0.330 4.222 ( 0.000 -6.278 0.000) 6.278 4.422 ( -0.000 5.565 0.000) 5.565 5.250 ( 0.000 -1.133 0.000) 1.133 5.390 ( -0.000 2.749 0.000) 2.749 5.647 ( -0.000 0.015 0.000) 0.015 5.892 ( 0.000 -0.927 0.000) 0.927 7.314 ( -0.000 2.312 0.000) 2.312 8.887 ( 0.000 -0.143 0.000) 0.143 9.805 ( 0.000 -0.659 0.000) 0.659 10.129 ( -0.000 0.083 0.000) 0.083 12.305 ( 0.000 -8.071 0.000) 8.071 13.477 ( -0.000 6.500 0.000) 6.500 13.625 ( -0.000 1.032 0.000) 1.032 ======================= Grid point 23 (16/155) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 10.527 0.000 0.000) 10.527 0.844 ( 11.716 0.000 0.000) 11.716 1.405 ( -8.677 -0.000 0.000) 8.677 1.663 ( -5.399 -0.000 0.000) 5.399 1.969 ( 17.622 0.000 0.000) 17.622 2.076 ( -0.686 -0.000 0.000) 0.686 2.102 ( 1.546 0.000 0.000) 1.546 2.427 ( -0.570 -0.000 0.000) 0.570 2.565 ( -3.938 -0.000 0.000) 3.938 2.613 ( 4.270 0.000 0.000) 4.270 2.698 ( 7.279 0.000 0.000) 7.279 2.940 ( -10.371 -0.000 0.000) 10.371 3.270 ( -4.725 -0.000 0.000) 4.725 3.425 ( -2.743 -0.000 0.000) 2.743 3.429 ( 1.406 0.000 0.000) 1.406 3.595 ( -1.225 -0.000 0.000) 1.225 3.820 ( 1.938 0.000 0.000) 1.938 4.081 ( -4.173 -0.000 0.000) 4.173 5.210 ( 3.564 0.000 0.000) 3.564 5.530 ( -3.541 -0.000 0.000) 3.541 5.969 ( 7.101 0.000 0.000) 7.101 6.048 ( 1.157 0.000 0.000) 1.157 6.196 ( 22.178 0.000 0.000) 22.178 6.624 ( -18.924 -0.000 0.000) 18.924 10.126 ( 4.788 0.000 0.000) 4.788 10.294 ( -0.240 -0.000 0.000) 0.240 11.371 ( -3.238 -0.000 0.000) 3.238 12.068 ( 3.206 0.000 0.000) 3.206 12.615 ( -25.713 -0.000 0.000) 25.713 12.869 ( 15.158 0.000 0.000) 15.158 ======================= Grid point 24 (17/155) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 6.473 -1.325 0.000) 6.607 1.037 ( 9.692 -0.044 0.000) 9.692 1.277 ( -4.763 -0.914 0.000) 4.850 1.574 ( -2.773 3.335 0.000) 4.337 1.971 ( -11.142 -1.709 0.000) 11.272 2.126 ( 2.889 1.286 0.000) 3.162 2.230 ( 10.348 -1.337 0.000) 10.434 2.409 ( -0.019 3.228 0.000) 3.228 2.537 ( 0.131 -4.218 0.000) 4.220 2.745 ( -11.016 0.382 0.000) 11.023 2.759 ( 9.949 -0.081 0.000) 9.949 2.810 ( 5.285 0.645 0.000) 5.325 3.148 ( -8.189 -1.078 0.000) 8.259 3.358 ( -3.895 1.078 0.000) 4.042 3.466 ( 1.727 -0.275 0.000) 1.748 3.581 ( -0.221 1.470 0.000) 1.487 3.868 ( 3.077 -0.967 0.000) 3.226 4.018 ( -2.543 0.992 0.000) 2.730 5.293 ( 5.105 -1.024 0.000) 5.207 5.457 ( -3.906 1.115 0.000) 4.062 6.026 ( -3.679 -0.196 0.000) 3.684 6.069 ( 3.937 0.666 0.000) 3.993 6.273 ( -21.819 -2.552 0.000) 21.967 6.558 ( 19.685 1.446 0.000) 19.738 10.211 ( 5.175 0.080 0.000) 5.176 10.233 ( -6.392 0.284 0.000) 6.399 11.382 ( 2.232 -4.704 0.000) 5.206 12.082 ( -19.500 4.384 0.000) 19.987 12.205 ( -4.147 -6.138 0.000) 7.407 13.114 ( 15.532 5.671 0.000) 16.535 ======================= Grid point 25 (18/155) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -5.961 0.863 0.000) 6.023 1.151 ( 4.130 3.663 0.000) 5.520 1.329 ( 7.848 -3.479 0.000) 8.585 1.539 ( 2.755 4.333 0.000) 5.135 1.755 ( -14.841 -3.365 0.000) 15.218 2.166 ( 1.988 -0.143 0.000) 1.993 2.336 ( -1.043 0.542 0.000) 1.176 2.376 ( -0.772 3.935 0.000) 4.010 2.596 ( -2.519 -0.239 0.000) 2.530 2.603 ( 3.222 -2.654 0.000) 4.174 2.870 ( 2.832 2.685 0.000) 3.902 2.936 ( 9.504 0.346 0.000) 9.511 3.039 ( -5.589 -5.175 0.000) 7.617 3.284 ( -3.984 -0.080 0.000) 3.984 3.488 ( 0.384 -1.115 0.000) 1.180 3.560 ( -0.164 2.571 0.000) 2.576 3.942 ( 4.014 -1.764 0.000) 4.384 3.971 ( -1.711 1.967 0.000) 2.607 5.384 ( -2.624 2.498 0.000) 3.623 5.392 ( 4.397 -1.769 0.000) 4.740 5.883 ( -22.843 -3.120 0.000) 23.055 5.929 ( -7.244 -0.499 0.000) 7.262 6.114 ( -1.265 -0.754 0.000) 1.473 6.859 ( 16.556 2.599 0.000) 16.759 10.094 ( -8.662 -0.361 0.000) 8.669 10.295 ( 4.079 1.112 0.000) 4.228 11.498 ( 4.643 -7.238 0.000) 8.599 11.549 ( -36.863 -8.987 0.000) 37.942 12.349 ( 13.542 3.479 0.000) 13.981 13.325 ( 15.164 8.608 0.000) 17.437 ======================= Grid point 26 (19/155) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -8.230 2.579 0.000) 8.625 1.122 ( -0.515 10.116 0.000) 10.129 1.468 ( -14.906 -2.962 0.000) 15.198 1.527 ( 10.190 -3.854 0.000) 10.895 1.643 ( 5.241 1.838 0.000) 5.554 2.133 ( -7.856 2.511 0.000) 8.248 2.267 ( -1.324 -3.364 0.000) 3.616 2.305 ( -3.746 4.295 0.000) 5.699 2.646 ( 1.069 3.527 0.000) 3.686 2.652 ( 5.688 1.831 0.000) 5.976 2.878 ( 2.123 3.364 0.000) 3.978 3.008 ( 0.143 -7.477 0.000) 7.479 3.149 ( 10.443 -2.449 0.000) 10.727 3.218 ( -4.311 -1.209 0.000) 4.477 3.513 ( 1.166 -2.997 0.000) 3.216 3.539 ( -0.141 2.070 0.000) 2.074 3.920 ( -2.143 2.519 0.000) 3.308 4.034 ( 4.416 -2.445 0.000) 5.047 5.319 ( -3.133 3.516 0.000) 4.709 5.446 ( -1.182 -2.191 0.000) 2.489 5.519 ( -20.895 -4.942 0.000) 21.472 5.816 ( -4.886 -0.842 0.000) 4.958 6.059 ( -5.417 0.183 0.000) 5.420 7.095 ( 13.047 3.225 0.000) 13.440 9.959 ( -7.284 -1.453 0.000) 7.427 10.292 ( -3.749 2.783 0.000) 4.669 10.964 ( -40.933 -15.254 0.000) 43.682 11.645 ( 4.761 -8.709 0.000) 9.926 12.625 ( 22.347 5.307 0.000) 22.968 13.502 ( 13.273 9.812 0.000) 16.506 ======================= Grid point 27 (20/155) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -7.470 4.559 0.000) 8.751 0.959 ( -10.707 8.279 0.000) 13.534 1.230 ( -9.157 5.869 0.000) 10.877 1.723 ( 8.396 -2.606 0.000) 8.791 1.745 ( 6.793 1.560 0.000) 6.970 1.945 ( -9.132 2.046 0.000) 9.359 2.182 ( -6.354 3.398 0.000) 7.206 2.313 ( 1.305 -5.143 0.000) 5.306 2.592 ( -3.014 4.098 0.000) 5.087 2.680 ( 1.099 6.238 0.000) 6.334 2.940 ( 6.368 0.353 0.000) 6.377 3.098 ( 2.723 -6.370 0.000) 6.927 3.152 ( -3.658 -0.585 0.000) 3.704 3.384 ( 15.302 -0.308 0.000) 15.305 3.509 ( -2.211 1.495 0.000) 2.669 3.586 ( 3.328 -5.062 0.000) 6.058 3.859 ( -2.450 2.097 0.000) 3.225 4.130 ( 3.856 -2.928 0.000) 4.842 5.094 ( -20.284 -3.171 0.000) 20.531 5.368 ( 0.483 2.093 0.000) 2.148 5.373 ( -7.845 -2.128 0.000) 8.128 5.799 ( 1.251 -1.356 0.000) 1.845 5.929 ( -8.632 0.631 0.000) 8.655 7.261 ( 9.045 3.537 0.000) 9.712 9.864 ( -5.119 -1.797 0.000) 5.426 10.059 ( -29.177 -7.197 0.000) 30.052 10.420 ( -27.222 -8.585 0.000) 28.544 11.807 ( 4.777 -10.959 0.000) 11.955 13.026 ( 27.732 6.541 0.000) 28.493 13.622 ( 9.579 10.505 0.000) 14.216 ======================= Grid point 28 (21/155) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( -5.128 7.019 0.000) 8.693 0.628 ( -19.436 4.467 0.000) 19.942 1.047 ( -1.275 19.315 0.000) 19.358 1.756 ( -4.521 2.089 0.000) 4.981 1.844 ( 5.481 0.922 0.000) 5.558 1.900 ( 4.090 -1.225 0.000) 4.269 2.047 ( -6.069 1.800 0.000) 6.330 2.384 ( 1.015 -7.288 0.000) 7.358 2.496 ( -4.226 2.344 0.000) 4.833 2.632 ( 0.176 6.489 0.000) 6.492 3.029 ( 1.556 -0.880 0.000) 1.788 3.132 ( 3.178 1.583 0.000) 3.550 3.189 ( 2.347 -4.860 0.000) 5.397 3.423 ( -5.634 2.533 0.000) 6.177 3.679 ( 9.992 -4.274 0.000) 10.868 3.715 ( 15.819 1.074 0.000) 15.855 3.810 ( -1.464 0.929 0.000) 1.734 4.203 ( 0.937 -3.383 0.000) 3.511 4.765 ( -19.774 -2.892 0.000) 19.985 5.261 ( -5.757 -2.051 0.000) 6.112 5.402 ( 5.324 3.629 0.000) 6.443 5.762 ( -9.311 0.645 0.000) 9.333 5.843 ( 1.695 -1.571 0.000) 2.311 7.352 ( 4.606 3.675 0.000) 5.893 9.401 ( -49.065 -13.434 0.000) 50.871 9.807 ( -2.853 -1.397 0.000) 3.176 10.187 ( -6.733 0.274 0.000) 6.739 11.983 ( 3.733 -13.216 0.000) 13.733 13.437 ( 23.142 5.768 0.000) 23.850 13.662 ( 4.824 10.881 0.000) 11.902 ======================= Grid point 29 (22/155) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( -0.000 8.713 0.000) 8.713 0.358 ( -0.000 9.287 0.000) 9.287 0.857 ( -0.000 24.429 0.000) 24.429 1.693 ( -0.000 1.990 0.000) 1.990 1.904 ( -0.000 0.484 0.000) 0.484 1.948 ( 0.000 -0.447 0.000) 0.447 1.965 ( -0.000 1.293 0.000) 1.293 2.437 ( -0.000 1.438 0.000) 1.438 2.453 ( 0.000 -6.540 0.000) 6.540 2.595 ( -0.000 3.170 0.000) 3.170 3.037 ( 0.000 -0.834 0.000) 0.834 3.178 ( -0.000 2.928 0.000) 2.928 3.249 ( 0.000 -4.338 0.000) 4.338 3.317 ( -0.000 3.518 0.000) 3.518 3.779 ( 0.000 -6.908 0.000) 6.908 3.794 ( -0.000 0.287 0.000) 0.287 4.113 ( 0.000 -0.550 0.000) 0.550 4.128 ( 0.000 -5.274 0.000) 5.274 4.503 ( -0.000 4.463 0.000) 4.463 5.225 ( 0.000 -1.912 0.000) 1.912 5.447 ( -0.000 4.091 0.000) 4.091 5.647 ( -0.000 0.025 0.000) 0.025 5.872 ( 0.000 -1.508 0.000) 1.508 7.363 ( -0.000 3.569 0.000) 3.569 8.884 ( 0.000 -0.224 0.000) 0.224 9.791 ( 0.000 -1.069 0.000) 1.069 10.131 ( -0.000 0.129 0.000) 0.129 12.128 ( 0.000 -13.263 0.000) 13.263 13.618 ( -0.000 10.425 0.000) 10.425 13.648 ( -0.000 1.665 0.000) 1.665 ======================= Grid point 34 (23/155) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -5.220 -0.000 0.000) 5.220 1.180 ( 6.294 0.000 0.000) 6.294 1.301 ( 7.865 0.000 0.000) 7.865 1.585 ( 2.682 0.000 0.000) 2.682 1.719 ( -16.113 -0.000 0.000) 16.113 2.164 ( 1.893 0.000 0.000) 1.893 2.341 ( -1.032 -0.000 0.000) 1.032 2.414 ( -1.463 -0.000 0.000) 1.463 2.575 ( 6.347 0.000 0.000) 6.347 2.594 ( -2.471 -0.000 0.000) 2.471 2.892 ( 3.258 0.000 0.000) 3.258 2.941 ( 10.601 0.000 0.000) 10.601 2.995 ( -8.443 -0.000 0.000) 8.443 3.283 ( -4.808 -0.000 0.000) 4.808 3.478 ( -0.046 -0.000 0.000) 0.046 3.582 ( -0.504 -0.000 0.000) 0.504 3.927 ( 4.016 0.000 0.000) 4.016 3.988 ( -1.686 -0.000 0.000) 1.686 5.377 ( 4.463 0.000 0.000) 4.463 5.406 ( -2.323 -0.000 0.000) 2.323 5.855 ( -23.947 -0.000 0.000) 23.947 5.925 ( -7.281 -0.000 0.000) 7.281 6.108 ( -0.346 -0.000 0.000) 0.346 6.880 ( 16.412 0.000 0.000) 16.412 10.091 ( -9.115 -0.000 0.000) 9.115 10.307 ( 5.175 0.000 0.000) 5.175 11.437 ( 5.372 0.000 0.000) 5.372 11.466 ( -39.404 -0.000 0.000) 39.404 12.384 ( 14.530 0.000 0.000) 14.530 13.396 ( 14.240 0.000 0.000) 14.240 ======================= Grid point 35 (24/155) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -7.620 0.885 0.000) 7.671 1.250 ( 3.162 5.041 0.000) 5.950 1.421 ( -17.461 -2.437 0.000) 17.630 1.484 ( 11.128 -1.415 0.000) 11.218 1.667 ( 6.180 0.897 0.000) 6.244 2.174 ( -6.410 2.575 0.000) 6.908 2.217 ( -3.714 -2.869 0.000) 4.693 2.355 ( -4.552 1.690 0.000) 4.856 2.671 ( 7.828 0.584 0.000) 7.850 2.713 ( 7.479 4.337 0.000) 8.645 2.880 ( -4.839 -6.705 0.000) 8.268 2.920 ( 0.833 1.473 0.000) 1.692 3.135 ( 11.969 -0.129 0.000) 11.970 3.202 ( -4.429 -0.605 0.000) 4.470 3.477 ( -0.176 -1.280 0.000) 1.292 3.563 ( -1.090 0.855 0.000) 1.386 3.949 ( -2.416 0.992 0.000) 2.612 4.006 ( 4.400 -0.941 0.000) 4.499 5.372 ( -2.536 2.709 0.000) 3.711 5.420 ( -0.978 -0.855 0.000) 1.299 5.451 ( -21.135 -3.189 0.000) 21.374 5.806 ( -5.060 -0.323 0.000) 5.070 6.059 ( -5.153 -0.009 0.000) 5.153 7.131 ( 12.805 1.191 0.000) 12.860 9.942 ( -7.613 -0.552 0.000) 7.633 10.347 ( -1.084 3.135 0.000) 3.317 10.761 ( -43.550 -8.118 0.000) 44.300 11.544 ( 4.870 -3.369 0.000) 5.922 12.692 ( 22.143 2.405 0.000) 22.273 13.614 ( 12.314 3.721 0.000) 12.864 ======================= Grid point 36 (25/155) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -6.592 2.397 0.000) 7.014 1.040 ( -18.659 2.607 0.000) 18.841 1.328 ( 3.265 5.142 0.000) 6.091 1.689 ( 10.346 -1.550 0.000) 10.462 1.770 ( 6.332 1.420 0.000) 6.489 1.976 ( -10.155 1.659 0.000) 10.289 2.229 ( -7.631 2.306 0.000) 7.972 2.243 ( 0.506 -3.299 0.000) 3.337 2.658 ( -5.520 3.885 0.000) 6.750 2.772 ( 3.990 4.883 0.000) 6.306 2.934 ( 2.880 -0.959 0.000) 3.036 2.991 ( 5.863 -6.200 0.000) 8.533 3.145 ( -2.232 -0.335 0.000) 2.257 3.386 ( 17.119 0.569 0.000) 17.128 3.511 ( 2.229 -3.937 0.000) 4.524 3.529 ( -2.229 0.947 0.000) 2.422 3.888 ( -3.313 1.348 0.000) 3.577 4.091 ( 3.888 -1.766 0.000) 4.270 5.056 ( -20.761 -1.507 0.000) 20.815 5.344 ( -7.605 -1.354 0.000) 7.725 5.398 ( 2.383 1.402 0.000) 2.765 5.781 ( 1.032 -0.842 0.000) 1.332 5.936 ( -8.531 0.228 0.000) 8.534 7.308 ( 8.878 2.099 0.000) 9.123 9.840 ( -4.869 -1.105 0.000) 4.993 9.959 ( -42.539 -4.538 0.000) 42.780 10.333 ( -10.924 -3.168 0.000) 11.374 11.658 ( 3.525 -6.900 0.000) 7.749 13.106 ( 26.608 3.423 0.000) 26.828 13.763 ( 9.178 6.440 0.000) 11.212 ======================= Grid point 37 (26/155) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -4.122 4.414 0.000) 6.039 0.687 ( -18.014 2.827 0.000) 18.234 1.320 ( 3.671 13.873 0.000) 14.351 1.792 ( -3.402 2.342 0.000) 4.130 1.859 ( 4.923 1.016 0.000) 5.026 1.880 ( 4.372 -1.309 0.000) 4.564 2.075 ( -7.243 1.592 0.000) 7.416 2.278 ( -0.382 -5.539 0.000) 5.553 2.530 ( -5.613 1.819 0.000) 5.900 2.744 ( 0.037 7.094 0.000) 7.094 3.000 ( 0.621 -2.766 0.000) 2.835 3.112 ( 3.047 -4.464 0.000) 5.405 3.156 ( 4.469 1.308 0.000) 4.656 3.461 ( -4.340 1.985 0.000) 4.773 3.577 ( 2.679 -6.090 0.000) 6.654 3.743 ( 20.901 1.048 0.000) 20.927 3.825 ( -2.439 0.799 0.000) 2.567 4.155 ( 0.723 -2.395 0.000) 2.502 4.742 ( -15.629 -0.453 0.000) 15.636 5.230 ( -5.760 -1.734 0.000) 6.016 5.452 ( 5.558 2.521 0.000) 6.103 5.771 ( -9.462 0.498 0.000) 9.475 5.819 ( 1.639 -1.290 0.000) 2.086 7.406 ( 4.557 2.835 0.000) 5.367 9.258 ( -38.639 -5.566 0.000) 39.038 9.786 ( -2.434 -1.132 0.000) 2.684 10.191 ( -6.283 0.168 0.000) 6.286 11.782 ( 2.320 -10.928 0.000) 11.172 13.504 ( 19.687 2.902 0.000) 19.899 13.825 ( 4.829 8.728 0.000) 9.975 ======================= Grid point 38 (27/155) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( -0.000 6.043 0.000) 6.043 0.485 ( -0.000 6.401 0.000) 6.401 1.215 ( -0.000 19.664 0.000) 19.664 1.729 ( -0.000 2.420 0.000) 2.420 1.912 ( -0.000 0.506 0.000) 0.506 1.940 ( 0.000 -0.459 0.000) 0.459 1.985 ( -0.000 1.158 0.000) 1.158 2.328 ( 0.000 -7.648 0.000) 7.648 2.462 ( -0.000 1.498 0.000) 1.498 2.686 ( -0.000 6.850 0.000) 6.850 3.015 ( 0.000 -1.910 0.000) 1.910 3.175 ( 0.000 -4.610 0.000) 4.610 3.213 ( -0.000 1.549 0.000) 1.549 3.376 ( -0.000 3.584 0.000) 3.584 3.658 ( 0.000 -7.620 0.000) 7.620 3.799 ( -0.000 0.309 0.000) 0.309 4.056 ( 0.000 -3.625 0.000) 3.625 4.104 ( 0.000 -0.570 0.000) 0.570 4.564 ( -0.000 3.123 0.000) 3.123 5.192 ( 0.000 -2.021 0.000) 2.021 5.512 ( -0.000 3.745 0.000) 3.745 5.648 ( -0.000 0.025 0.000) 0.025 5.846 ( 0.000 -1.530 0.000) 1.530 7.421 ( -0.000 3.386 0.000) 3.386 8.881 ( 0.000 -0.216 0.000) 0.216 9.773 ( 0.000 -1.072 0.000) 1.072 10.133 ( -0.000 0.123 0.000) 0.123 11.905 ( 0.000 -13.565 0.000) 13.565 13.675 ( -0.000 1.659 0.000) 1.659 13.791 ( -0.000 10.331 0.000) 10.331 ======================= Grid point 45 (28/155) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -6.307 -0.000 0.000) 6.307 1.060 ( -20.465 -0.000 0.000) 20.465 1.371 ( 6.615 0.000 0.000) 6.615 1.676 ( 11.005 0.000 0.000) 11.005 1.783 ( 6.157 0.000 0.000) 6.157 1.991 ( -10.676 -0.000 0.000) 10.676 2.215 ( 0.442 0.000 0.000) 0.442 2.249 ( -8.029 -0.000 0.000) 8.029 2.697 ( -8.786 -0.000 0.000) 8.786 2.818 ( 7.448 0.000 0.000) 7.448 2.921 ( -1.072 -0.000 0.000) 1.072 2.931 ( 9.549 0.000 0.000) 9.549 3.142 ( -1.410 -0.000 0.000) 1.410 3.395 ( 18.407 0.000 0.000) 18.407 3.474 ( 0.775 0.000 0.000) 0.775 3.537 ( -2.264 -0.000 0.000) 2.264 3.899 ( -3.648 -0.000 0.000) 3.648 4.076 ( 3.916 0.000 0.000) 3.916 5.044 ( -20.569 -0.000 0.000) 20.569 5.333 ( -7.512 -0.000 0.000) 7.512 5.409 ( 2.816 0.000 0.000) 2.816 5.774 ( 0.943 0.000 0.000) 0.943 5.938 ( -8.450 -0.000 0.000) 8.450 7.325 ( 8.819 0.000 0.000) 8.819 9.831 ( -4.777 -0.000 0.000) 4.777 9.922 ( -46.025 -0.000 0.000) 46.025 10.308 ( -5.886 -0.000 0.000) 5.886 11.600 ( 3.040 0.000 0.000) 3.040 13.134 ( 25.940 0.000 0.000) 25.940 13.816 ( 9.029 0.000 0.000) 9.029 ======================= Grid point 47 (29/155) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -3.698 1.480 0.000) 3.983 0.718 ( -16.923 0.987 0.000) 16.952 1.475 ( 6.457 4.944 0.000) 8.133 1.828 ( -2.720 1.937 0.000) 3.340 1.858 ( 4.579 -1.409 0.000) 4.791 1.874 ( 4.373 0.600 0.000) 4.414 2.095 ( -8.236 0.717 0.000) 8.267 2.215 ( -1.241 -2.107 0.000) 2.445 2.552 ( -6.575 0.754 0.000) 6.618 2.852 ( 0.171 6.233 0.000) 6.235 2.940 ( 0.435 -4.630 0.000) 4.650 3.057 ( 3.914 -1.959 0.000) 4.377 3.171 ( 4.628 0.500 0.000) 4.655 3.484 ( -3.493 0.773 0.000) 3.578 3.504 ( 1.415 -2.479 0.000) 2.855 3.752 ( 20.453 0.185 0.000) 20.454 3.834 ( -3.065 0.319 0.000) 3.081 4.129 ( 0.911 -0.852 0.000) 1.248 4.740 ( -13.578 0.034 0.000) 13.578 5.209 ( -5.779 -0.682 0.000) 5.819 5.480 ( 5.623 0.882 0.000) 5.692 5.777 ( -9.375 0.202 0.000) 9.377 5.804 ( 1.599 -0.500 0.000) 1.675 7.438 ( 4.530 1.055 0.000) 4.651 9.202 ( -34.142 -1.604 0.000) 34.179 9.773 ( -2.176 -0.433 0.000) 2.219 10.193 ( -6.015 0.031 0.000) 6.015 11.655 ( 1.423 -4.236 0.000) 4.468 13.535 ( 18.273 0.959 0.000) 18.298 13.926 ( 4.836 3.317 0.000) 5.864 ======================= Grid point 48 (30/155) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -0.000 3.054 0.000) 3.054 0.562 ( -0.000 3.204 0.000) 3.204 1.472 ( -0.000 11.563 0.000) 11.563 1.766 ( -0.000 1.903 0.000) 1.903 1.919 ( -0.000 0.323 0.000) 0.323 1.934 ( 0.000 -0.290 0.000) 0.290 2.000 ( -0.000 0.635 0.000) 0.635 2.226 ( 0.000 -4.702 0.000) 4.702 2.482 ( -0.000 0.957 0.000) 0.957 2.798 ( -0.000 6.732 0.000) 6.732 2.972 ( 0.000 -3.524 0.000) 3.524 3.110 ( 0.000 -3.122 0.000) 3.122 3.231 ( -0.000 0.652 0.000) 0.652 3.425 ( -0.000 2.253 0.000) 2.253 3.551 ( 0.000 -5.181 0.000) 5.181 3.804 ( -0.000 0.205 0.000) 0.205 4.012 ( 0.000 -1.819 0.000) 1.819 4.096 ( 0.000 -0.363 0.000) 0.363 4.602 ( -0.000 1.611 0.000) 1.611 5.164 ( 0.000 -1.312 0.000) 1.312 5.561 ( -0.000 2.175 0.000) 2.175 5.648 ( -0.000 0.016 0.000) 0.016 5.826 ( 0.000 -0.963 0.000) 0.963 7.466 ( -0.000 2.015 0.000) 2.015 8.878 ( 0.000 -0.129 0.000) 0.129 9.758 ( 0.000 -0.664 0.000) 0.664 10.135 ( -0.000 0.074 0.000) 0.074 11.720 ( 0.000 -8.554 0.000) 8.554 13.697 ( -0.000 1.022 0.000) 1.022 13.929 ( -0.000 6.342 0.000) 6.342 ======================= Grid point 58 (31/155) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( -0.000 0.000 0.000) 0.000 0.588 ( -0.000 0.000 0.000) 0.000 1.568 ( -0.000 0.000 0.000) 0.000 1.782 ( -0.000 0.000 0.000) 0.000 1.922 ( -0.000 0.000 0.000) 0.000 1.931 ( -0.000 0.000 0.000) 0.000 2.005 ( -0.000 0.000 0.000) 0.000 2.186 ( -0.000 0.000 0.000) 0.000 2.490 ( -0.000 0.000 0.000) 0.000 2.886 ( 0.000 -0.000 0.000) 0.000 2.911 ( -0.000 0.000 0.000) 0.000 3.083 ( -0.000 0.000 0.000) 0.000 3.236 ( -0.000 0.000 0.000) 0.000 3.444 ( -0.000 0.000 0.000) 0.000 3.507 ( -0.000 0.000 0.000) 0.000 3.805 ( -0.000 0.000 0.000) 0.000 3.998 ( -0.000 0.000 0.000) 0.000 4.093 ( -0.000 0.000 0.000) 0.000 4.615 ( -0.000 0.000 0.000) 0.000 5.153 ( -0.000 0.000 0.000) 0.000 5.579 ( -0.000 0.000 0.000) 0.000 5.648 ( -0.000 0.000 0.000) 0.000 5.817 ( -0.000 0.000 0.000) 0.000 7.482 ( -0.000 0.000 0.000) 0.000 8.877 ( -0.000 0.000 0.000) 0.000 9.753 ( -0.000 0.000 0.000) 0.000 10.135 ( -0.000 0.000 0.000) 0.000 11.649 ( -0.000 0.000 0.000) 0.000 13.706 ( -0.000 0.000 0.000) 0.000 13.982 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 105 (32/155) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.218 ( 0.000 0.000 11.040) 11.040 0.242 ( 0.000 0.000 12.318) 12.318 0.579 ( 0.000 0.000 29.139) 29.139 1.598 ( 0.000 0.000 -5.727) 5.727 1.926 ( 0.000 0.000 -3.059) 3.059 1.954 ( 0.000 0.000 1.573) 1.573 1.965 ( 0.000 0.000 7.004) 7.004 2.363 ( 0.000 0.000 1.371) 1.371 2.413 ( 0.000 0.000 0.144) 0.144 2.426 ( 0.000 0.000 -2.283) 2.283 2.692 ( 0.000 0.000 -1.708) 1.708 3.051 ( 0.000 0.000 1.485) 1.485 3.218 ( 0.000 0.000 -3.190) 3.190 3.335 ( 0.000 0.000 0.538) 0.538 3.752 ( 0.000 0.000 -3.773) 3.773 3.881 ( 0.000 0.000 -1.582) 1.582 4.019 ( 0.000 0.000 0.050) 0.050 4.150 ( 0.000 0.000 2.507) 2.507 4.317 ( 0.000 0.000 -0.145) 0.145 5.268 ( 0.000 0.000 0.819) 0.819 5.394 ( 0.000 0.000 8.645) 8.645 5.767 ( 0.000 0.000 11.959) 11.959 7.286 ( 0.000 0.000 -0.876) 0.876 8.901 ( 0.000 0.000 1.268) 1.268 9.004 ( 0.000 0.000 -0.582) 0.582 9.798 ( 0.000 0.000 -1.257) 1.257 10.092 ( 0.000 0.000 -3.664) 3.664 11.609 ( 0.000 0.000 -3.292) 3.292 12.864 ( 0.000 0.000 -1.296) 1.296 13.431 ( 0.000 0.000 0.795) 0.795 ======================= Grid point 106 (33/155) ======================= q-point: ( 0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( 6.519 -8.976 8.619) 14.049 0.518 ( 12.849 -2.050 12.555) 18.081 0.719 ( 19.646 -3.475 15.890) 25.505 1.636 ( 3.660 -0.816 -6.690) 7.669 1.836 ( -7.118 -0.313 2.021) 7.406 1.906 ( -2.222 0.402 -2.301) 3.224 2.076 ( 5.623 -1.151 6.415) 8.608 2.403 ( 1.999 -3.176 0.962) 3.874 2.440 ( 1.122 -1.716 -1.724) 2.678 2.610 ( -6.219 2.961 -1.238) 6.998 2.705 ( 15.676 -6.115 -15.241) 22.703 3.014 ( -4.576 -0.610 1.040) 4.732 3.246 ( 0.935 -0.210 -3.971) 4.084 3.338 ( 2.092 0.433 1.332) 2.517 3.733 ( -8.975 1.060 7.844) 11.967 3.759 ( -0.867 -0.875 -1.389) 1.856 3.839 ( -3.799 1.551 -0.621) 4.150 4.277 ( -2.006 1.028 -1.642) 2.788 4.660 ( 30.016 3.107 -11.635) 32.341 5.328 ( 6.733 0.593 1.396) 6.901 5.369 ( -3.017 -2.374 9.931) 10.647 5.829 ( 6.073 -0.320 10.240) 11.909 7.059 ( -51.771 14.316 59.685) 80.297 7.258 ( -6.995 -2.478 1.790) 7.634 9.816 ( 4.871 1.014 -2.512) 5.573 10.106 ( 2.718 1.618 -3.505) 4.722 10.588 ( 69.329 62.473 -29.577) 97.899 11.868 ( -1.564 -41.050 -21.597) 46.411 12.730 ( -15.868 -9.018 -1.235) 18.293 13.402 ( -5.063 -3.616 0.665) 6.257 ======================= Grid point 107 (34/155) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 7.328 -8.101 6.443) 12.682 0.693 ( 7.053 -5.382 14.698) 17.168 1.173 ( 25.504 -0.652 3.657) 25.774 1.688 ( -4.288 -0.689 -3.422) 5.529 1.751 ( 1.691 -0.072 -3.858) 4.213 1.845 ( -3.124 0.873 -1.498) 3.572 2.170 ( 2.949 -3.338 6.552) 7.922 2.457 ( 0.985 -1.185 -2.218) 2.701 2.480 ( -4.582 1.767 -1.471) 5.126 2.518 ( 5.710 -2.375 3.312) 7.015 2.893 ( -4.146 -0.585 -3.823) 5.670 2.937 ( 2.219 -3.063 -8.826) 9.602 3.218 ( -1.774 1.976 -3.039) 4.036 3.398 ( 3.020 0.293 1.134) 3.239 3.617 ( -3.356 2.520 6.869) 8.050 3.738 ( -4.693 2.309 0.645) 5.270 3.781 ( 0.675 -1.646 -1.362) 2.240 4.213 ( -3.746 1.990 -0.998) 4.358 5.094 ( 23.676 5.570 -9.054) 25.952 5.351 ( -0.255 -3.462 10.652) 11.204 5.485 ( 10.889 0.764 2.235) 11.142 5.951 ( 6.547 -0.807 7.737) 10.168 6.443 ( -17.069 6.029 43.372) 46.998 7.146 ( -9.578 -2.812 -0.312) 9.987 9.910 ( 6.517 1.172 -0.850) 6.676 10.162 ( 4.596 0.413 -2.721) 5.357 11.041 ( 34.704 33.882 -10.271) 49.577 12.000 ( -4.543 -8.006 -12.869) 15.823 12.541 ( -13.119 -9.077 -7.709) 17.719 13.305 ( -10.946 -6.620 0.224) 12.794 ======================= Grid point 108 (35/155) ======================= q-point: ( 0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 7.661 -6.078 5.019) 10.992 0.866 ( 7.232 -5.853 10.633) 14.128 1.549 ( 4.835 1.648 0.130) 5.109 1.589 ( 6.965 -0.204 -0.579) 6.992 1.694 ( -5.106 4.631 0.478) 6.910 1.909 ( 7.014 -2.737 -8.743) 11.538 2.225 ( -0.556 -3.609 2.880) 4.651 2.379 ( -2.666 2.961 -1.413) 4.228 2.515 ( 1.601 -2.468 -2.744) 4.022 2.651 ( 7.097 -1.530 5.801) 9.293 2.770 ( -7.410 -1.932 0.119) 7.658 2.965 ( -3.952 -2.249 -8.238) 9.410 3.200 ( 2.732 3.878 -4.050) 6.237 3.409 ( -0.841 1.589 3.220) 3.688 3.552 ( -1.766 2.923 4.741) 5.843 3.642 ( -3.824 1.690 2.322) 4.782 3.822 ( 1.642 -2.829 -0.496) 3.309 4.122 ( -4.334 2.531 -0.279) 5.027 5.320 ( 5.218 -0.371 9.229) 10.609 5.492 ( 13.330 2.122 0.144) 13.499 5.684 ( 13.209 1.582 0.951) 13.337 6.046 ( 3.191 -0.133 7.561) 8.208 6.235 ( -3.441 2.925 26.572) 26.954 6.966 ( -13.926 -3.858 -0.080) 14.451 10.015 ( 6.543 1.492 0.082) 6.711 10.244 ( 3.966 -0.317 -1.746) 4.345 11.337 ( 18.818 8.493 -4.596) 21.151 11.924 ( -3.233 5.860 -4.311) 7.961 12.430 ( -2.341 2.191 -10.667) 11.138 13.125 ( -17.087 -9.819 -0.631) 19.718 ======================= Grid point 109 (36/155) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 7.532 -4.419 3.397) 9.371 1.022 ( 5.225 -3.849 7.065) 9.593 1.440 ( -6.282 -0.825 0.833) 6.390 1.539 ( -6.258 5.088 2.068) 8.326 1.850 ( 13.640 3.405 -2.190) 14.228 2.060 ( 5.941 -2.897 -7.083) 9.688 2.190 ( -3.856 -0.866 -4.051) 5.659 2.331 ( -2.689 0.106 -2.164) 3.453 2.555 ( 2.934 0.913 -2.187) 3.772 2.691 ( -4.982 -4.518 -2.118) 7.051 2.775 ( 5.756 0.627 6.922) 9.025 2.883 ( -5.955 -2.928 -2.427) 7.066 3.223 ( 3.735 5.166 -2.937) 7.019 3.352 ( -4.496 0.463 3.628) 5.796 3.521 ( 0.724 1.616 4.239) 4.594 3.581 ( -2.175 0.846 2.969) 3.776 3.879 ( 2.013 -3.337 0.319) 3.910 4.028 ( -3.802 2.864 0.352) 4.773 5.412 ( 4.533 -2.888 13.245) 14.294 5.593 ( 0.658 3.239 9.884) 10.422 5.918 ( 13.119 2.082 -1.658) 13.386 6.080 ( 1.446 0.205 5.849) 6.029 6.257 ( 8.145 3.062 11.433) 14.367 6.727 ( -17.155 -4.908 0.568) 17.852 10.116 ( 6.127 0.622 0.369) 6.169 10.276 ( -0.739 0.360 -0.650) 1.048 11.560 ( 6.440 -8.845 -3.335) 11.438 11.821 ( -0.632 11.139 -2.477) 11.429 12.447 ( 12.504 14.728 -8.089) 20.945 12.877 ( -21.527 -13.865 -2.025) 25.686 ======================= Grid point 110 (37/155) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -1.461 -1.680 3.307) 3.986 1.053 ( 1.461 1.680 3.307) 3.986 1.415 ( -0.124 -5.185 2.991) 5.988 1.415 ( 0.124 5.185 2.991) 5.988 2.023 ( -8.654 -1.804 -3.383) 9.466 2.023 ( 8.654 1.804 -3.383) 9.466 2.248 ( -4.774 1.165 -5.794) 7.597 2.248 ( 4.774 -1.165 -5.794) 7.597 2.622 ( -5.810 -2.897 -3.558) 7.403 2.622 ( 5.810 2.897 -3.558) 7.403 2.835 ( -3.326 -3.695 3.997) 6.378 2.835 ( 3.326 3.695 3.997) 6.378 3.267 ( -5.292 -2.627 1.258) 6.041 3.267 ( 5.292 2.627 1.258) 6.041 3.542 ( -1.682 -1.989 3.527) 4.385 3.542 ( 1.682 1.989 3.527) 4.385 3.946 ( 2.699 -3.191 0.603) 4.223 3.946 ( -2.699 3.191 0.603) 4.223 5.521 ( 3.558 -3.130 13.868) 14.655 5.521 ( -3.558 3.130 13.868) 14.655 6.060 ( -4.718 -0.916 1.992) 5.203 6.060 ( 4.718 0.916 1.992) 5.203 6.460 ( -17.313 -5.278 3.050) 18.355 6.460 ( 17.313 5.278 3.050) 18.355 10.217 ( -4.986 0.570 0.127) 5.020 10.217 ( 4.986 -0.570 0.127) 5.020 11.712 ( 0.701 -13.942 -2.978) 14.274 11.712 ( -0.701 13.942 -2.978) 14.274 12.621 ( -21.331 -17.534 -4.410) 27.963 12.621 ( 21.331 17.534 -4.410) 27.963 ======================= Grid point 117 (38/155) ======================= q-point: ( 0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 9.681 0.000 7.343) 12.151 0.651 ( 7.536 0.000 17.057) 18.647 1.169 ( 27.109 0.000 3.578) 27.344 1.682 ( -3.971 -0.000 -3.457) 5.265 1.750 ( 2.871 0.000 -4.461) 5.305 1.853 ( -4.012 -0.000 -0.672) 4.068 2.140 ( 2.616 0.000 6.109) 6.646 2.434 ( 1.837 0.000 -2.578) 3.166 2.498 ( 6.711 0.000 3.860) 7.742 2.510 ( -5.666 -0.000 -1.405) 5.837 2.899 ( 7.526 0.000 -13.358) 15.332 2.900 ( -8.090 -0.000 0.957) 8.146 3.234 ( -1.418 -0.000 -3.558) 3.831 3.401 ( 3.514 0.000 1.747) 3.924 3.640 ( -3.071 -0.000 8.028) 8.595 3.759 ( -5.581 -0.000 0.782) 5.636 3.764 ( 0.738 0.000 -2.357) 2.470 4.230 ( -3.781 -0.000 -1.106) 3.939 5.151 ( 24.820 0.000 -10.599) 26.988 5.314 ( -1.596 -0.000 12.113) 12.218 5.492 ( 10.986 0.000 2.028) 11.172 5.944 ( 6.618 0.000 7.691) 10.146 6.497 ( -20.400 -0.000 45.725) 50.070 7.122 ( -9.473 -0.000 -0.707) 9.499 9.920 ( 6.564 0.000 -0.825) 6.615 10.163 ( 3.921 0.000 -2.926) 4.892 11.528 ( -4.631 -0.000 -2.830) 5.427 11.731 ( 26.619 0.000 -34.525) 43.595 12.476 ( -8.419 -0.000 1.611) 8.572 13.249 ( -11.030 -0.000 0.264) 11.033 ======================= Grid point 118 (39/155) ======================= q-point: ( 0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 9.694 -2.969 5.474) 11.522 0.804 ( 8.762 -1.921 13.077) 15.857 1.559 ( -7.208 -0.021 0.074) 7.208 1.597 ( 20.155 0.700 -0.390) 20.171 1.762 ( -3.568 3.243 0.601) 4.859 1.865 ( 6.140 -2.393 -8.739) 10.945 2.174 ( 0.230 -1.896 3.656) 4.125 2.425 ( -3.191 2.014 -2.304) 4.421 2.482 ( 3.261 -1.371 -2.826) 4.528 2.633 ( 7.169 -0.591 5.524) 9.070 2.748 ( -8.239 -0.713 1.412) 8.390 2.939 ( -3.308 -0.893 -9.492) 10.092 3.241 ( 3.071 1.201 -4.249) 5.379 3.423 ( -1.174 0.372 3.377) 3.595 3.594 ( -1.827 1.699 6.203) 6.686 3.661 ( -4.621 0.650 1.556) 4.919 3.787 ( 1.378 -1.266 -1.211) 2.229 4.152 ( -4.417 1.020 -0.349) 4.547 5.313 ( 1.771 -0.319 13.083) 13.206 5.521 ( 15.585 1.063 -2.399) 15.805 5.701 ( 13.800 0.579 -0.171) 13.814 6.043 ( 4.163 -0.116 5.793) 7.134 6.271 ( -5.474 1.276 30.061) 30.582 6.921 ( -14.173 -1.560 -0.316) 14.262 10.032 ( 6.207 0.581 0.063) 6.235 10.239 ( 4.142 -0.186 -2.018) 4.611 11.424 ( -2.196 2.494 -2.738) 4.306 11.984 ( 3.322 1.807 -8.536) 9.336 12.480 ( 9.329 2.522 -10.530) 14.293 13.010 ( -18.128 -3.872 -0.277) 18.539 ======================= Grid point 119 (40/155) ======================= q-point: ( 0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 9.138 -3.195 3.905) 10.438 0.974 ( 8.177 -2.162 9.086) 12.413 1.425 ( -7.527 -0.674 1.234) 7.657 1.625 ( -5.067 4.733 0.848) 6.985 1.904 ( 12.372 3.284 -3.484) 13.266 2.007 ( 7.738 -3.420 -5.904) 10.316 2.158 ( -4.321 -2.498 -1.269) 5.151 2.358 ( -2.316 2.767 -3.857) 5.282 2.567 ( 5.428 0.192 -2.624) 6.032 2.614 ( -5.762 -4.161 -0.544) 7.128 2.785 ( 6.801 0.499 7.185) 9.906 2.846 ( -6.758 -1.695 -4.705) 8.407 3.288 ( 3.090 2.637 -4.384) 5.977 3.356 ( -5.739 0.298 4.742) 7.451 3.544 ( -2.021 0.969 5.216) 5.677 3.606 ( -0.975 1.845 2.473) 3.236 3.833 ( 2.142 -2.277 -0.270) 3.138 4.067 ( -3.762 1.852 0.464) 4.219 5.374 ( 4.056 -1.740 14.003) 14.682 5.638 ( 0.685 2.083 10.327) 10.557 5.944 ( 11.952 1.074 -1.542) 12.098 6.083 ( 0.519 0.146 4.406) 4.439 6.298 ( 10.021 1.899 12.491) 16.126 6.658 ( -17.767 -3.339 0.597) 18.088 10.125 ( 5.107 0.449 0.303) 5.136 10.283 ( 0.088 0.360 -0.812) 0.893 11.414 ( -1.214 -7.559 -2.470) 8.045 11.976 ( 1.980 7.328 -2.871) 8.115 12.662 ( 8.893 7.222 -8.533) 14.285 12.690 ( -16.461 -5.491 -2.480) 17.530 ======================= Grid point 120 (41/155) ======================= q-point: ( 0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 5.058 -2.224 3.326) 6.449 1.086 ( 3.160 1.521 4.383) 5.614 1.344 ( -1.815 -3.397 3.212) 5.015 1.510 ( -1.982 6.021 2.190) 6.706 1.984 ( -8.639 -2.811 -2.836) 9.517 2.049 ( 4.133 1.262 -4.649) 6.347 2.223 ( 8.213 -1.247 -3.839) 9.152 2.285 ( -4.056 2.529 -7.622) 8.997 2.569 ( -3.551 -3.489 -2.951) 5.787 2.663 ( 5.915 2.110 -3.362) 7.123 2.771 ( -2.619 -3.793 1.851) 4.967 2.883 ( 4.804 2.220 5.767) 7.827 3.234 ( -7.633 -1.426 3.255) 8.420 3.310 ( 1.961 2.360 -0.194) 3.074 3.518 ( -1.373 -0.930 2.462) 2.968 3.582 ( 0.372 2.617 4.137) 4.909 3.897 ( 2.980 -2.694 0.199) 4.023 3.994 ( -2.478 2.619 0.893) 3.715 5.470 ( 4.296 -2.693 13.712) 14.620 5.574 ( -4.296 2.959 14.165) 15.095 6.046 ( -5.588 -0.766 1.587) 5.859 6.076 ( 4.410 0.946 2.126) 4.986 6.374 ( -17.311 -5.022 3.697) 18.399 6.535 ( 17.480 3.804 2.613) 18.079 10.211 ( 4.747 -0.156 0.049) 4.750 10.227 ( -5.525 0.662 0.157) 5.567 11.498 ( 1.468 -11.663 -2.380) 11.994 11.920 ( -2.400 11.192 -3.351) 11.927 12.353 ( -21.414 -14.725 -3.026) 26.164 12.883 ( 19.058 14.005 -5.973) 24.393 ======================= Grid point 121 (42/155) ======================= q-point: (-0.50 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -6.054 2.778 4.822) 8.223 1.097 ( -0.475 5.135 3.514) 6.240 1.418 ( 5.495 -3.837 1.391) 6.846 1.508 ( 5.528 1.782 2.649) 6.384 1.796 ( -13.986 -3.334 -1.586) 14.465 2.096 ( -3.101 1.470 -7.054) 7.844 2.189 ( -0.639 -0.440 -7.817) 7.855 2.352 ( 5.461 2.122 -1.309) 6.004 2.543 ( -0.487 -0.447 -1.753) 1.874 2.724 ( 0.556 -1.276 2.701) 3.038 2.784 ( 1.648 2.282 -0.250) 2.826 2.936 ( 5.019 3.435 0.715) 6.123 3.136 ( -5.703 -5.028 -0.164) 7.605 3.335 ( 1.035 -1.574 3.408) 3.894 3.504 ( -0.436 -0.366 0.680) 0.887 3.580 ( 0.958 0.659 4.732) 4.873 3.934 ( -1.924 3.236 0.701) 3.829 3.980 ( 3.886 -2.859 0.193) 4.828 5.461 ( -5.165 2.875 11.972) 13.352 5.541 ( -0.629 -2.871 9.911) 10.338 5.878 ( -14.795 -2.836 -1.674) 15.157 6.078 ( -2.901 -0.018 8.184) 8.683 6.205 ( -5.100 -3.138 9.457) 11.193 6.805 ( 16.638 4.444 0.511) 17.229 10.106 ( -7.500 -0.548 0.452) 7.534 10.275 ( 1.909 0.361 -0.617) 2.039 11.602 ( -13.423 -7.464 -4.108) 15.899 11.665 ( -7.927 -5.739 -1.365) 9.882 12.271 ( 2.125 -4.729 -6.740) 8.503 13.104 ( 18.607 13.438 -3.172) 23.171 ======================= Grid point 122 (43/155) ======================= q-point: (-0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -6.657 4.775 7.079) 10.827 0.990 ( -3.955 9.185 5.306) 11.321 1.512 ( -10.831 -2.678 0.048) 11.158 1.590 ( 1.070 -1.607 -0.448) 1.982 1.633 ( 6.821 -1.384 1.190) 7.061 1.950 ( -8.095 2.459 -9.723) 12.888 2.247 ( 2.736 -1.816 -2.187) 3.946 2.371 ( 0.070 2.917 3.733) 4.738 2.557 ( 1.660 2.643 -2.615) 4.072 2.678 ( -4.941 1.582 5.278) 7.401 2.808 ( 4.941 2.807 -1.234) 5.815 3.008 ( 4.614 3.008 -6.371) 8.421 3.116 ( -2.201 -6.426 -3.178) 7.499 3.365 ( 0.123 -3.843 4.247) 5.729 3.519 ( 1.455 -0.902 1.531) 2.297 3.611 ( 2.150 -1.961 3.600) 4.629 3.872 ( -2.136 3.216 -0.045) 3.861 4.076 ( 4.254 -2.985 -0.194) 5.200 5.316 ( -13.091 -1.177 1.285) 13.207 5.467 ( -7.013 -0.627 6.168) 9.360 5.653 ( -12.112 -2.216 2.575) 12.580 6.046 ( -1.586 -0.085 11.350) 11.460 6.185 ( 0.645 -3.017 20.411) 20.643 7.035 ( 13.569 4.405 0.203) 14.268 9.987 ( -7.116 -1.804 0.114) 7.342 10.252 ( -4.043 0.853 -1.425) 4.371 11.155 ( -35.851 -13.651 -5.231) 38.717 11.795 ( 4.867 -9.681 -1.171) 10.898 12.442 ( 15.750 3.688 -10.412) 19.237 13.305 ( 15.576 11.837 -1.295) 19.606 ======================= Grid point 123 (44/155) ======================= q-point: (-0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -5.602 6.525 9.760) 13.008 0.825 ( -6.216 10.166 6.129) 13.399 1.195 ( -20.071 2.327 3.625) 20.528 1.700 ( 5.068 0.676 -3.192) 6.028 1.749 ( 2.713 -0.386 -1.488) 3.119 1.834 ( -0.712 -0.185 -4.284) 4.346 2.231 ( -4.014 3.700 6.920) 8.814 2.395 ( 2.449 -5.010 -0.382) 5.590 2.532 ( -0.775 4.428 -1.103) 4.629 2.573 ( -3.379 4.420 1.068) 5.666 2.909 ( 6.902 0.955 -2.240) 7.319 2.994 ( -2.382 3.768 -10.220) 11.150 3.169 ( 2.603 -4.015 -1.795) 5.110 3.390 ( -0.725 -0.861 0.051) 1.127 3.571 ( 3.445 -2.892 4.437) 6.319 3.687 ( 3.684 -3.803 1.706) 5.563 3.813 ( -1.890 2.190 -1.058) 3.080 4.171 ( 3.686 -2.971 -0.768) 4.796 5.001 ( -23.975 -5.521 -9.093) 26.229 5.402 ( -0.501 2.392 9.170) 9.490 5.472 ( -9.431 -0.573 3.902) 10.222 5.968 ( -6.343 1.166 8.026) 10.296 6.330 ( 11.367 -7.264 38.103) 40.421 7.204 ( 9.574 4.118 0.306) 10.427 9.884 ( -6.541 -1.943 -0.956) 6.891 10.137 ( -9.935 -3.186 -1.906) 10.606 10.595 ( -43.620 -20.570 -6.260) 48.631 11.969 ( 6.384 -8.365 -2.056) 10.722 12.722 ( 21.865 11.162 -15.249) 28.900 13.447 ( 10.678 10.413 -0.007) 14.914 ======================= Grid point 124 (45/155) ======================= q-point: (-0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -3.487 9.554 10.599) 14.690 0.577 ( -16.386 5.141 5.606) 18.065 0.842 ( -10.822 12.097 12.142) 20.271 1.660 ( -3.134 2.141 -6.017) 7.115 1.843 ( 7.114 0.554 1.591) 7.311 1.894 ( 2.888 -1.019 -2.388) 3.883 2.103 ( -7.191 1.955 7.205) 10.366 2.451 ( -1.171 1.149 -1.015) 1.929 2.477 ( -1.864 1.279 0.181) 2.268 2.546 ( 3.790 -1.835 -1.370) 4.428 2.861 ( -4.581 10.968 -15.662) 19.662 3.026 ( 4.983 0.605 -0.340) 5.031 3.240 ( 2.085 -1.672 -2.311) 3.534 3.337 ( -4.062 0.870 -0.854) 4.242 3.713 ( 10.371 -1.442 3.186) 10.944 3.771 ( 1.950 -0.007 -0.861) 2.131 3.794 ( 2.219 -3.257 -0.054) 3.942 4.246 ( 2.143 -2.697 -1.186) 3.643 4.590 ( -28.047 -4.520 -10.919) 30.434 5.311 ( -6.701 -1.399 1.507) 7.010 5.428 ( 3.341 4.267 9.642) 11.060 5.839 ( -6.551 0.785 10.160) 12.114 6.749 ( 27.391 -20.040 55.842) 65.347 7.306 ( 6.211 3.515 1.922) 7.391 9.692 ( -47.009 -23.257 -5.508) 52.736 9.854 ( -16.713 -8.749 0.630) 18.875 10.149 ( -9.331 -0.931 -4.213) 10.280 12.124 ( 4.928 -2.977 -6.050) 8.352 12.987 ( 20.004 17.100 -22.639) 34.715 13.509 ( 5.363 9.017 0.675) 10.513 ======================= Grid point 125 (46/155) ======================= q-point: (-0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.280 ( -0.000 6.611 8.468) 10.743 0.407 ( -0.000 13.469 8.807) 16.093 0.661 ( -0.000 10.865 22.930) 25.374 1.615 ( -0.000 1.859 -5.385) 5.697 1.923 ( 0.000 -0.320 -3.090) 3.106 1.962 ( -0.000 0.928 1.671) 1.911 1.967 ( -0.000 0.251 6.968) 6.973 2.420 ( -0.000 0.899 0.181) 0.917 2.447 ( -0.000 2.389 -2.366) 3.362 2.634 ( 0.000 -4.884 -2.255) 5.379 2.651 ( -0.000 22.322 -15.041) 26.917 3.066 ( -0.000 1.320 0.347) 1.364 3.237 ( -0.000 2.277 -3.099) 3.845 3.315 ( 0.000 -2.413 0.606) 2.488 3.754 ( -0.000 0.184 -3.761) 3.765 3.853 ( 0.000 -3.405 -1.313) 3.649 4.025 ( -0.000 0.255 -4.832) 4.838 4.145 ( 0.000 -0.670 2.247) 2.344 4.286 ( 0.000 -2.757 -0.749) 2.857 5.259 ( 0.000 -1.046 0.893) 1.376 5.432 ( -0.000 4.172 8.272) 9.264 5.768 ( -0.000 0.119 12.033) 12.033 7.279 ( 0.000 -4.002 3.072) 5.045 7.759 ( 0.000 -74.367 70.088) 102.189 8.900 ( 0.000 -0.144 1.266) 1.275 9.793 ( 0.000 -0.624 -1.228) 1.377 10.093 ( -0.000 0.101 -3.648) 3.650 12.134 ( -0.000 14.927 -16.218) 22.042 13.050 ( -0.000 19.119 -26.297) 32.513 13.491 ( -0.000 7.068 0.621) 7.095 ======================= Grid point 128 (47/155) ======================= q-point: ( 0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 9.948 0.000 4.556) 10.942 0.956 ( 9.070 0.000 9.577) 13.190 1.420 ( -7.790 -0.000 1.331) 7.903 1.668 ( -4.529 -0.000 0.608) 4.570 1.949 ( 4.145 0.000 -8.743) 9.676 1.961 ( 16.401 0.000 -0.925) 16.427 2.134 ( -4.531 -0.000 -0.431) 4.552 2.390 ( -2.362 -0.000 -4.709) 5.268 2.553 ( 2.442 0.000 -1.811) 3.040 2.587 ( -2.511 -0.000 -0.338) 2.534 2.789 ( 7.484 0.000 7.331) 10.476 2.831 ( -7.384 -0.000 -5.762) 9.366 3.308 ( 2.471 0.000 -4.803) 5.401 3.360 ( -5.413 -0.000 5.535) 7.742 3.551 ( -3.385 -0.000 4.573) 5.689 3.624 ( -0.357 -0.000 3.042) 3.062 3.813 ( 2.238 0.000 -0.690) 2.342 4.082 ( -3.751 -0.000 0.507) 3.785 5.360 ( 3.874 0.000 14.290) 14.806 5.655 ( 0.714 0.000 10.543) 10.567 5.952 ( 11.570 0.000 -1.480) 11.664 6.085 ( 0.199 0.000 3.909) 3.914 6.314 ( 10.607 0.000 12.834) 16.650 6.630 ( -18.069 -0.000 0.601) 18.079 10.129 ( 4.745 0.000 0.278) 4.753 10.286 ( 0.449 0.000 -0.903) 1.008 11.350 ( -3.115 -0.000 -2.088) 3.750 12.038 ( 3.319 0.000 -3.010) 4.480 12.607 ( -26.022 -0.000 -0.773) 26.034 12.760 ( 17.430 0.000 -10.658) 20.430 ======================= Grid point 129 (48/155) ======================= q-point: ( 0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 6.883 -0.885 3.900) 7.961 1.101 ( 6.876 0.429 5.599) 8.878 1.308 ( -4.084 -1.113 2.859) 5.108 1.591 ( -2.217 3.202 1.727) 4.260 1.942 ( -9.081 -1.880 -3.030) 9.756 2.064 ( 1.152 0.494 -5.880) 6.012 2.209 ( 11.087 -0.477 -2.218) 11.316 2.322 ( -4.586 1.653 -9.617) 10.782 2.519 ( -1.189 -2.131 -1.118) 2.684 2.690 ( 6.015 1.314 -3.054) 6.873 2.723 ( -3.219 -2.057 0.296) 3.831 2.906 ( 5.901 0.701 6.602) 8.883 3.220 ( -8.567 -0.344 4.433) 9.652 3.336 ( -0.466 0.832 -0.640) 1.148 3.510 ( -1.210 -0.162 1.958) 2.307 3.616 ( -0.169 1.265 4.091) 4.285 3.865 ( 3.214 -1.101 -0.208) 3.404 4.025 ( -2.357 1.039 1.053) 2.783 5.439 ( 4.210 -1.027 13.650) 14.321 5.609 ( -4.119 1.215 14.496) 15.119 6.037 ( -6.520 -0.329 1.179) 6.633 6.088 ( 4.941 0.530 1.915) 5.326 6.312 ( -17.749 -2.243 4.395) 18.422 6.577 ( 17.595 1.372 2.396) 17.810 10.210 ( 4.830 0.042 -0.039) 4.830 10.235 ( -5.963 0.286 0.162) 5.972 11.363 ( 2.352 -4.563 -1.966) 5.497 12.058 ( -15.436 5.830 -2.601) 16.704 12.172 ( -9.706 -7.350 -3.111) 12.567 13.043 ( 17.344 5.330 -6.973) 19.438 ======================= Grid point 130 (49/155) ======================= q-point: (-0.60 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -4.296 1.037 5.635) 7.161 1.173 ( 3.491 3.966 2.311) 5.767 1.356 ( 6.586 -3.280 2.532) 7.781 1.560 ( 2.232 3.981 1.879) 4.936 1.742 ( -14.045 -3.367 -1.346) 14.506 2.106 ( 1.309 0.023 -5.979) 6.120 2.188 ( -6.909 0.298 -11.002) 12.995 2.384 ( 8.009 1.623 -2.213) 8.466 2.543 ( 2.557 0.379 -1.601) 3.041 2.680 ( -1.087 -3.265 4.475) 5.645 2.819 ( 5.749 1.587 -3.639) 6.987 2.985 ( 5.018 2.376 3.343) 6.481 3.075 ( -8.525 -2.420 3.241) 9.436 3.308 ( -2.416 -1.508 2.180) 3.586 3.504 ( 0.243 0.119 0.025) 0.272 3.597 ( -0.673 1.198 4.514) 4.719 3.941 ( 3.988 -1.844 -0.013) 4.394 3.978 ( -1.885 2.041 0.912) 2.924 5.480 ( -3.495 -0.935 8.015) 8.793 5.526 ( -2.664 1.333 13.217) 13.549 5.833 ( -16.311 -2.449 -1.704) 16.581 6.081 ( -4.926 0.302 11.495) 12.510 6.161 ( -1.592 -2.169 6.263) 6.817 6.863 ( 16.343 2.568 0.456) 16.550 10.099 ( -8.676 -0.329 0.522) 8.698 10.287 ( 3.522 0.952 -0.797) 3.734 11.460 ( -6.865 -7.376 -3.229) 10.581 11.547 ( -25.246 -7.956 -0.767) 26.481 12.281 ( 11.833 3.339 -6.748) 14.025 13.284 ( 16.375 8.183 -4.092) 18.758 ======================= Grid point 131 (50/155) ======================= q-point: (-0.50 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -6.096 2.789 8.328) 10.691 1.142 ( -1.113 9.101 2.072) 9.400 1.467 ( -11.884 -2.899 0.040) 12.232 1.538 ( 6.847 -3.483 1.117) 7.763 1.647 ( 4.930 1.754 0.307) 5.242 1.988 ( -8.769 2.211 -10.585) 13.922 2.198 ( 2.325 -3.268 -4.280) 5.865 2.436 ( -0.194 4.136 5.863) 7.178 2.599 ( 4.702 2.633 -2.518) 5.949 2.696 ( 0.080 0.611 2.947) 3.011 2.854 ( 1.681 2.585 -2.019) 3.686 3.003 ( -3.158 -6.838 -2.312) 7.879 3.062 ( 5.787 3.296 -2.694) 7.184 3.296 ( -0.836 -4.378 3.953) 5.958 3.514 ( 0.819 -0.166 -0.181) 0.855 3.586 ( -0.128 -0.961 4.317) 4.424 3.920 ( -2.635 2.582 0.154) 3.693 4.031 ( 4.245 -2.428 -0.171) 4.893 5.286 ( -19.007 -2.169 -4.450) 19.641 5.474 ( -2.345 1.183 10.271) 10.601 5.615 ( -10.764 -2.303 3.914) 11.683 6.044 ( 0.138 -0.178 16.923) 16.924 6.143 ( -1.888 -2.137 12.860) 13.172 7.099 ( 13.270 3.334 0.419) 13.689 9.960 ( -7.708 -1.444 0.142) 7.843 10.278 ( -3.919 2.589 -1.438) 4.912 10.924 ( -40.854 -14.107 -3.914) 43.398 11.639 ( 4.915 -8.712 -0.605) 10.021 12.524 ( 20.137 5.522 -9.984) 23.144 13.482 ( 14.160 9.430 -1.991) 17.129 ======================= Grid point 132 (51/155) ======================= q-point: (-0.40 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -5.114 4.319 11.330) 13.160 0.975 ( -10.915 7.379 1.634) 13.276 1.254 ( -8.800 4.999 2.661) 10.464 1.701 ( 6.965 -0.807 -2.010) 7.294 1.746 ( 6.190 0.446 -0.072) 6.206 1.842 ( -4.812 1.151 -6.868) 8.465 2.256 ( -0.343 -1.901 0.330) 1.960 2.347 ( -4.638 0.524 7.197) 8.578 2.600 ( -2.221 3.979 0.308) 4.568 2.658 ( -0.367 5.765 -1.468) 5.960 2.916 ( 6.288 -0.243 -2.529) 6.782 3.033 ( 0.271 -1.133 -7.916) 8.001 3.113 ( 2.700 -0.671 -0.830) 2.903 3.368 ( 4.575 -1.806 -0.872) 4.995 3.534 ( 1.747 -1.562 1.362) 2.710 3.622 ( 2.004 -4.091 3.027) 5.469 3.848 ( -3.125 2.101 -1.002) 3.897 4.123 ( 3.687 -2.811 -0.569) 4.671 4.924 ( -23.764 -3.975 -9.898) 26.048 5.417 ( -6.843 -0.323 4.359) 8.119 5.478 ( -2.044 1.292 8.948) 9.269 5.987 ( -6.141 1.222 8.551) 10.598 6.224 ( 7.512 -5.802 32.916) 34.258 7.270 ( 9.415 3.793 0.760) 10.178 9.851 ( -7.295 -2.117 -1.229) 7.695 10.055 ( -27.000 -6.358 -0.563) 27.745 10.376 ( -26.560 -7.806 -4.440) 28.037 11.804 ( 4.928 -10.761 -0.314) 11.840 12.873 ( 24.469 7.635 -14.723) 29.560 13.619 ( 10.296 10.228 -0.407) 14.519 ======================= Grid point 133 (52/155) ======================= q-point: (-0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -10.225 4.341 8.488) 13.980 0.679 ( -10.406 6.162 8.700) 14.898 1.078 ( -2.463 15.579 3.932) 16.255 1.703 ( -2.207 3.104 -4.675) 6.029 1.852 ( 7.048 0.494 1.104) 7.151 1.876 ( 3.941 -1.176 -2.333) 4.729 2.137 ( -8.660 2.228 7.760) 11.840 2.377 ( 1.116 -7.111 -0.614) 7.225 2.504 ( -4.602 2.096 0.807) 5.121 2.606 ( 0.315 6.286 -2.479) 6.764 2.997 ( -0.906 3.280 -5.861) 6.777 3.038 ( 6.345 2.818 -5.719) 8.994 3.190 ( 3.023 -3.896 -0.142) 4.933 3.371 ( -3.271 3.017 -3.475) 5.647 3.680 ( 9.353 -3.320 -0.799) 9.957 3.718 ( 7.360 -3.741 0.771) 8.292 3.790 ( -1.528 0.690 -2.040) 2.641 4.197 ( 1.677 -3.151 -0.650) 3.628 4.533 ( -24.050 -2.533 -12.063) 27.024 5.285 ( -6.840 -1.697 1.737) 7.258 5.494 ( 4.055 3.740 9.502) 10.987 5.853 ( -7.203 0.937 10.154) 12.485 6.480 ( 13.367 -13.037 46.560) 50.164 7.367 ( 5.386 3.848 1.669) 6.827 9.393 ( -46.211 -12.249 -0.738) 47.813 9.804 ( -4.095 -1.701 -0.370) 4.450 10.150 ( -6.456 0.404 -3.743) 7.473 11.977 ( 3.794 -12.349 -0.523) 12.929 13.199 ( 18.753 9.571 -21.679) 30.220 13.672 ( 5.452 10.694 0.598) 12.019 ======================= Grid point 134 (53/155) ======================= q-point: (-0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( -0.000 7.184 5.762) 9.209 0.576 ( -0.000 8.002 14.657) 16.699 0.915 ( -0.000 18.495 7.724) 20.043 1.656 ( -0.000 3.208 -4.076) 5.187 1.916 ( 0.000 -0.523 -3.181) 3.224 1.973 ( -0.000 0.433 6.894) 6.907 1.982 ( -0.000 1.518 2.023) 2.529 2.440 ( -0.000 1.497 0.271) 1.521 2.445 ( 0.000 -5.472 -0.923) 5.550 2.576 ( -0.000 2.199 -1.830) 2.860 2.930 ( -0.000 10.597 -11.880) 15.919 3.087 ( -0.000 1.669 -3.371) 3.761 3.261 ( 0.000 -4.142 0.776) 4.214 3.287 ( -0.000 3.784 -2.819) 4.719 3.758 ( -0.000 0.316 -3.724) 3.737 3.777 ( 0.000 -5.844 -0.275) 5.851 4.010 ( 0.000 -2.186 -9.846) 10.086 4.129 ( 0.000 -1.191 1.497) 1.913 4.262 ( -0.000 0.128 -5.650) 5.652 5.236 ( 0.000 -1.722 1.120) 2.054 5.509 ( -0.000 4.871 7.913) 9.292 5.771 ( -0.000 0.176 12.216) 12.217 6.837 ( 0.000 -30.184 59.151) 66.407 7.399 ( -0.000 1.712 5.931) 6.173 8.897 ( 0.000 -0.226 1.264) 1.284 9.779 ( 0.000 -1.012 -1.151) 1.532 10.095 ( -0.000 0.158 -3.609) 3.612 12.110 ( 0.000 -10.531 -1.986) 10.716 13.299 ( -0.000 11.204 -28.248) 30.389 13.637 ( -0.000 10.359 0.541) 10.373 ======================= Grid point 139 (54/155) ======================= q-point: ( 0.30 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -3.476 -0.000 5.740) 6.711 1.210 ( 4.855 0.000 2.784) 5.597 1.326 ( 7.107 0.000 2.440) 7.515 1.605 ( 2.373 0.000 1.857) 3.013 1.704 ( -15.548 -0.000 -1.587) 15.629 2.105 ( 2.680 0.000 -5.722) 6.319 2.192 ( -9.021 -0.000 -12.013) 15.023 2.398 ( 8.908 0.000 -2.901) 9.369 2.549 ( 5.169 0.000 -2.347) 5.677 2.647 ( -2.360 -0.000 5.446) 5.935 2.831 ( 6.560 0.000 -4.139) 7.756 3.005 ( 5.406 0.000 4.442) 6.997 3.056 ( -9.732 -0.000 4.626) 10.775 3.295 ( -3.830 -0.000 1.297) 4.043 3.505 ( 0.233 0.000 0.490) 0.542 3.609 ( -1.260 -0.000 3.984) 4.179 3.925 ( 4.037 0.000 -0.126) 4.039 3.995 ( -1.878 -0.000 0.975) 2.116 5.469 ( -2.510 -0.000 7.612) 8.015 5.542 ( -3.640 -0.000 13.599) 14.078 5.811 ( -17.002 -0.000 -1.861) 17.103 6.084 ( -6.687 -0.000 14.287) 15.775 6.142 ( 0.743 0.000 3.469) 3.547 6.884 ( 16.252 0.000 0.435) 16.257 10.096 ( -9.136 -0.000 0.550) 9.152 10.297 ( 4.512 0.000 -0.950) 4.611 11.396 ( -10.435 -0.000 -3.098) 10.885 11.474 ( -23.464 -0.000 -0.116) 23.464 12.315 ( 12.926 0.000 -6.904) 14.654 13.352 ( 15.535 0.000 -4.443) 16.158 ======================= Grid point 140 (55/155) ======================= q-point: (-0.60 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -5.702 0.912 8.597) 10.357 1.265 ( 2.514 5.301 1.507) 6.057 1.419 ( -15.974 -2.748 -0.112) 16.209 1.496 ( 9.996 -1.457 1.200) 10.173 1.672 ( 5.094 0.954 0.338) 5.193 2.017 ( -9.461 1.169 -11.329) 14.806 2.156 ( 2.207 -1.603 -4.537) 5.294 2.486 ( -0.492 1.718 6.369) 6.615 2.640 ( 5.642 2.156 -1.527) 6.230 2.694 ( 7.702 -0.750 -2.092) 8.016 2.882 ( -4.579 0.636 0.054) 4.623 2.917 ( -2.114 -2.885 -0.457) 3.606 3.112 ( 7.616 2.387 -1.036) 8.048 3.235 ( -2.936 -2.728 2.498) 4.722 3.509 ( 0.128 -0.315 0.996) 1.052 3.580 ( -1.650 0.029 3.216) 3.615 3.950 ( -2.948 1.006 0.223) 3.123 4.003 ( 4.275 -0.959 -0.212) 4.386 5.258 ( -20.572 -0.986 -6.073) 21.472 5.494 ( -1.260 0.988 11.379) 11.491 5.584 ( -9.961 -1.285 4.234) 10.900 6.042 ( 1.369 -0.066 22.066) 22.109 6.119 ( -3.510 -0.784 6.659) 7.568 7.137 ( 13.112 1.229 0.533) 13.181 9.944 ( -8.072 -0.551 0.155) 8.093 10.328 ( -1.510 2.703 -1.999) 3.686 10.739 ( -43.203 -7.272 -2.208) 43.866 11.538 ( 5.006 -3.423 -0.681) 6.103 12.593 ( 20.210 2.429 -9.888) 22.630 13.590 ( 13.313 3.575 -2.426) 13.997 ======================= Grid point 141 (56/155) ======================= q-point: (-0.50 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -4.801 2.188 11.253) 12.429 1.054 ( -17.335 2.780 1.573) 17.627 1.339 ( 2.066 4.575 0.935) 5.106 1.682 ( 9.291 -1.144 -0.664) 9.384 1.760 ( 5.773 1.020 -0.842) 5.922 1.864 ( -6.109 1.297 -7.474) 9.740 2.207 ( 1.260 -2.878 -2.941) 4.303 2.378 ( -8.411 2.014 10.716) 13.771 2.662 ( -4.637 3.652 0.248) 5.908 2.745 ( 2.737 4.623 -2.328) 5.855 2.897 ( 4.393 -2.137 -3.793) 6.185 2.964 ( 4.128 -4.720 -3.035) 6.966 3.147 ( 0.271 2.749 -0.035) 2.762 3.339 ( 11.236 -1.514 -3.438) 11.847 3.516 ( -0.026 -1.033 -0.341) 1.089 3.567 ( -0.130 -2.321 3.924) 4.561 3.877 ( -4.081 1.328 -1.013) 4.410 4.086 ( 3.757 -1.733 -0.478) 4.165 4.875 ( -23.093 -2.063 -10.737) 25.551 5.407 ( -9.744 -0.626 3.215) 10.280 5.499 ( 1.520 1.041 10.111) 10.278 6.006 ( -6.418 1.100 8.680) 10.852 6.148 ( 6.057 -3.500 29.847) 30.656 7.319 ( 9.261 2.228 1.029) 9.581 9.820 ( -9.891 -1.547 -1.675) 10.151 9.966 ( -37.169 -3.942 0.396) 37.380 10.298 ( -10.888 -2.731 -3.485) 11.754 11.655 ( 3.663 -6.989 -0.306) 7.897 12.967 ( 24.224 3.985 -13.655) 28.091 13.756 ( 9.987 6.262 -0.768) 11.813 ======================= Grid point 142 (57/155) ======================= q-point: (-0.40 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -11.737 2.753 5.178) 13.120 0.760 ( -7.399 3.859 12.282) 14.849 1.304 ( 1.199 11.739 -1.421) 11.885 1.756 ( -0.625 3.349 -2.755) 4.382 1.850 ( 5.596 -1.010 -1.841) 5.977 1.867 ( 6.125 0.364 0.116) 6.137 2.171 ( -9.247 1.917 7.586) 12.113 2.272 ( -0.847 -5.519 0.101) 5.584 2.535 ( -5.770 1.712 0.551) 6.044 2.715 ( 0.128 6.943 -2.752) 7.470 2.979 ( 1.250 -3.066 -2.071) 3.906 3.074 ( 4.389 -1.952 -4.709) 6.726 3.158 ( 3.485 1.670 0.625) 3.915 3.423 ( -2.196 3.182 -3.467) 5.193 3.608 ( 2.631 -4.553 2.022) 5.634 3.677 ( 15.804 -1.970 -5.146) 16.737 3.801 ( -3.050 0.627 -2.471) 3.975 4.152 ( 1.254 -2.383 -0.415) 2.724 4.505 ( -20.244 -1.052 -13.943) 24.603 5.260 ( -7.053 -1.358 2.083) 7.478 5.544 ( 4.675 2.421 9.247) 10.641 5.867 ( -7.775 0.795 10.189) 12.841 6.321 ( 8.314 -7.033 39.176) 40.662 7.423 ( 4.983 2.911 1.637) 5.999 9.259 ( -37.227 -5.302 0.201) 37.603 9.781 ( -3.101 -1.178 -0.536) 3.360 10.156 ( -6.221 0.253 -3.581) 7.183 11.781 ( 2.391 -10.973 -0.023) 11.230 13.312 ( 17.366 4.944 -18.333) 25.732 13.832 ( 5.425 8.529 0.420) 10.117 ======================= Grid point 143 (58/155) ======================= q-point: (-0.30 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -0.000 5.344 4.329) 6.877 0.683 ( -0.000 5.352 16.149) 17.013 1.200 ( -0.000 15.869 -0.681) 15.884 1.717 ( -0.000 4.375 -2.007) 4.813 1.907 ( 0.000 -0.533 -3.300) 3.342 1.980 ( -0.000 0.462 6.824) 6.840 2.008 ( -0.000 1.578 2.740) 3.162 2.324 ( 0.000 -7.711 -0.322) 7.718 2.466 ( -0.000 1.552 0.373) 1.596 2.660 ( -0.000 6.625 -2.515) 7.086 2.997 ( 0.000 -0.714 -1.953) 2.079 3.128 ( -0.000 1.132 -6.334) 6.434 3.202 ( 0.000 -1.302 0.506) 1.396 3.351 ( -0.000 3.947 -2.363) 4.600 3.676 ( 0.000 -6.253 1.465) 6.423 3.763 ( -0.000 0.347 -3.665) 3.681 3.964 ( 0.000 -3.091 -10.693) 11.131 4.108 ( 0.000 -1.366 0.394) 1.421 4.281 ( -0.000 1.717 -12.250) 12.370 5.207 ( 0.000 -1.765 1.471) 2.297 5.580 ( -0.000 3.873 7.570) 8.503 5.774 ( -0.000 0.157 12.427) 12.428 6.502 ( 0.000 -13.708 47.852) 49.777 7.445 ( -0.000 3.099 2.560) 4.020 8.893 ( 0.000 -0.217 1.262) 1.280 9.762 ( 0.000 -1.014 -1.057) 1.465 10.098 ( -0.000 0.152 -3.561) 3.564 11.904 ( 0.000 -13.365 -0.003) 13.365 13.433 ( -0.000 5.941 -22.273) 23.051 13.805 ( -0.000 10.033 0.773) 10.063 ======================= Grid point 150 (59/155) ======================= q-point: (-0.60 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -4.697 -0.000 11.124) 12.075 1.075 ( -19.076 -0.000 1.877) 19.168 1.378 ( 5.387 0.000 0.368) 5.399 1.672 ( 10.010 0.000 -0.455) 10.020 1.770 ( 5.302 0.000 -1.226) 5.442 1.876 ( -6.260 -0.000 -7.396) 9.690 2.182 ( 1.170 0.000 -3.270) 3.473 2.396 ( -8.916 -0.000 10.999) 14.159 2.699 ( -7.791 -0.000 0.176) 7.793 2.788 ( 5.726 0.000 -2.592) 6.286 2.867 ( 5.724 0.000 -4.520) 7.294 2.923 ( 3.054 0.000 -1.971) 3.635 3.173 ( -1.202 -0.000 2.696) 2.952 3.326 ( 15.269 0.000 -6.120) 16.450 3.504 ( -0.665 -0.000 0.568) 0.875 3.550 ( -1.322 -0.000 3.148) 3.414 3.888 ( -4.443 -0.000 -1.019) 4.559 4.071 ( 3.804 0.000 -0.465) 3.832 4.859 ( -22.758 -0.000 -11.099) 25.320 5.402 ( -10.231 -0.000 3.221) 10.726 5.508 ( 2.225 0.000 10.092) 10.334 6.017 ( -7.182 -0.000 8.019) 10.765 6.117 ( 6.328 0.000 29.534) 30.204 7.338 ( 9.202 0.000 1.120) 9.269 9.806 ( -12.051 -0.000 -1.913) 12.202 9.935 ( -38.192 -0.000 0.745) 38.199 10.277 ( -6.227 -0.000 -3.127) 6.968 11.596 ( 3.172 0.000 -0.396) 3.197 13.000 ( 23.849 0.000 -13.279) 27.297 13.808 ( 9.873 0.000 -0.909) 9.914 ======================= Grid point 152 (60/155) ======================= q-point: (-0.50 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -11.607 0.952 4.142) 12.361 0.802 ( -6.442 1.311 13.226) 14.770 1.436 ( 2.412 4.260 -4.091) 6.380 1.801 ( 0.966 1.963 -1.013) 2.411 1.832 ( 6.180 -0.992 -2.149) 6.617 1.875 ( 5.861 0.397 -0.086) 5.875 2.189 ( -3.209 -0.193 0.816) 3.317 2.214 ( -8.566 -1.056 6.992) 11.108 2.556 ( -6.559 0.712 0.432) 6.612 2.822 ( 0.325 6.255 -2.886) 6.897 2.913 ( 1.002 -4.948 -2.641) 5.697 3.029 ( 4.230 -2.008 -3.047) 5.587 3.193 ( 3.996 1.412 2.198) 4.774 3.463 ( -2.802 1.524 -1.652) 3.592 3.554 ( 0.853 -1.825 3.909) 4.398 3.651 ( 19.221 -1.030 -9.857) 21.626 3.808 ( -3.886 0.268 -2.569) 4.666 4.125 ( 1.146 -0.888 -0.415) 1.508 4.495 ( -18.147 -0.285 -15.226) 23.690 5.244 ( -7.225 -0.515 2.349) 7.614 5.570 ( 4.996 0.829 9.048) 10.369 5.877 ( -8.133 0.328 10.189) 13.041 6.247 ( 6.763 -2.265 35.573) 36.281 7.456 ( 4.793 1.075 1.633) 5.177 9.206 ( -33.084 -1.549 0.433) 33.123 9.768 ( -2.718 -0.438 -0.557) 2.809 10.158 ( -6.064 0.066 -3.482) 6.992 11.653 ( 1.488 -4.302 -0.163) 4.554 13.364 ( 16.632 1.578 -16.604) 23.554 13.930 ( 5.422 3.242 0.267) 6.323 ======================= Grid point 153 (61/155) ======================= q-point: (-0.40 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( -0.000 2.759 3.627) 4.558 0.748 ( -0.000 2.749 16.208) 16.439 1.401 ( -0.000 8.608 -5.722) 10.336 1.789 ( -0.000 4.102 0.254) 4.110 1.900 ( 0.000 -0.335 -3.396) 3.412 1.987 ( -0.000 0.298 6.778) 6.785 2.031 ( -0.000 1.178 3.877) 4.052 2.219 ( 0.000 -4.993 -0.619) 5.031 2.487 ( -0.000 0.989 0.449) 1.086 2.769 ( -0.000 6.635 -2.790) 7.198 2.955 ( 0.000 -3.946 -1.779) 4.329 3.088 ( 0.000 -3.425 -2.774) 4.407 3.234 ( -0.000 2.679 0.837) 2.806 3.405 ( -0.000 2.549 -1.860) 3.155 3.589 ( 0.000 -4.073 3.315) 5.251 3.768 ( -0.000 0.239 -3.596) 3.604 3.922 ( 0.000 -2.005 -11.598) 11.770 4.089 ( 0.000 -0.966 -0.703) 1.195 4.306 ( -0.000 1.178 -15.916) 15.959 5.183 ( 0.000 -1.116 1.816) 2.132 5.629 ( -0.000 2.127 7.213) 7.520 5.776 ( -0.000 0.089 12.585) 12.585 6.351 ( 0.000 -5.711 40.517) 40.917 7.487 ( -0.000 1.911 1.974) 2.747 8.890 ( 0.000 -0.130 1.260) 1.267 9.749 ( 0.000 -0.628 -0.981) 1.165 10.100 ( -0.000 0.091 -3.523) 3.524 11.719 ( 0.000 -8.656 -0.018) 8.656 13.501 ( -0.000 2.730 -18.792) 18.989 13.940 ( -0.000 6.176 0.728) 6.219 ======================= Grid point 163 (62/155) ======================= q-point: ( 0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -0.000 0.000 3.413) 3.413 0.770 ( -0.000 0.000 16.174) 16.174 1.470 ( -0.000 0.000 -7.521) 7.521 1.827 ( 0.000 -0.000 1.096) 1.096 1.897 ( 0.000 -0.000 -3.432) 3.432 1.989 ( -0.000 0.000 6.762) 6.762 2.042 ( -0.000 0.000 4.793) 4.793 2.176 ( -0.000 0.000 -1.066) 1.066 2.495 ( -0.000 0.000 0.477) 0.477 2.854 ( 0.000 -0.000 -3.152) 3.152 2.892 ( -0.000 0.000 -1.899) 1.899 3.057 ( -0.000 0.000 -2.783) 2.783 3.257 ( -0.000 0.000 2.544) 2.544 3.427 ( -0.000 0.000 -1.624) 1.624 3.555 ( 0.000 -0.000 4.153) 4.153 3.770 ( -0.000 0.000 -3.560) 3.560 3.905 ( 0.000 -0.000 -12.191) 12.191 4.080 ( 0.000 -0.000 -1.190) 1.190 4.316 ( 0.000 -0.000 -17.008) 17.008 5.174 ( -0.000 0.000 1.964) 1.964 5.647 ( -0.000 0.000 7.060) 7.060 5.776 ( -0.000 0.000 12.642) 12.642 6.306 ( 0.000 -0.000 38.216) 38.216 7.503 ( -0.000 0.000 1.832) 1.832 8.889 ( -0.000 0.000 1.260) 1.260 9.744 ( -0.000 0.000 -0.952) 0.952 10.101 ( -0.000 0.000 -3.509) 3.509 11.647 ( -0.000 0.000 -0.125) 0.125 13.523 ( -0.000 0.000 -17.699) 17.699 13.992 ( -0.000 0.000 0.676) 0.676 ======================= Grid point 210 (63/155) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 0.000 0.000 9.958) 9.958 0.473 ( 0.000 0.000 11.515) 11.515 1.111 ( 0.000 0.000 25.435) 25.435 1.458 ( 0.000 0.000 -8.334) 8.334 1.842 ( 0.000 0.000 -5.362) 5.362 1.979 ( 0.000 0.000 0.880) 0.880 2.149 ( 0.000 0.000 11.419) 11.419 2.361 ( 0.000 0.000 -2.880) 2.880 2.415 ( 0.000 0.000 0.045) 0.045 2.417 ( 0.000 0.000 2.945) 2.945 2.647 ( 0.000 0.000 -2.818) 2.818 3.084 ( 0.000 0.000 1.626) 1.626 3.149 ( 0.000 0.000 -3.417) 3.417 3.336 ( 0.000 0.000 -0.785) 0.785 3.648 ( 0.000 0.000 -6.860) 6.860 3.860 ( 0.000 0.000 -0.438) 0.438 4.008 ( 0.000 0.000 -0.944) 0.944 4.205 ( 0.000 0.000 2.852) 2.852 4.315 ( 0.000 0.000 -0.193) 0.193 5.288 ( 0.000 0.000 1.132) 1.132 5.612 ( 0.000 0.000 12.961) 12.961 6.074 ( 0.000 0.000 18.534) 18.534 7.262 ( 0.000 0.000 -1.576) 1.576 8.935 ( 0.000 0.000 2.181) 2.181 8.989 ( 0.000 0.000 -0.954) 0.954 9.764 ( 0.000 0.000 -2.119) 2.119 9.993 ( 0.000 0.000 -6.373) 6.373 11.524 ( 0.000 0.000 -5.172) 5.172 12.831 ( 0.000 0.000 -1.987) 1.987 13.451 ( 0.000 0.000 1.208) 1.208 ======================= Grid point 211 (64/155) ======================= q-point: ( 0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 5.036 -5.150 10.043) 12.359 0.674 ( 19.718 -0.989 6.668) 20.838 1.132 ( 3.254 -1.564 22.283) 22.573 1.484 ( 2.358 -1.131 -8.573) 8.963 1.844 ( 0.005 0.511 -3.944) 3.977 1.881 ( -8.323 -0.383 2.231) 8.626 2.217 ( 3.830 -1.665 7.561) 8.638 2.368 ( 0.120 -1.793 -3.181) 3.654 2.475 ( 5.828 -0.997 4.234) 7.273 2.530 ( 3.380 -1.044 -4.062) 5.387 2.607 ( 2.397 -0.008 -0.266) 2.412 3.035 ( -5.130 0.531 0.854) 5.228 3.165 ( 0.405 -0.626 -4.207) 4.273 3.351 ( 2.698 0.831 -0.233) 2.833 3.664 ( 1.677 -0.021 -5.810) 6.048 3.831 ( -2.561 1.362 0.049) 2.902 3.843 ( -8.792 1.447 2.460) 9.244 4.243 ( -1.235 0.815 -1.373) 2.018 4.561 ( 24.525 2.948 -1.588) 24.752 5.358 ( 7.792 0.463 1.643) 7.977 5.614 ( -0.628 -2.259 14.115) 14.308 6.102 ( 2.836 -0.269 17.022) 17.258 7.227 ( -4.556 -1.136 -1.313) 4.876 7.923 ( -45.489 8.538 29.542) 54.908 9.745 ( 12.514 2.999 -4.786) 13.729 10.007 ( 7.389 3.596 -6.774) 10.650 10.097 ( 48.820 14.688 -18.206) 54.135 11.601 ( -2.040 -20.659 -9.195) 22.705 12.699 ( -12.022 3.318 -1.883) 12.613 13.419 ( -5.463 -3.562 0.964) 6.593 ======================= Grid point 212 (65/155) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 6.512 -6.552 8.220) 12.366 0.945 ( 9.189 -1.591 9.832) 13.552 1.305 ( 14.971 -0.575 9.887) 17.951 1.549 ( 3.115 -1.584 -8.567) 9.252 1.741 ( -7.113 -0.223 0.934) 7.177 1.823 ( -1.487 1.928 -0.846) 2.577 2.260 ( -1.329 -2.849 1.881) 3.664 2.408 ( 1.955 -3.734 -1.869) 4.611 2.431 ( -6.012 2.543 -3.405) 7.362 2.626 ( 8.938 -1.312 7.304) 11.617 2.776 ( 8.031 -1.962 -2.194) 8.554 2.911 ( -7.821 0.559 -0.311) 7.847 3.149 ( -1.585 0.846 -3.667) 4.083 3.416 ( 4.740 1.313 0.306) 4.928 3.671 ( -1.836 3.195 -1.209) 3.878 3.739 ( -1.561 -0.099 0.251) 1.584 3.771 ( -2.305 -0.062 0.234) 2.317 4.194 ( -2.809 1.742 -0.645) 3.367 4.980 ( 26.269 5.324 -3.352) 27.012 5.526 ( 11.195 1.153 2.554) 11.540 5.636 ( 0.771 -3.643 15.892) 16.322 6.165 ( 3.466 -0.742 14.032) 14.472 7.115 ( -9.842 -0.615 2.809) 10.253 7.252 ( -25.359 5.568 31.722) 40.992 9.890 ( 8.272 1.215 -1.054) 8.427 10.086 ( 5.520 -0.244 -4.991) 7.446 10.772 ( 42.606 24.391 -16.191) 51.695 11.727 ( -3.003 -19.148 -13.034) 23.357 12.427 ( -13.664 4.216 -4.205) 14.905 13.310 ( -11.737 -6.335 0.253) 13.341 ======================= Grid point 213 (66/155) ======================= q-point: ( 0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 6.517 -5.794 7.289) 11.366 1.078 ( 5.249 -2.545 10.138) 11.697 1.548 ( -2.362 0.456 -1.024) 2.614 1.576 ( 11.029 0.708 -0.623) 11.069 1.679 ( -0.362 1.029 -3.243) 3.422 1.791 ( 2.489 1.433 -1.363) 3.179 2.209 ( -5.519 0.741 -3.893) 6.795 2.328 ( -4.884 -1.021 -3.972) 6.377 2.480 ( 2.524 -2.903 -0.529) 3.883 2.743 ( -4.557 -1.843 0.491) 4.940 2.815 ( 5.108 0.291 6.840) 8.542 2.875 ( 0.722 -2.661 -0.613) 2.824 3.134 ( 2.386 2.850 -2.578) 4.523 3.458 ( 0.838 2.068 1.674) 2.790 3.597 ( -1.424 4.152 0.229) 4.396 3.684 ( -3.292 0.522 1.723) 3.752 3.814 ( 2.797 -3.756 -0.378) 4.698 4.124 ( -3.090 2.513 0.612) 4.030 5.376 ( 23.457 5.682 -1.208) 24.165 5.683 ( 6.158 -0.741 12.008) 13.515 5.733 ( 8.574 -1.460 6.869) 11.082 6.219 ( 1.661 -0.801 11.542) 11.689 6.829 ( -14.307 5.730 30.685) 34.338 6.965 ( -13.821 -4.150 0.317) 14.434 10.016 ( 7.282 1.431 0.087) 7.422 10.193 ( 5.383 -0.882 -3.432) 6.445 11.216 ( 24.633 10.686 -7.544) 27.891 11.793 ( 0.534 -2.459 -8.965) 9.312 12.211 ( -4.852 5.054 -10.151) 12.335 13.108 ( -18.233 -8.945 -1.015) 20.334 ======================= Grid point 214 (67/155) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 6.235 -4.296 6.430) 9.934 1.167 ( 2.232 -1.249 7.369) 7.800 1.467 ( -3.682 -0.950 1.688) 4.160 1.579 ( -4.482 3.687 1.667) 6.038 1.778 ( 9.009 1.000 -5.408) 10.555 1.922 ( 10.558 0.149 -6.321) 12.307 2.077 ( -7.500 2.231 -6.751) 10.334 2.243 ( -6.942 -1.707 -6.356) 9.566 2.535 ( 2.721 0.175 -0.284) 2.741 2.648 ( -6.125 -3.089 -1.770) 7.085 2.890 ( -0.646 -3.855 2.854) 4.840 2.913 ( 3.779 1.644 6.795) 7.947 3.187 ( 6.003 2.561 -0.659) 6.560 3.403 ( -4.950 1.279 1.535) 5.338 3.577 ( 2.541 4.187 1.414) 5.098 3.633 ( -2.938 -1.475 2.011) 3.854 3.897 ( 2.780 -4.209 1.437) 5.245 4.050 ( -2.749 3.240 1.925) 4.665 5.670 ( 12.339 1.043 8.381) 14.953 5.794 ( 5.592 1.485 10.739) 12.199 5.918 ( 12.613 0.342 3.115) 12.997 6.223 ( -2.190 -0.491 9.744) 10.000 6.609 ( -5.855 4.211 23.247) 24.340 6.747 ( -14.559 -4.824 1.715) 15.433 10.124 ( 6.075 0.495 0.432) 6.110 10.256 ( 0.755 0.102 -1.488) 1.672 11.474 ( 7.339 -7.493 -5.197) 11.705 11.759 ( -0.840 10.275 -3.619) 10.926 12.243 ( 16.165 12.037 -12.124) 23.520 12.826 ( -23.300 -12.134 -3.097) 26.452 ======================= Grid point 215 (68/155) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -0.328 -1.361 5.645) 5.816 1.142 ( 0.328 1.361 5.645) 5.816 1.478 ( -0.205 -4.426 3.075) 5.393 1.478 ( 0.205 4.426 3.075) 5.393 1.925 ( -7.929 0.825 -6.735) 10.436 1.925 ( 7.929 -0.825 -6.735) 10.436 2.104 ( -9.246 -1.645 -7.897) 12.270 2.104 ( 9.246 1.645 -7.897) 12.270 2.582 ( -4.172 -2.522 -1.035) 4.984 2.582 ( 4.172 2.522 -1.035) 4.984 2.918 ( -0.933 -5.022 4.724) 6.957 2.918 ( 0.933 5.022 4.724) 6.957 3.292 ( -6.361 -0.737 1.097) 6.497 3.292 ( 6.361 0.737 1.097) 6.497 3.600 ( -3.192 -3.540 1.951) 5.150 3.600 ( 3.192 3.540 1.951) 5.150 3.975 ( 2.467 -3.893 2.392) 5.193 3.975 ( -2.467 3.893 2.392) 5.193 5.805 ( 0.171 -3.397 12.089) 12.558 5.805 ( -0.171 3.397 12.089) 12.558 6.129 ( -9.910 -1.063 5.418) 11.344 6.129 ( 9.910 1.063 5.418) 11.344 6.580 ( -6.893 -4.387 10.401) 13.227 6.580 ( 6.893 4.387 10.401) 13.227 10.218 ( -4.141 0.621 -0.038) 4.187 10.218 ( 4.141 -0.621 -0.038) 4.187 11.634 ( 2.110 -12.988 -4.792) 14.004 11.634 ( -2.110 12.988 -4.792) 14.004 12.508 ( -24.648 -14.989 -6.713) 29.619 12.508 ( 24.648 14.989 -6.713) 29.619 ======================= Grid point 222 (69/155) ======================= q-point: ( 0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 7.849 0.000 9.258) 12.137 0.931 ( 8.707 0.000 10.715) 13.806 1.301 ( 16.540 0.000 10.026) 19.341 1.536 ( 3.493 0.000 -8.937) 9.596 1.739 ( -7.087 -0.000 0.879) 7.141 1.839 ( -1.010 -0.000 -0.570) 1.159 2.233 ( -0.786 -0.000 2.905) 3.009 2.376 ( 1.990 0.000 -2.313) 3.051 2.456 ( -6.524 -0.000 -4.232) 7.776 2.614 ( 9.307 0.000 7.585) 12.007 2.760 ( 8.752 0.000 -1.544) 8.887 2.916 ( -8.245 -0.000 0.469) 8.259 3.155 ( -0.894 -0.000 -4.065) 4.162 3.427 ( 4.907 0.000 0.588) 4.942 3.702 ( 2.481 0.000 -3.815) 4.551 3.730 ( -5.047 -0.000 2.125) 5.476 3.775 ( -4.321 -0.000 0.713) 4.380 4.209 ( -2.758 -0.000 -0.721) 2.851 5.028 ( 26.366 0.000 -3.311) 26.573 5.536 ( 11.473 0.000 2.344) 11.710 5.602 ( 0.493 0.000 15.926) 15.934 6.159 ( 3.447 0.000 14.147) 14.561 7.102 ( -9.134 -0.000 -1.268) 9.222 7.307 ( -28.720 -0.000 35.611) 45.749 9.900 ( 8.202 0.000 -1.054) 8.270 10.083 ( 4.961 0.000 -5.252) 7.224 11.083 ( 44.457 0.000 -29.776) 53.507 11.455 ( -4.001 -0.000 -4.413) 5.957 12.470 ( -13.686 -0.000 -1.427) 13.760 13.256 ( -11.695 -0.000 0.419) 11.702 ======================= Grid point 223 (70/155) ======================= q-point: ( 0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 8.374 -2.226 7.968) 11.771 1.048 ( 5.632 -0.987 11.177) 12.555 1.544 ( -4.393 -0.289 -2.479) 5.052 1.594 ( 14.261 0.844 0.108) 14.286 1.687 ( 2.431 0.201 -6.275) 6.733 1.814 ( 0.080 0.962 2.507) 2.686 2.195 ( -4.137 -1.137 -1.349) 4.498 2.342 ( -5.622 1.420 -5.964) 8.319 2.439 ( 4.005 -1.772 -1.075) 4.510 2.722 ( -4.423 -0.681 1.881) 4.855 2.818 ( 4.299 0.093 6.638) 7.909 2.844 ( 0.376 -1.013 -0.145) 1.090 3.166 ( 3.026 1.025 -3.054) 4.419 3.481 ( 0.495 0.754 2.100) 2.286 3.657 ( -1.342 2.755 0.743) 3.153 3.691 ( -4.585 0.295 1.246) 4.760 3.760 ( 2.498 -2.560 -1.468) 3.866 4.154 ( -2.965 0.987 0.643) 3.190 5.459 ( 23.594 3.830 -1.420) 23.945 5.641 ( 3.284 -2.922 16.322) 16.903 5.733 ( 10.746 0.469 2.423) 11.026 6.210 ( 1.943 -0.306 11.770) 11.934 6.896 ( -15.770 2.267 25.328) 29.923 6.916 ( -14.684 -1.615 6.303) 16.061 10.033 ( 6.912 0.561 0.036) 6.935 10.182 ( 5.670 -0.422 -3.834) 6.858 11.351 ( 1.034 5.162 -4.682) 7.045 11.734 ( 21.281 -3.160 -15.908) 26.757 12.291 ( -2.464 3.286 -7.803) 8.818 13.003 ( -18.937 -3.568 -0.410) 19.274 ======================= Grid point 224 (71/155) ======================= q-point: ( 0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 8.048 -2.430 6.827) 10.830 1.149 ( 4.487 -0.879 8.394) 9.559 1.451 ( -5.299 -0.776 1.132) 5.474 1.647 ( -2.658 4.212 1.038) 5.088 1.782 ( 6.531 -0.583 -7.819) 10.204 1.925 ( 10.879 0.259 -3.466) 11.421 2.094 ( -8.100 -0.162 -4.640) 9.336 2.235 ( -5.817 0.790 -7.737) 9.712 2.529 ( 4.628 -0.989 -1.144) 4.869 2.606 ( -6.443 -1.722 -0.197) 6.672 2.834 ( -1.794 -2.501 3.108) 4.374 2.936 ( 6.192 0.838 7.630) 9.862 3.226 ( 4.594 1.890 -1.949) 5.336 3.423 ( -5.397 1.172 1.953) 5.858 3.609 ( -4.048 -0.561 1.864) 4.491 3.648 ( 1.837 3.369 1.396) 4.083 3.833 ( 2.884 -3.513 0.352) 4.559 4.093 ( -2.494 2.020 2.217) 3.901 5.679 ( 5.825 0.162 13.741) 14.925 5.821 ( 10.253 1.504 8.199) 13.214 5.922 ( 13.531 0.211 -0.201) 13.534 6.216 ( -2.271 -0.405 9.804) 10.072 6.666 ( -7.199 2.557 23.374) 24.591 6.680 ( -14.298 -3.168 2.385) 14.838 10.132 ( 5.032 0.370 0.327) 5.056 10.258 ( 1.846 0.077 -1.820) 2.594 11.351 ( -0.774 -6.395 -3.876) 7.518 11.904 ( 2.645 6.905 -4.178) 8.493 12.422 ( 20.187 8.781 -14.312) 26.257 12.657 ( -25.379 -8.059 -1.749) 26.686 ======================= Grid point 225 (72/155) ======================= q-point: ( 0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 5.724 -1.735 5.891) 8.395 1.184 ( -0.236 2.561 5.646) 6.204 1.412 ( -0.399 -3.502 3.324) 4.845 1.560 ( -1.569 5.310 2.626) 6.128 1.897 ( 3.444 -2.486 -6.533) 7.792 1.935 ( -7.687 0.167 -6.281) 9.928 2.073 ( -2.056 -1.157 -11.132) 11.379 2.143 ( 3.771 2.217 -5.306) 6.876 2.539 ( -3.029 -2.710 -0.759) 4.135 2.617 ( 5.334 1.724 -1.646) 5.842 2.842 ( -0.551 -4.129 5.079) 6.569 2.992 ( 2.273 3.759 5.317) 6.897 3.277 ( -2.688 -0.563 1.431) 3.097 3.318 ( -0.158 1.773 0.559) 1.866 3.551 ( -3.923 -2.393 0.948) 4.692 3.658 ( 2.090 3.446 2.872) 4.949 3.913 ( 2.920 -3.684 1.463) 4.924 4.033 ( -2.220 3.031 2.959) 4.782 5.752 ( 0.554 -2.752 12.405) 12.718 5.866 ( -1.392 3.761 12.156) 12.801 6.106 ( -11.350 -1.809 4.925) 12.504 6.142 ( 8.997 0.541 5.064) 10.338 6.512 ( -5.932 -3.710 11.529) 13.486 6.644 ( 7.424 3.369 9.817) 12.761 10.211 ( 3.953 -0.280 -0.096) 3.964 10.229 ( -4.478 0.655 -0.052) 4.526 11.436 ( 2.360 -10.736 -3.788) 11.626 11.831 ( -3.112 10.939 -5.528) 12.645 12.276 ( -25.199 -13.097 -4.563) 28.764 12.731 ( 22.976 11.849 -9.043) 27.387 ======================= Grid point 226 (73/155) ======================= q-point: (-0.50 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -4.000 4.292 6.455) 8.723 1.191 ( 0.773 2.008 5.881) 6.262 1.460 ( 2.682 -2.147 2.639) 4.332 1.554 ( 4.341 1.078 1.811) 4.825 1.752 ( -11.165 -2.192 -2.972) 11.760 1.923 ( -9.047 0.335 -9.453) 13.089 2.035 ( 5.706 -2.735 -7.907) 10.127 2.276 ( 8.525 2.056 -5.793) 10.510 2.528 ( -0.248 -0.762 -0.569) 0.983 2.695 ( 5.593 2.574 -2.675) 6.713 2.859 ( -1.814 -3.687 5.383) 6.772 2.974 ( 0.473 5.214 3.099) 6.084 3.155 ( -7.755 -1.261 1.815) 8.063 3.380 ( 2.949 -1.738 1.183) 3.622 3.516 ( -2.221 -3.017 0.218) 3.753 3.663 ( 1.145 2.017 3.291) 4.026 3.962 ( -2.682 3.673 2.125) 5.020 3.995 ( 3.074 -3.317 1.387) 4.731 5.643 ( -16.985 -2.173 4.830) 17.792 5.782 ( -4.695 0.012 9.722) 10.796 5.909 ( -10.206 -0.856 8.473) 13.292 6.232 ( 2.467 0.568 9.241) 9.582 6.539 ( 4.738 -4.203 22.775) 23.639 6.824 ( 14.573 4.381 1.616) 15.303 10.117 ( -7.449 -0.417 0.560) 7.481 10.257 ( 0.571 0.303 -1.314) 1.464 11.512 ( -20.060 -5.252 -4.941) 21.317 11.616 ( -0.621 -6.159 -3.396) 7.061 12.097 ( -2.707 -4.147 -10.631) 11.728 13.024 ( 21.072 11.701 -4.814) 24.579 ======================= Grid point 227 (74/155) ======================= q-point: (-0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -4.091 7.102 7.083) 10.832 1.127 ( -4.652 3.605 7.872) 9.829 1.518 ( -5.526 -2.610 0.453) 6.128 1.584 ( -2.093 0.848 -0.529) 2.319 1.653 ( 4.783 -1.766 0.637) 5.138 1.780 ( -5.459 0.202 -6.779) 8.706 2.163 ( 5.498 -4.086 -5.674) 8.895 2.379 ( 5.811 4.312 -3.139) 7.888 2.526 ( 0.420 2.765 -0.524) 2.845 2.774 ( 5.349 1.660 -2.300) 6.055 2.808 ( -6.185 -0.465 7.278) 9.562 2.924 ( -2.617 3.098 -1.091) 4.199 3.083 ( -1.352 -2.863 -0.632) 3.229 3.414 ( -1.645 -3.564 1.188) 4.101 3.536 ( 1.667 -3.106 -0.109) 3.526 3.676 ( 1.318 -0.423 2.742) 3.072 3.875 ( -3.596 3.745 0.298) 5.201 4.078 ( 3.327 -3.077 0.446) 4.554 5.289 ( -24.994 -5.023 -1.970) 25.570 5.670 ( -8.963 -1.465 5.081) 10.407 5.770 ( -4.998 2.277 15.124) 16.090 6.235 ( -1.170 1.091 11.204) 11.318 6.726 ( 11.493 -6.546 29.819) 32.620 7.039 ( 13.576 4.715 0.099) 14.372 9.990 ( -7.928 -1.728 0.173) 8.116 10.210 ( -5.095 1.240 -2.904) 5.995 11.026 ( -37.485 -12.536 -7.522) 40.236 11.760 ( 5.753 -6.843 -2.407) 9.258 12.190 ( 11.373 2.975 -14.371) 18.567 13.271 ( 17.237 10.681 -2.036) 20.380 ======================= Grid point 228 (75/155) ======================= q-point: (-0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -4.042 9.536 6.816) 12.398 0.977 ( -10.613 2.211 7.476) 13.168 1.321 ( -10.962 1.344 9.243) 14.402 1.585 ( -1.868 2.902 -7.408) 8.173 1.745 ( 6.937 0.269 0.839) 6.992 1.784 ( 2.592 -2.632 -1.386) 3.945 2.279 ( 3.563 -2.254 -2.229) 4.769 2.417 ( 2.491 2.605 1.277) 3.824 2.486 ( -0.806 5.363 -1.804) 5.715 2.653 ( -8.556 1.970 6.598) 10.983 2.817 ( -5.117 2.697 -3.921) 6.988 2.900 ( 6.247 -0.768 -2.232) 6.678 3.127 ( 2.958 -1.759 -2.260) 4.117 3.388 ( -3.851 -2.100 -0.471) 4.411 3.609 ( 3.025 -4.242 -0.258) 5.216 3.718 ( 2.042 -2.268 1.426) 3.369 3.790 ( -2.651 1.963 -1.196) 3.509 4.157 ( 2.934 -2.720 -0.523) 4.035 4.881 ( -26.298 -6.322 -3.820) 27.316 5.503 ( -10.850 -1.610 2.622) 11.278 5.699 ( -0.669 3.715 16.482) 16.908 6.181 ( -3.507 1.251 13.801) 14.294 7.044 ( 16.340 -9.272 28.988) 34.543 7.226 ( 13.173 2.806 5.256) 14.458 9.863 ( -8.767 -2.087 -1.067) 9.075 10.081 ( -9.340 -1.371 -3.920) 10.222 10.436 ( -42.174 -16.257 -9.464) 46.179 11.900 ( 6.497 0.416 -5.396) 8.456 12.406 ( 15.503 3.760 -14.877) 21.813 13.445 ( 11.789 9.838 -0.218) 15.356 ======================= Grid point 229 (76/155) ======================= q-point: (-0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -8.158 7.994 6.903) 13.346 0.710 ( -12.830 5.205 6.389) 15.249 1.178 ( -2.693 4.013 19.585) 20.173 1.520 ( -1.856 3.316 -8.083) 8.931 1.829 ( 0.895 -1.244 -4.100) 4.377 1.891 ( 9.004 0.853 2.972) 9.520 2.255 ( -5.701 2.508 7.408) 9.678 2.410 ( -0.639 2.124 -2.297) 3.193 2.493 ( -1.462 0.942 -1.098) 2.057 2.521 ( -0.429 -1.339 1.135) 1.807 2.671 ( -5.304 8.139 -4.261) 10.608 3.018 ( 4.992 -1.559 -0.588) 5.262 3.180 ( 1.703 0.839 -3.458) 3.945 3.328 ( -3.555 -1.625 -0.655) 3.963 3.662 ( -0.636 -0.482 -5.392) 5.451 3.790 ( 2.717 -3.375 0.248) 4.340 3.803 ( 5.975 -3.328 1.274) 6.957 4.219 ( 1.598 -2.139 -1.272) 2.958 4.485 ( -23.859 -5.677 -2.026) 24.608 5.344 ( -7.648 -1.165 1.803) 7.943 5.673 ( 0.955 4.384 14.496) 15.175 6.110 ( -3.157 0.721 16.959) 17.265 7.254 ( 5.059 1.521 1.318) 5.445 7.691 ( 33.896 -17.619 32.160) 49.936 9.586 ( -41.877 -15.684 -5.183) 45.017 9.837 ( -14.058 -5.653 -2.143) 15.303 10.040 ( -6.404 0.429 -6.713) 9.288 11.944 ( 4.186 13.818 -11.747) 18.613 12.642 ( 11.732 -0.772 -11.625) 16.534 13.523 ( 5.754 8.805 0.771) 10.546 ======================= Grid point 230 (77/155) ======================= q-point: (-0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -0.000 3.859 9.127) 9.909 0.568 ( -0.000 10.385 8.663) 13.524 1.135 ( -0.000 2.938 23.909) 24.089 1.479 ( -0.000 2.555 -8.205) 8.594 1.839 ( 0.000 -0.402 -5.390) 5.405 1.997 ( -0.000 1.934 1.531) 2.466 2.150 ( -0.000 0.156 11.361) 11.362 2.390 ( -0.000 2.906 -3.233) 4.347 2.424 ( -0.000 1.042 0.141) 1.051 2.509 ( -0.000 9.751 -1.703) 9.899 2.611 ( 0.000 -3.237 -1.584) 3.604 3.076 ( 0.000 -1.049 0.584) 1.201 3.170 ( -0.000 2.480 -3.361) 4.177 3.318 ( 0.000 -2.220 -0.665) 2.318 3.649 ( -0.000 0.230 -6.833) 6.837 3.835 ( 0.000 -2.972 -0.324) 2.989 3.975 ( 0.000 -3.989 -1.719) 4.343 4.194 ( 0.000 -1.397 2.534) 2.893 4.279 ( 0.000 -3.700 -0.229) 3.707 5.281 ( 0.000 -0.797 1.255) 1.487 5.648 ( -0.000 4.033 13.086) 13.694 6.076 ( -0.000 0.279 18.589) 18.592 7.280 ( -0.000 2.027 -0.942) 2.235 8.541 ( 0.000 -42.969 19.898) 47.353 8.934 ( 0.000 -0.146 2.180) 2.185 9.760 ( 0.000 -0.534 -2.075) 2.142 9.994 ( -0.000 0.151 -6.346) 6.348 11.818 ( -0.000 24.835 -14.257) 28.636 12.779 ( 0.000 -4.660 -6.694) 8.156 13.509 ( -0.000 6.791 1.098) 6.879 ======================= Grid point 233 (78/155) ======================= q-point: ( 0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 8.765 0.000 6.997) 11.216 1.142 ( 5.283 0.000 8.800) 10.264 1.444 ( -5.732 -0.000 0.927) 5.806 1.690 ( -1.745 -0.000 1.524) 2.317 1.770 ( 5.280 0.000 -9.285) 10.682 1.928 ( 10.867 0.000 -2.694) 11.196 2.088 ( -7.832 -0.000 -3.768) 8.692 2.248 ( -6.013 -0.000 -8.319) 10.264 2.516 ( 4.703 0.000 -1.439) 4.918 2.594 ( -5.694 -0.000 0.441) 5.711 2.813 ( -2.116 -0.000 3.210) 3.844 2.942 ( 6.862 0.000 7.860) 10.433 3.242 ( 4.110 0.000 -2.165) 4.646 3.434 ( -5.353 -0.000 2.071) 5.740 3.604 ( -4.949 -0.000 1.380) 5.138 3.682 ( 1.848 0.000 2.365) 3.001 3.798 ( 3.094 0.000 -0.698) 3.172 4.110 ( -2.406 -0.000 2.289) 3.320 5.679 ( 3.195 0.000 15.982) 16.298 5.834 ( 12.808 0.000 6.541) 14.381 5.924 ( 13.349 0.000 -0.914) 13.380 6.212 ( -2.445 -0.000 9.721) 10.024 6.652 ( -14.607 -0.000 1.958) 14.738 6.689 ( -7.354 -0.000 24.185) 25.278 10.135 ( 4.650 0.000 0.287) 4.659 10.258 ( 2.326 0.000 -1.986) 3.059 11.296 ( -2.835 -0.000 -3.246) 4.310 11.962 ( 4.055 0.000 -4.418) 5.997 12.497 ( 21.110 0.000 -15.319) 26.083 12.587 ( -26.813 -0.000 -1.142) 26.837 ======================= Grid point 234 (79/155) ======================= q-point: ( 0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 6.820 -0.592 6.055) 9.139 1.217 ( 3.158 1.249 6.052) 6.940 1.370 ( -2.301 -1.505 3.147) 4.179 1.637 ( -1.717 3.389 2.780) 4.707 1.851 ( -0.066 -2.450 -6.437) 6.888 1.934 ( -6.558 -0.063 -6.490) 9.227 2.066 ( -0.850 -0.055 -12.872) 12.900 2.169 ( 3.036 0.914 -3.942) 5.058 2.504 ( -2.350 -1.290 -0.609) 2.749 2.637 ( 6.208 0.673 -2.351) 6.672 2.794 ( -0.734 -1.580 5.808) 6.063 3.033 ( 3.856 1.336 6.164) 7.392 3.272 ( -3.393 -0.162 1.257) 3.622 3.341 ( -1.985 0.809 0.449) 2.190 3.526 ( -3.974 -0.711 0.163) 4.041 3.702 ( 1.119 1.742 3.847) 4.369 3.865 ( 3.501 -1.853 0.276) 3.971 4.068 ( -2.075 1.166 3.196) 3.985 5.721 ( 0.072 -1.046 12.608) 12.651 5.917 ( -0.220 2.136 13.440) 13.611 6.076 ( -14.014 -1.457 2.949) 14.395 6.148 ( 8.904 0.165 4.754) 10.095 6.469 ( -5.146 -1.421 12.645) 13.726 6.682 ( 7.634 1.249 9.631) 12.353 10.208 ( 3.976 -0.035 -0.183) 3.981 10.237 ( -4.726 0.275 -0.086) 4.735 11.312 ( 2.737 -4.183 -3.091) 5.877 11.977 ( -5.433 7.328 -5.655) 10.733 12.103 ( -24.003 -8.291 -3.502) 25.635 12.867 ( 21.790 4.489 -10.523) 24.611 ======================= Grid point 235 (80/155) ======================= q-point: (-0.60 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -1.382 1.448 7.127) 7.403 1.240 ( 2.615 3.733 4.506) 6.409 1.416 ( 4.479 -2.863 3.316) 6.265 1.594 ( 0.133 3.310 1.234) 3.535 1.709 ( -11.429 -3.079 -1.789) 11.971 1.934 ( -6.700 1.063 -10.767) 12.726 1.993 ( 3.127 -2.378 -8.616) 9.470 2.304 ( 9.383 1.274 -5.544) 10.973 2.511 ( 1.877 -1.131 -1.780) 2.823 2.730 ( 5.120 1.746 -2.796) 6.089 2.803 ( -0.612 -2.913 5.252) 6.037 3.051 ( 0.747 4.070 3.431) 5.375 3.144 ( -8.643 -0.349 3.602) 9.370 3.344 ( -0.665 -2.427 1.119) 2.754 3.488 ( -0.739 -0.596 -1.151) 1.493 3.693 ( -0.528 1.549 4.317) 4.617 3.946 ( 3.687 -2.369 0.572) 4.419 4.013 ( -2.784 2.272 2.605) 4.438 5.609 ( -17.757 -1.704 4.455) 18.387 5.790 ( -8.409 0.702 4.433) 9.532 5.892 ( -6.794 -1.073 14.823) 16.341 6.241 ( 2.929 0.515 8.382) 8.894 6.482 ( 3.871 -2.665 22.866) 23.344 6.881 ( 14.604 2.537 1.593) 14.908 10.111 ( -8.624 -0.244 0.667) 8.653 10.265 ( 2.018 0.646 -1.444) 2.565 11.392 ( -14.226 -6.650 -3.402) 16.068 11.512 ( -17.470 -6.500 -2.760) 18.843 12.104 ( 7.487 2.838 -10.983) 13.592 13.180 ( 19.383 7.108 -6.213) 21.560 ======================= Grid point 236 (81/155) ======================= q-point: (-0.50 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -2.688 4.415 8.964) 10.348 1.202 ( -3.492 5.916 3.966) 7.933 1.474 ( -6.882 -2.845 0.653) 7.476 1.569 ( 2.559 -2.730 2.040) 4.262 1.649 ( 4.452 1.346 -0.061) 4.651 1.796 ( -6.136 1.568 -8.688) 10.751 2.096 ( 4.498 -4.011 -6.075) 8.557 2.444 ( 8.082 3.419 -4.112) 9.691 2.566 ( 3.788 2.166 -1.693) 4.680 2.772 ( -0.627 -1.850 2.971) 3.556 2.814 ( 0.814 1.054 -1.175) 1.776 2.957 ( -7.898 0.660 0.640) 7.951 3.069 ( 0.994 1.637 1.546) 2.461 3.345 ( -2.183 -4.742 1.185) 5.353 3.503 ( 1.224 -1.097 -0.931) 1.889 3.671 ( -0.840 -0.112 3.876) 3.968 3.930 ( -4.295 2.867 0.762) 5.220 4.031 ( 3.646 -2.603 0.171) 4.483 5.219 ( -26.257 -3.493 -2.373) 26.595 5.648 ( -9.441 -1.112 3.247) 10.046 5.798 ( -3.789 1.136 17.907) 18.338 6.253 ( -0.706 1.117 10.783) 10.863 6.630 ( 9.224 -5.103 28.727) 30.600 7.107 ( 13.445 3.557 0.232) 13.909 9.964 ( -8.608 -1.389 0.258) 8.723 10.237 ( -4.622 2.189 -2.818) 5.839 10.828 ( -41.069 -11.445 -5.528) 42.991 11.622 ( 5.754 -8.614 -1.151) 10.423 12.270 ( 15.214 5.520 -15.310) 22.278 13.430 ( 16.310 8.472 -3.095) 18.638 ======================= Grid point 237 (82/155) ======================= q-point: (-0.40 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -3.282 6.221 9.012) 11.432 1.021 ( -11.538 4.793 3.060) 12.864 1.344 ( -6.192 1.402 6.924) 9.394 1.638 ( 0.987 3.242 -4.720) 5.811 1.740 ( 2.004 -1.386 -3.236) 4.051 1.755 ( 7.307 -0.140 1.214) 7.408 2.208 ( 3.892 -5.226 -3.772) 7.529 2.491 ( -0.018 5.278 3.678) 6.433 2.571 ( 0.215 4.990 -1.731) 5.286 2.689 ( -7.789 2.555 5.179) 9.697 2.838 ( 1.507 -0.812 -4.937) 5.225 2.894 ( 2.083 0.025 -5.163) 5.568 3.105 ( 3.263 -0.278 -0.318) 3.290 3.349 ( -1.293 -2.814 -1.223) 3.330 3.544 ( 1.892 -3.531 -0.343) 4.021 3.678 ( 0.577 -2.449 2.526) 3.565 3.825 ( -4.953 2.120 -1.397) 5.565 4.112 ( 3.125 -2.687 -0.476) 4.149 4.788 ( -26.305 -5.015 -4.535) 27.160 5.478 ( -10.599 -1.368 2.591) 10.996 5.748 ( -0.229 2.399 17.194) 17.362 6.203 ( -3.583 1.370 13.625) 14.155 6.887 ( 13.800 -9.074 32.017) 36.026 7.286 ( 10.591 3.860 0.986) 11.315 9.826 ( -10.667 -2.413 -1.112) 10.993 10.030 ( -23.484 -4.607 -2.050) 24.019 10.260 ( -25.481 -6.057 -7.111) 27.139 11.797 ( 5.579 -9.915 -0.336) 11.382 12.519 ( 18.171 8.019 -20.174) 28.310 13.606 ( 11.804 9.583 -0.844) 15.228 ======================= Grid point 238 (83/155) ======================= q-point: (-0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -15.465 2.647 5.221) 16.536 0.871 ( -1.609 10.909 6.578) 12.840 1.250 ( -1.945 4.412 13.833) 14.649 1.590 ( -0.760 5.343 -6.792) 8.675 1.806 ( 2.114 -1.480 -4.290) 5.006 1.906 ( 10.031 0.960 3.930) 10.816 2.276 ( -3.482 -1.091 3.585) 5.115 2.391 ( -3.877 -2.120 4.212) 6.105 2.526 ( -4.116 1.758 0.956) 4.577 2.549 ( -1.482 5.366 -2.396) 6.061 2.822 ( 0.895 9.321 -8.199) 12.446 2.983 ( 4.361 -2.885 -2.387) 5.748 3.177 ( 3.849 -1.310 -1.237) 4.250 3.317 ( -3.417 0.715 -2.293) 4.177 3.636 ( 3.497 -3.111 -3.708) 5.971 3.736 ( 3.638 -4.077 -0.358) 5.476 3.749 ( -1.833 -1.906 -0.607) 2.714 4.179 ( 1.914 -2.622 -1.049) 3.411 4.397 ( -22.436 -4.954 -3.316) 23.215 5.323 ( -7.509 -1.346 2.067) 7.903 5.740 ( 1.592 3.751 15.045) 15.588 6.124 ( -3.720 0.939 16.892) 17.322 7.219 ( 10.859 -8.289 19.808) 24.062 7.473 ( 15.442 -5.827 15.971) 22.967 9.376 ( -40.297 -9.595 -0.984) 41.435 9.788 ( -5.831 -1.913 -1.354) 6.285 10.050 ( -5.920 0.681 -6.362) 8.717 11.962 ( 4.052 -8.581 -1.125) 9.556 12.727 ( 12.512 9.491 -24.251) 28.892 13.683 ( 6.070 10.430 0.478) 12.077 ======================= Grid point 239 (84/155) ======================= q-point: (-0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -0.000 5.033 7.592) 9.108 0.760 ( -0.000 12.409 5.860) 13.723 1.199 ( -0.000 4.616 19.109) 19.658 1.540 ( -0.000 5.051 -7.477) 9.023 1.830 ( 0.000 -0.660 -5.467) 5.506 2.036 ( -0.000 2.794 2.909) 4.033 2.154 ( -0.000 0.318 11.249) 11.254 2.418 ( 0.000 -2.270 -1.766) 2.876 2.447 ( -0.000 1.699 0.357) 1.736 2.532 ( -0.000 0.225 -2.492) 2.502 2.733 ( -0.000 13.100 -6.741) 14.733 3.048 ( 0.000 -2.488 -1.472) 2.891 3.225 ( -0.000 4.210 -3.177) 5.274 3.267 ( 0.000 -3.815 -0.349) 3.831 3.655 ( -0.000 0.410 -6.749) 6.761 3.771 ( 0.000 -4.717 -0.149) 4.719 3.887 ( 0.000 -6.591 -3.598) 7.509 4.162 ( 0.000 -2.523 1.643) 3.010 4.220 ( 0.000 -3.231 -0.773) 3.322 5.264 ( 0.000 -1.273 1.585) 2.033 5.723 ( -0.000 4.746 13.413) 14.228 6.082 ( -0.000 0.430 18.738) 18.743 7.312 ( -0.000 1.057 2.599) 2.806 7.903 ( 0.000 -32.408 32.345) 45.787 8.931 ( 0.000 -0.228 2.179) 2.191 9.748 ( 0.000 -0.867 -1.958) 2.141 9.997 ( -0.000 0.237 -6.277) 6.281 12.041 ( -0.000 0.112 -5.540) 5.541 12.776 ( -0.000 6.250 -22.322) 23.180 13.651 ( -0.000 10.304 0.893) 10.343 ======================= Grid point 244 (85/155) ======================= q-point: ( 0.30 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -0.178 -0.000 7.170) 7.173 1.280 ( 3.012 0.000 4.487) 5.404 1.386 ( 5.532 0.000 3.442) 6.515 1.643 ( 0.726 0.000 1.671) 1.821 1.663 ( -13.821 -0.000 -2.437) 14.035 1.952 ( -7.981 -0.000 -11.499) 13.997 1.964 ( 4.192 0.000 -8.361) 9.353 2.315 ( 9.652 0.000 -5.446) 11.082 2.500 ( 2.632 0.000 -2.413) 3.571 2.749 ( 5.790 0.000 -4.202) 7.154 2.774 ( -1.152 -0.000 6.892) 6.988 3.089 ( 1.928 0.000 4.004) 4.444 3.140 ( -9.410 -0.000 3.898) 10.186 3.321 ( -2.522 -0.000 0.928) 2.687 3.485 ( -0.234 -0.000 -1.633) 1.650 3.707 ( -1.277 -0.000 4.792) 4.959 3.925 ( 4.027 0.000 0.145) 4.030 4.032 ( -2.808 -0.000 2.727) 3.914 5.595 ( -17.734 -0.000 4.577) 18.315 5.797 ( -11.282 -0.000 0.351) 11.288 5.882 ( -4.330 -0.000 19.041) 19.527 6.246 ( 3.195 0.000 7.848) 8.474 6.460 ( 3.490 0.000 23.131) 23.392 6.902 ( 14.620 0.000 1.593) 14.707 10.109 ( -9.087 -0.000 0.709) 9.114 10.272 ( 2.790 0.000 -1.595) 3.214 11.335 ( -14.658 -0.000 -2.954) 14.952 11.453 ( -18.903 -0.000 -2.089) 19.018 12.133 ( 8.862 0.000 -11.313) 14.371 13.239 ( 18.751 0.000 -6.750) 19.928 ======================= Grid point 245 (86/155) ======================= q-point: (-0.60 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -2.636 1.100 9.880) 10.285 1.305 ( -0.398 5.800 2.475) 6.318 1.422 ( -11.031 -3.563 0.601) 11.608 1.527 ( 7.159 -1.757 1.892) 7.610 1.671 ( 3.122 0.882 -0.485) 3.280 1.822 ( -5.810 1.208 -8.143) 10.076 2.045 ( 4.003 -1.948 -6.665) 8.015 2.482 ( 9.566 1.229 -4.705) 10.731 2.591 ( 7.330 0.832 -4.416) 8.598 2.741 ( -3.082 -1.380 5.814) 6.723 2.827 ( 2.808 0.434 -4.747) 5.532 2.959 ( -10.818 0.002 4.489) 11.712 3.112 ( 2.276 2.433 0.762) 3.417 3.276 ( -2.995 -3.051 1.463) 4.519 3.494 ( 0.613 -0.171 -1.521) 1.649 3.671 ( -2.267 0.031 4.600) 5.129 3.962 ( -4.695 1.095 1.006) 4.924 4.000 ( 3.918 -1.059 -0.055) 4.059 5.180 ( -26.882 -1.273 -2.453) 27.024 5.636 ( -9.566 -0.397 2.403) 9.871 5.809 ( -3.225 0.304 19.137) 19.410 6.268 ( -0.479 0.544 10.312) 10.338 6.571 ( 8.064 -1.976 28.289) 29.483 7.147 ( 13.394 1.310 0.341) 13.462 9.948 ( -9.035 -0.533 0.308) 9.055 10.274 ( -2.873 1.813 -3.459) 4.848 10.683 ( -42.640 -5.412 -3.287) 43.108 11.519 ( 5.674 -3.524 -1.217) 6.789 12.337 ( 15.736 2.365 -15.540) 22.242 13.527 ( 15.756 3.207 -3.760) 16.512 ======================= Grid point 246 (87/155) ======================= q-point: (-0.50 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -9.730 0.988 6.441) 11.710 1.129 ( -6.588 5.974 7.256) 11.478 1.361 ( -2.037 0.612 1.953) 2.888 1.664 ( 6.316 -0.308 -1.195) 6.435 1.744 ( -1.054 2.104 -5.126) 5.640 1.757 ( 7.348 0.213 1.277) 7.461 2.132 ( 3.246 -3.810 -4.491) 6.724 2.563 ( -2.307 3.316 5.720) 7.003 2.643 ( 0.797 3.872 -1.981) 4.422 2.734 ( -4.557 2.874 2.570) 5.969 2.801 ( 2.390 -3.164 -5.023) 6.399 2.878 ( 1.868 -2.129 -5.312) 6.020 3.136 ( 3.150 3.997 -0.955) 5.178 3.293 ( 1.948 -4.229 -1.379) 4.856 3.502 ( -0.243 -1.640 -0.885) 1.879 3.645 ( -0.963 -1.482 3.561) 3.976 3.854 ( -6.236 1.388 -1.289) 6.517 4.076 ( 3.349 -1.710 -0.482) 3.791 4.724 ( -26.264 -2.785 -5.124) 26.904 5.461 ( -10.474 -0.736 2.540) 10.802 5.776 ( 0.201 1.088 17.614) 17.649 6.223 ( -3.727 0.963 13.521) 14.058 6.770 ( 11.374 -5.205 31.153) 33.570 7.338 ( 9.969 2.351 0.553) 10.258 9.790 ( -14.523 -1.810 -1.149) 14.681 9.961 ( -31.810 -3.235 -1.071) 31.992 10.205 ( -10.968 -1.672 -5.830) 12.533 11.649 ( 4.263 -7.235 -0.210) 8.400 12.625 ( 19.116 4.726 -20.195) 28.206 13.734 ( 11.803 5.843 -1.379) 13.242 ======================= Grid point 247 (88/155) ======================= q-point: (-0.40 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -13.548 1.879 4.502) 14.400 1.027 ( -1.004 7.979 10.391) 13.140 1.310 ( -1.615 2.888 4.615) 5.678 1.685 ( 0.724 5.942 -4.795) 7.669 1.784 ( 3.225 -1.211 -4.405) 5.592 1.921 ( 11.163 0.827 4.948) 12.238 2.213 ( 1.383 -5.131 -1.612) 5.553 2.395 ( -11.393 1.655 10.308) 15.453 2.552 ( -6.341 1.432 1.192) 6.609 2.649 ( 0.060 6.558 -3.639) 7.500 2.925 ( 3.627 -4.237 -3.702) 6.694 2.933 ( 4.210 3.169 -8.595) 10.082 3.168 ( 3.624 1.892 -0.037) 4.088 3.346 ( 0.333 2.348 -3.986) 4.638 3.566 ( 5.681 -5.333 -3.455) 8.524 3.668 ( 1.488 -3.753 1.287) 4.238 3.740 ( -5.385 0.212 -3.109) 6.222 4.140 ( 1.920 -2.156 -0.786) 2.992 4.330 ( -20.824 -3.285 -4.975) 21.660 5.304 ( -7.483 -1.015 2.340) 7.905 5.789 ( 2.289 2.286 15.436) 15.771 6.138 ( -4.351 0.820 16.864) 17.436 7.046 ( 12.126 -10.096 31.961) 35.644 7.463 ( 6.746 1.599 2.672) 7.429 9.265 ( -33.905 -4.572 0.422) 34.215 9.764 ( -4.294 -1.193 -1.291) 4.640 10.059 ( -6.158 0.459 -6.152) 8.716 11.785 ( 2.736 -11.061 0.595) 11.410 12.872 ( 13.115 7.432 -25.069) 29.252 13.838 ( 6.331 8.257 0.179) 10.406 ======================= Grid point 248 (89/155) ======================= q-point: (-0.30 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -0.000 4.063 6.341) 7.531 0.945 ( -0.000 10.122 7.657) 12.692 1.269 ( -0.000 3.736 10.336) 10.990 1.638 ( -0.000 6.851 -5.851) 9.010 1.819 ( 0.000 -0.672 -5.564) 5.605 2.083 ( -0.000 3.019 4.060) 5.060 2.160 ( -0.000 0.381 11.164) 11.171 2.322 ( 0.000 -7.201 0.385) 7.212 2.475 ( -0.000 1.731 0.579) 1.825 2.600 ( -0.000 6.089 -3.415) 6.981 2.915 ( -0.000 7.625 -7.423) 10.642 3.000 ( 0.000 -2.851 -4.399) 5.242 3.212 ( 0.000 -1.804 0.075) 1.806 3.298 ( -0.000 4.547 -2.858) 5.371 3.662 ( -0.000 0.493 -6.595) 6.613 3.694 ( 0.000 -4.645 -0.623) 4.686 3.773 ( 0.000 -7.387 -5.444) 9.177 4.116 ( 0.000 -2.976 0.384) 3.001 4.180 ( 0.000 -1.801 -1.807) 2.551 5.243 ( 0.000 -1.255 2.009) 2.369 5.791 ( -0.000 3.597 13.689) 14.154 6.089 ( -0.000 0.405 18.926) 18.930 7.257 ( 0.000 -9.405 21.847) 23.785 7.568 ( 0.000 -8.344 14.928) 17.102 8.927 ( 0.000 -0.218 2.180) 2.190 9.734 ( 0.000 -0.870 -1.814) 2.012 10.001 ( -0.000 0.229 -6.192) 6.197 11.909 ( 0.000 -12.414 0.618) 12.430 12.924 ( -0.000 9.537 -27.689) 29.286 13.820 ( -0.000 9.961 0.713) 9.987 ======================= Grid point 255 (90/155) ======================= q-point: (-0.60 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -10.381 -0.000 5.679) 11.833 1.181 ( -7.316 -0.000 10.731) 12.987 1.365 ( 0.079 0.000 -1.970) 1.972 1.656 ( 7.282 0.000 -1.146) 7.371 1.759 ( 7.210 0.000 1.142) 7.300 1.768 ( -0.897 -0.000 -4.084) 4.182 2.099 ( 2.982 0.000 -5.026) 5.844 2.591 ( -3.529 -0.000 6.803) 7.664 2.684 ( 0.090 0.000 -1.717) 1.719 2.756 ( 8.283 0.000 -6.635) 10.613 2.772 ( -7.283 -0.000 2.957) 7.860 2.851 ( 0.871 0.000 -5.211) 5.283 3.208 ( 7.707 0.000 -5.163) 9.276 3.222 ( -0.757 -0.000 1.917) 2.062 3.490 ( -1.154 -0.000 -1.092) 1.589 3.633 ( -1.590 -0.000 3.990) 4.296 3.866 ( -6.665 -0.000 -1.218) 6.776 4.061 ( 3.459 0.000 -0.489) 3.493 4.702 ( -26.251 -0.000 -5.353) 26.792 5.455 ( -10.438 -0.000 2.516) 10.737 5.785 ( 0.378 0.000 17.738) 17.742 6.231 ( -3.823 -0.000 13.472) 14.003 6.727 ( 10.587 0.000 30.689) 32.464 7.357 ( 9.801 0.000 0.511) 9.814 9.774 ( -16.817 -0.000 -1.150) 16.856 9.935 ( -32.131 -0.000 -0.849) 32.142 10.193 ( -7.229 -0.000 -5.322) 8.977 11.588 ( 3.723 0.000 -0.393) 3.744 12.664 ( 19.255 0.000 -19.987) 27.753 13.783 ( 11.802 0.000 -1.588) 11.908 ======================= Grid point 257 (91/155) ======================= q-point: (-0.50 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -12.486 0.675 4.109) 13.162 1.117 ( -0.922 2.940 16.481) 16.766 1.341 ( -1.643 0.962 -4.356) 4.753 1.759 ( 3.089 2.029 -3.735) 5.255 1.772 ( 2.482 0.301 -4.214) 4.899 1.932 ( 12.183 0.464 6.039) 13.606 2.146 ( 1.324 -2.519 -2.929) 4.084 2.419 ( -12.931 0.943 11.159) 17.106 2.569 ( -6.813 0.622 1.023) 6.917 2.752 ( 0.215 6.028 -4.048) 7.264 2.848 ( 2.550 -5.175 -3.756) 6.885 2.934 ( 4.967 -1.102 -6.716) 8.426 3.234 ( 4.395 4.068 1.027) 6.076 3.383 ( 7.192 2.253 -8.732) 11.534 3.476 ( 1.574 -5.070 -3.203) 6.200 3.626 ( 0.318 -1.330 2.572) 2.913 3.745 ( -6.312 0.241 -3.480) 7.212 4.114 ( 1.690 -0.865 -0.638) 2.003 4.294 ( -19.717 -1.178 -6.130) 20.682 5.292 ( -7.523 -0.370 2.515) 7.941 5.814 ( 2.743 0.755 15.610) 15.867 6.148 ( -4.789 0.334 16.865) 17.535 6.933 ( 10.468 -3.650 32.307) 34.156 7.486 ( 5.302 0.854 0.934) 5.451 9.219 ( -30.562 -1.379 0.858) 30.605 9.750 ( -3.739 -0.429 -1.251) 3.966 10.064 ( -6.259 0.151 -6.012) 8.680 11.653 ( 1.790 -4.523 0.270) 4.872 12.954 ( 13.340 2.559 -24.008) 27.584 13.932 ( 6.484 3.125 -0.021) 7.198 ======================= Grid point 258 (92/155) ======================= q-point: (-0.40 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -0.000 2.162 5.587) 5.991 1.075 ( -0.000 5.751 14.189) 15.311 1.313 ( -0.000 1.783 -0.667) 1.904 1.743 ( -0.000 5.389 -4.528) 7.039 1.810 ( 0.000 -0.421 -5.645) 5.661 2.127 ( -0.000 2.167 3.297) 3.945 2.165 ( -0.000 0.259 11.124) 11.127 2.221 ( 0.000 -4.761 2.609) 5.429 2.499 ( -0.000 1.090 0.735) 1.315 2.702 ( -0.000 6.206 -3.904) 7.332 2.909 ( 0.000 -4.603 -2.674) 5.323 2.990 ( 0.000 -1.080 -7.201) 7.281 3.254 ( -0.000 6.329 0.066) 6.330 3.361 ( -0.000 3.054 -2.499) 3.946 3.618 ( 0.000 -5.408 -9.172) 10.648 3.667 ( 0.000 -4.574 -0.721) 4.631 3.670 ( -0.000 0.394 -6.373) 6.385 4.073 ( 0.000 -2.189 -0.845) 2.346 4.159 ( 0.000 -0.772 -2.738) 2.845 5.226 ( 0.000 -0.767 2.367) 2.489 5.836 ( -0.000 1.896 13.819) 13.948 6.094 ( -0.000 0.239 19.082) 19.083 7.092 ( 0.000 -8.217 32.534) 33.556 7.530 ( -0.000 0.257 2.410) 2.423 8.924 ( 0.000 -0.130 2.181) 2.185 9.722 ( 0.000 -0.540 -1.698) 1.781 10.004 ( -0.000 0.138 -6.126) 6.128 11.724 ( 0.000 -9.002 0.684) 9.028 13.045 ( -0.000 5.184 -26.256) 26.763 13.953 ( -0.000 6.064 0.558) 6.089 ======================= Grid point 268 (93/155) ======================= q-point: ( 0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -0.000 0.000 5.337) 5.337 1.122 ( -0.000 0.000 18.861) 18.861 1.328 ( 0.000 -0.000 -6.714) 6.714 1.790 ( 0.000 -0.000 -4.124) 4.124 1.806 ( 0.000 -0.000 -5.677) 5.677 2.145 ( 0.000 -0.000 -2.171) 2.171 2.167 ( -0.000 0.000 11.113) 11.113 2.182 ( -0.000 0.000 8.473) 8.473 2.508 ( -0.000 0.000 0.791) 0.791 2.775 ( 0.000 -0.000 -4.728) 4.728 2.848 ( -0.000 0.000 -2.297) 2.297 2.973 ( -0.000 0.000 -5.887) 5.887 3.330 ( -0.000 0.000 4.551) 4.551 3.387 ( -0.000 0.000 -2.334) 2.334 3.551 ( 0.000 -0.000 -19.339) 19.339 3.634 ( -0.000 0.000 3.497) 3.497 3.673 ( -0.000 0.000 -6.238) 6.238 4.054 ( -0.000 0.000 -1.397) 1.397 4.153 ( 0.000 -0.000 -3.100) 3.100 5.220 ( -0.000 0.000 2.508) 2.508 5.851 ( -0.000 0.000 13.854) 13.854 6.096 ( -0.000 0.000 19.142) 19.142 7.024 ( -0.000 0.000 33.046) 33.046 7.535 ( -0.000 0.000 0.927) 0.927 8.923 ( -0.000 0.000 2.182) 2.182 9.718 ( -0.000 0.000 -1.653) 1.653 10.005 ( -0.000 0.000 -6.101) 6.101 11.648 ( -0.000 0.000 0.411) 0.411 13.087 ( -0.000 0.000 -25.415) 25.415 14.003 ( -0.000 0.000 0.492) 0.492 ======================= Grid point 315 (94/155) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 0.000 0.000 7.635) 7.635 0.686 ( 0.000 0.000 10.436) 10.436 1.287 ( 0.000 0.000 -9.121) 9.121 1.545 ( 0.000 0.000 18.952) 18.952 1.731 ( 0.000 0.000 -5.649) 5.649 1.990 ( 0.000 0.000 0.336) 0.336 2.305 ( 0.000 0.000 -2.635) 2.635 2.381 ( 0.000 0.000 11.889) 11.889 2.415 ( 0.000 0.000 -0.077) 0.077 2.486 ( 0.000 0.000 3.709) 3.709 2.587 ( 0.000 0.000 -3.240) 3.240 3.096 ( 0.000 0.000 -1.970) 1.970 3.107 ( 0.000 0.000 0.729) 0.729 3.301 ( 0.000 0.000 -2.598) 2.598 3.498 ( 0.000 0.000 -8.204) 8.204 3.855 ( 0.000 0.000 -0.475) 0.475 4.004 ( 0.000 0.000 1.020) 1.020 4.252 ( 0.000 0.000 1.890) 1.890 4.305 ( 0.000 0.000 -0.874) 0.874 5.308 ( 0.000 0.000 0.863) 0.863 5.857 ( 0.000 0.000 11.428) 11.428 6.430 ( 0.000 0.000 16.870) 16.870 7.228 ( 0.000 0.000 -1.760) 1.760 8.970 ( 0.000 0.000 -0.904) 0.904 8.980 ( 0.000 0.000 2.224) 2.224 9.722 ( 0.000 0.000 -2.126) 2.126 9.862 ( 0.000 0.000 -6.648) 6.648 11.425 ( 0.000 0.000 -4.700) 4.700 12.793 ( 0.000 0.000 -1.749) 1.749 13.474 ( 0.000 0.000 1.056) 1.056 ======================= Grid point 316 (95/155) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 4.026 -3.287 9.667) 10.976 0.799 ( 17.686 -0.659 6.030) 18.698 1.311 ( 2.242 -1.054 -9.011) 9.345 1.509 ( -2.869 -0.705 14.965) 15.254 1.772 ( 3.827 0.758 -2.149) 4.454 1.914 ( -7.982 -1.036 1.216) 8.140 2.291 ( -2.215 -1.376 -1.954) 3.259 2.374 ( 0.174 -1.286 5.656) 5.803 2.452 ( -1.058 0.300 -3.412) 3.585 2.597 ( 9.319 -0.674 6.889) 11.609 2.618 ( 7.133 -0.378 1.124) 7.231 3.039 ( -6.417 1.294 -0.599) 6.573 3.093 ( -0.778 -0.881 -3.057) 3.275 3.328 ( 3.541 0.851 -1.942) 4.127 3.542 ( 4.262 -0.151 -6.412) 7.700 3.832 ( -2.060 1.011 -0.208) 2.304 3.871 ( -8.389 2.118 0.912) 8.700 4.237 ( -1.326 0.980 0.715) 1.797 4.545 ( 22.235 3.006 -0.526) 22.444 5.386 ( 8.492 0.362 1.163) 8.579 5.872 ( 0.375 -2.739 11.593) 11.918 6.440 ( 0.992 -0.237 16.502) 16.533 7.196 ( -4.400 -1.639 -1.704) 4.995 8.326 ( -31.515 5.806 13.784) 34.884 9.642 ( 30.037 4.973 -5.164) 30.880 9.841 ( 21.563 4.010 -7.221) 23.091 9.894 ( 4.720 -0.674 -6.713) 8.234 11.459 ( -1.661 -11.164 -5.758) 12.670 12.663 ( -11.160 5.715 -1.600) 12.640 13.437 ( -5.919 -3.427 0.843) 6.891 ======================= Grid point 317 (96/155) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 5.994 -4.931 8.426) 11.456 1.088 ( 13.163 -0.163 5.869) 14.413 1.380 ( 4.010 -2.032 -8.492) 9.609 1.497 ( 1.431 -0.466 7.460) 7.611 1.760 ( -8.360 -0.229 0.776) 8.399 1.825 ( 1.865 2.143 1.679) 3.300 2.244 ( -4.673 -0.492 -2.203) 5.189 2.344 ( -5.955 0.549 -4.253) 7.338 2.430 ( 1.060 -3.674 2.500) 4.569 2.771 ( 7.923 -1.005 6.622) 10.375 2.792 ( 9.555 -0.295 2.832) 9.970 2.898 ( -6.421 1.669 -0.858) 6.689 3.082 ( -0.648 -0.123 -3.207) 3.274 3.407 ( 5.989 1.661 -1.169) 6.324 3.617 ( 3.093 1.237 -3.313) 4.698 3.743 ( -3.681 0.335 -0.144) 3.699 3.776 ( -3.034 0.815 0.080) 3.142 4.196 ( -1.926 1.894 0.790) 2.814 4.941 ( 26.176 5.682 -1.016) 26.805 5.566 ( 11.671 1.024 1.556) 11.819 5.914 ( 1.006 -4.653 11.707) 12.638 6.467 ( 1.608 -0.518 15.933) 16.022 7.101 ( -8.704 -3.146 -1.557) 9.385 7.785 ( -24.158 7.447 20.599) 32.610 9.876 ( 9.627 1.167 -0.301) 9.702 9.980 ( 6.587 -0.820 -5.550) 8.652 10.476 ( 44.938 14.010 -13.197) 48.887 11.526 ( -3.202 -15.388 -7.758) 17.528 12.366 ( -14.669 8.505 -2.319) 17.114 13.314 ( -12.589 -5.915 0.214) 13.912 ======================= Grid point 318 (97/155) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 6.336 -5.051 7.798) 11.246 1.247 ( 4.978 -1.130 7.504) 9.075 1.469 ( 3.176 -2.435 -6.462) 7.600 1.566 ( 6.348 1.670 -1.091) 6.654 1.630 ( -5.783 -0.566 -0.845) 5.872 1.817 ( 0.505 4.490 2.181) 5.017 2.122 ( -7.111 3.449 -3.813) 8.775 2.239 ( -7.261 -2.684 -4.637) 9.024 2.488 ( 2.022 -2.539 1.026) 3.404 2.723 ( -7.211 0.022 -1.620) 7.391 2.912 ( 3.676 -1.184 3.556) 5.250 2.957 ( 6.709 -0.116 6.382) 9.261 3.098 ( 3.904 1.372 -1.211) 4.312 3.473 ( 1.928 2.463 -0.030) 3.128 3.584 ( -0.753 4.192 -1.120) 4.404 3.705 ( -3.312 -0.266 0.498) 3.360 3.804 ( 4.529 -4.597 -0.685) 6.490 4.145 ( -1.649 2.812 1.353) 3.530 5.354 ( 26.135 6.158 -0.781) 26.862 5.752 ( 10.378 1.715 1.556) 10.633 5.980 ( 1.832 -5.503 10.645) 12.122 6.496 ( 0.725 -0.518 16.004) 16.029 6.948 ( -11.753 -4.292 -1.050) 12.556 7.363 ( -17.658 6.504 22.073) 29.005 10.018 ( 7.841 1.331 0.143) 7.954 10.117 ( 7.199 -1.484 -4.163) 8.448 11.068 ( 32.183 11.347 -7.134) 34.863 11.610 ( 2.957 -9.068 -8.755) 12.947 12.064 ( -10.304 9.251 -5.283) 14.821 13.089 ( -19.485 -7.913 -0.891) 21.049 ======================= Grid point 319 (98/155) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 5.540 -4.024 7.521) 10.171 1.301 ( 0.409 -0.378 6.400) 6.424 1.492 ( -1.344 -2.091 0.608) 2.559 1.585 ( -0.942 1.583 -2.145) 2.827 1.667 ( 6.067 0.491 -4.444) 7.537 1.812 ( 3.176 2.488 -5.244) 6.617 1.973 ( -5.323 4.430 -3.388) 7.710 2.115 ( -9.185 -2.259 -6.283) 11.355 2.533 ( 2.189 0.281 -0.021) 2.207 2.622 ( -5.077 -1.833 -1.091) 5.507 2.964 ( 1.019 -3.351 4.163) 5.440 3.023 ( 2.420 3.190 4.248) 5.838 3.193 ( 6.704 0.343 1.089) 6.800 3.414 ( -5.028 1.490 -0.154) 5.246 3.588 ( 4.019 4.925 0.088) 6.358 3.656 ( -3.518 -2.593 0.450) 4.394 3.927 ( 4.268 -5.237 1.385) 6.896 4.092 ( -1.415 3.791 2.175) 4.594 5.738 ( 21.048 3.772 0.969) 21.406 5.892 ( 7.203 2.351 1.705) 7.766 6.064 ( 3.693 -4.019 7.178) 9.017 6.457 ( -8.004 -1.170 12.044) 14.508 6.809 ( -5.367 -4.188 5.401) 8.690 7.058 ( -12.087 4.836 20.835) 24.568 10.131 ( 5.896 0.352 0.251) 5.912 10.220 ( 2.847 -0.328 -2.124) 3.567 11.375 ( 7.599 -6.191 -4.652) 10.849 11.698 ( -0.906 9.748 -2.193) 10.032 12.009 ( 19.530 9.540 -11.407) 24.547 12.767 ( -25.291 -10.204 -2.698) 27.405 ======================= Grid point 320 (99/155) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 0.385 -1.381 6.473) 6.629 1.262 ( -0.385 1.381 6.473) 6.629 1.524 ( 0.893 -4.042 1.491) 4.400 1.524 ( -0.893 4.042 1.491) 4.400 1.781 ( -5.544 0.509 -7.228) 9.123 1.781 ( 5.544 -0.509 -7.228) 9.123 1.971 ( -8.034 -4.244 -5.686) 10.719 1.971 ( 8.034 4.244 -5.686) 10.719 2.568 ( -3.193 -2.193 -0.572) 3.916 2.568 ( 3.193 2.193 -0.572) 3.916 3.008 ( -0.118 -4.538 4.198) 6.183 3.008 ( 0.118 4.538 4.198) 6.183 3.307 ( -5.955 0.397 0.448) 5.985 3.307 ( 5.955 -0.397 0.448) 5.985 3.620 ( -3.896 -4.433 0.441) 5.918 3.620 ( 3.896 4.433 0.441) 5.918 4.026 ( 2.405 -4.732 2.452) 5.847 4.026 ( -2.405 4.732 2.452) 5.847 5.938 ( -0.051 -2.540 3.035) 3.958 5.938 ( 0.051 2.540 3.035) 3.958 6.237 ( -15.463 -1.937 4.465) 16.211 6.237 ( 15.463 1.937 4.465) 16.211 6.860 ( 4.795 -3.076 16.484) 17.440 6.860 ( -4.795 3.076 16.484) 17.440 10.214 ( -2.927 0.586 -0.398) 3.011 10.214 ( 2.927 -0.586 -0.398) 3.011 11.540 ( 4.231 -11.757 -4.510) 13.284 11.540 ( -4.231 11.757 -4.510) 13.284 12.382 ( -28.571 -12.143 -5.884) 31.597 12.382 ( 28.571 12.143 -5.884) 31.597 ======================= Grid point 327 (100/155) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 6.638 0.000 8.847) 11.060 1.087 ( 13.014 0.000 6.376) 14.492 1.364 ( 4.048 0.000 -8.688) 9.584 1.492 ( 2.378 0.000 7.508) 7.876 1.757 ( -8.845 -0.000 0.860) 8.887 1.845 ( 3.359 0.000 1.718) 3.773 2.232 ( -4.023 -0.000 -2.205) 4.587 2.365 ( -7.221 -0.000 -4.508) 8.513 2.389 ( 2.106 0.000 3.176) 3.811 2.763 ( 8.265 0.000 6.958) 10.803 2.789 ( 9.520 0.000 3.343) 10.090 2.912 ( -7.077 -0.000 -0.800) 7.122 3.081 ( 0.143 0.000 -3.578) 3.580 3.420 ( 6.159 0.000 -1.148) 6.265 3.626 ( 5.023 0.000 -3.847) 6.327 3.747 ( -6.474 -0.000 0.165) 6.476 3.783 ( -3.761 -0.000 0.031) 3.761 4.211 ( -1.880 -0.000 1.007) 2.133 4.992 ( 26.199 0.000 -0.857) 26.213 5.575 ( 11.857 0.000 1.501) 11.951 5.872 ( 0.918 0.000 11.126) 11.164 6.463 ( 1.629 0.000 15.945) 16.028 7.074 ( -8.765 -0.000 -1.629) 8.915 7.847 ( -25.618 -0.000 20.359) 32.723 9.885 ( 9.530 0.000 -0.338) 9.536 9.972 ( 6.138 0.000 -5.704) 8.379 10.619 ( 47.043 0.000 -18.153) 50.424 11.371 ( -3.218 -0.000 -3.946) 5.091 12.438 ( -15.550 -0.000 -1.572) 15.629 13.264 ( -12.428 -0.000 0.383) 12.434 ======================= Grid point 328 (101/155) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 7.528 -1.911 7.994) 11.146 1.233 ( 4.663 -0.469 8.306) 9.537 1.442 ( 3.782 -0.839 -7.066) 8.058 1.587 ( 7.243 0.787 -1.454) 7.429 1.623 ( -5.753 -0.287 -1.112) 5.867 1.873 ( 0.647 2.087 3.006) 3.716 2.145 ( -6.358 -0.360 -2.989) 7.035 2.228 ( -7.311 0.967 -4.890) 8.849 2.447 ( 3.315 -1.903 1.611) 4.148 2.724 ( -8.141 0.055 -1.038) 8.207 2.895 ( 2.348 -0.618 4.260) 4.903 2.956 ( 7.779 -0.043 6.597) 10.199 3.118 ( 4.539 0.786 -2.122) 5.072 3.500 ( 1.329 0.900 0.008) 1.605 3.649 ( -0.389 3.570 -0.984) 3.723 3.703 ( -3.662 0.162 0.030) 3.666 3.734 ( 3.006 -3.867 -1.151) 5.031 4.177 ( -1.475 1.077 1.657) 2.466 5.438 ( 25.896 3.372 -0.508) 26.119 5.772 ( 10.616 0.749 1.454) 10.741 5.904 ( 1.328 -3.137 9.811) 10.385 6.490 ( 0.811 -0.210 15.826) 15.848 6.897 ( -11.724 -1.741 -0.973) 11.893 7.439 ( -19.614 2.585 22.236) 29.763 10.034 ( 7.437 0.528 0.087) 7.457 10.098 ( 7.502 -0.654 -4.447) 8.745 11.246 ( 13.787 10.238 -6.146) 18.239 11.452 ( 22.310 -9.688 -11.293) 26.816 12.177 ( -10.910 3.957 -4.313) 12.381 12.996 ( -19.832 -3.176 -0.332) 20.088 ======================= Grid point 329 (102/155) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 7.148 -2.327 7.417) 10.561 1.295 ( 2.186 -0.317 6.774) 7.125 1.462 ( -2.281 -1.410 -0.172) 2.687 1.601 ( 2.673 0.440 -6.332) 6.887 1.688 ( 4.487 1.563 -1.885) 5.112 1.848 ( -0.580 1.991 -3.537) 4.100 2.017 ( -7.618 0.139 -2.838) 8.131 2.102 ( -6.084 1.395 -5.579) 8.372 2.521 ( 3.201 -1.461 0.234) 3.526 2.600 ( -5.703 -0.814 -0.647) 5.797 2.920 ( 0.253 -1.925 4.882) 5.254 3.064 ( 4.471 1.597 5.240) 7.071 3.205 ( 5.723 0.912 -0.385) 5.808 3.437 ( -5.600 1.222 -0.270) 5.738 3.623 ( -4.836 -1.301 -0.049) 5.009 3.665 ( 3.983 4.489 0.543) 6.026 3.843 ( 4.225 -4.920 0.569) 6.510 4.142 ( -1.105 2.246 2.532) 3.560 5.809 ( 17.169 5.014 2.003) 17.998 5.926 ( 7.931 1.708 1.429) 8.237 5.988 ( 6.893 -5.280 6.203) 10.671 6.437 ( -10.017 -1.195 10.233) 14.370 6.753 ( -3.853 -2.528 6.666) 8.104 7.125 ( -13.615 3.113 21.179) 25.369 10.136 ( 4.875 0.276 0.159) 4.886 10.214 ( 4.181 -0.303 -2.483) 4.872 11.277 ( -0.430 -4.970 -3.446) 6.063 11.834 ( 4.136 6.390 -2.507) 8.014 12.149 ( 21.699 6.891 -13.091) 26.262 12.625 ( -26.831 -6.845 -1.479) 27.730 ======================= Grid point 330 (103/155) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 4.979 -1.662 6.537) 8.384 1.300 ( -0.663 2.354 6.099) 6.571 1.463 ( 1.036 -3.318 1.926) 3.974 1.596 ( -1.203 4.650 0.441) 4.823 1.761 ( 4.318 -1.335 -6.040) 7.544 1.802 ( -4.205 1.249 -7.590) 8.766 1.901 ( -8.432 -4.122 -5.799) 11.033 2.041 ( 4.247 3.886 -5.272) 7.806 2.527 ( -3.050 -2.648 -0.525) 4.073 2.594 ( 3.609 0.964 -0.853) 3.832 2.944 ( -0.053 -3.200 4.930) 5.878 3.082 ( 0.626 4.241 3.787) 5.720 3.296 ( 3.359 -0.657 0.630) 3.481 3.324 ( -4.612 1.263 0.023) 4.782 3.557 ( -4.664 -3.172 -0.082) 5.641 3.693 ( 3.139 4.470 1.062) 5.564 3.947 ( 2.914 -4.931 1.736) 5.985 4.094 ( -2.088 3.468 2.927) 4.995 5.901 ( -1.551 -1.852 3.917) 4.602 5.988 ( -1.982 3.514 2.427) 4.708 6.194 ( -13.767 -3.369 3.267) 14.544 6.260 ( 16.623 0.828 5.295) 17.466 6.807 ( 5.972 -2.731 16.670) 17.917 6.918 ( -6.665 3.167 16.458) 18.036 10.206 ( 2.903 -0.340 -0.370) 2.946 10.224 ( -2.957 0.566 -0.490) 3.050 11.363 ( 3.625 -9.556 -3.492) 10.801 11.721 ( -5.010 10.228 -5.374) 12.593 12.191 ( -29.385 -10.975 -3.927) 31.613 12.561 ( 27.536 9.459 -7.903) 30.168 ======================= Grid point 331 (104/155) ======================= q-point: (-0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -3.131 4.357 7.386) 9.129 1.308 ( 1.484 0.796 5.913) 6.148 1.507 ( 0.313 -1.024 1.859) 2.145 1.572 ( 3.054 0.986 0.017) 3.209 1.673 ( -6.911 0.862 -5.191) 8.686 1.769 ( -6.951 -2.590 -6.161) 9.643 1.902 ( 6.111 -4.039 -5.088) 8.919 2.153 ( 9.423 2.310 -6.332) 11.586 2.514 ( -0.773 -1.941 -0.761) 2.223 2.651 ( 4.181 1.564 -1.838) 4.827 2.955 ( -2.328 -3.623 4.105) 5.949 3.039 ( -0.857 4.481 3.163) 5.551 3.196 ( -6.827 0.643 2.242) 7.214 3.389 ( 3.554 -1.784 -0.031) 3.977 3.513 ( -3.597 -4.087 -0.351) 5.456 3.704 ( 1.757 3.221 1.147) 3.844 4.005 ( -3.971 3.990 2.038) 5.987 4.027 ( 1.678 -3.821 1.601) 4.470 5.688 ( -24.227 -2.435 0.768) 24.361 5.855 ( -6.909 -2.112 1.726) 7.428 6.115 ( -0.777 2.328 7.501) 7.892 6.473 ( 6.594 0.747 13.780) 15.295 6.878 ( 6.500 4.100 4.561) 8.936 6.980 ( 10.250 -4.546 20.420) 23.296 10.126 ( -7.217 -0.282 0.348) 7.231 10.226 ( -1.327 0.431 -1.828) 2.300 11.423 ( -23.962 -1.967 -3.948) 24.365 11.549 ( 5.188 -7.726 -3.014) 9.782 11.888 ( -8.609 -3.834 -10.136) 13.840 12.933 ( 23.800 9.747 -4.193) 26.058 ======================= Grid point 332 (105/155) ======================= q-point: (-0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -4.599 6.841 7.227) 10.963 1.266 ( -5.663 1.141 6.216) 8.486 1.508 ( -1.205 0.784 -2.962) 3.293 1.549 ( -5.471 1.201 -2.557) 6.157 1.641 ( 5.554 0.762 -0.622) 5.640 1.739 ( -0.247 -5.046 1.322) 5.223 2.054 ( 7.053 -4.615 -4.856) 9.727 2.293 ( 8.459 3.541 -4.770) 10.336 2.518 ( 0.362 1.084 -0.432) 1.222 2.724 ( 5.295 0.096 -2.544) 5.875 2.907 ( -5.834 -2.181 2.772) 6.817 2.977 ( -4.738 2.543 4.951) 7.309 3.088 ( -3.362 0.324 1.174) 3.576 3.422 ( -3.073 -3.862 -0.116) 4.937 3.522 ( 1.623 -3.302 -1.075) 3.834 3.712 ( 1.328 0.714 1.122) 1.880 3.878 ( -5.829 4.456 -0.099) 7.338 4.092 ( 2.062 -3.547 0.873) 4.195 5.259 ( -27.437 -5.362 -1.074) 27.977 5.721 ( -10.043 -1.908 1.734) 10.368 6.064 ( -1.595 4.580 11.939) 12.886 6.505 ( -0.449 0.622 16.205) 16.223 7.024 ( 11.727 4.846 -1.045) 12.731 7.245 ( 14.793 -7.572 21.580) 27.237 9.994 ( -8.543 -1.607 0.234) 8.696 10.143 ( -6.688 1.754 -3.726) 7.854 10.888 ( -39.642 -10.794 -6.156) 41.544 11.702 ( 5.914 -0.353 -3.521) 6.892 11.936 ( 9.454 -3.256 -10.627) 14.592 13.233 ( 19.037 9.360 -1.808) 21.290 ======================= Grid point 333 (106/155) ======================= q-point: (-0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -4.835 7.659 7.070) 11.490 1.092 ( -13.345 0.203 4.785) 14.178 1.434 ( -3.221 4.747 -7.883) 9.750 1.503 ( 0.189 0.196 7.473) 7.478 1.749 ( 2.741 -2.268 -0.091) 3.559 1.798 ( 5.983 -0.446 2.478) 6.491 2.212 ( 6.438 -4.121 -3.443) 8.384 2.379 ( 5.182 4.382 -3.433) 7.605 2.496 ( -0.415 4.364 1.369) 4.592 2.787 ( -6.918 0.334 2.690) 7.430 2.799 ( -8.483 0.905 3.968) 9.408 2.863 ( 3.691 -2.377 -0.499) 4.418 3.086 ( 2.025 0.377 -2.033) 2.894 3.370 ( -5.293 -2.748 -1.268) 6.097 3.581 ( 0.428 -3.186 -2.123) 3.852 3.737 ( 0.414 -0.836 0.370) 1.003 3.769 ( -1.419 0.633 -0.884) 1.788 4.155 ( 2.099 -2.954 0.318) 3.638 4.834 ( -26.383 -6.998 -1.418) 27.332 5.545 ( -11.258 -1.473 1.704) 11.481 5.999 ( -0.936 5.421 13.238) 14.336 6.478 ( -1.539 0.879 15.844) 15.943 7.166 ( 8.533 4.645 -1.225) 9.793 7.628 ( 20.524 -11.215 20.645) 31.196 9.850 ( -10.200 -1.992 -0.180) 10.394 9.992 ( -9.009 0.373 -4.875) 10.250 10.256 ( -41.239 -11.897 -8.442) 43.743 11.763 ( 6.130 11.421 -7.884) 15.172 12.201 ( 12.947 -9.946 -6.403) 17.537 13.440 ( 12.963 9.122 -0.240) 15.853 ======================= Grid point 334 (107/155) ======================= q-point: (-0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -13.403 2.481 6.328) 15.027 0.837 ( -5.764 6.705 7.348) 11.497 1.352 ( -1.849 4.176 -8.883) 9.988 1.525 ( 2.577 1.037 14.272) 14.540 1.752 ( -2.492 -1.670 -2.740) 4.063 1.942 ( 9.016 2.223 1.858) 9.470 2.317 ( 3.350 0.477 -0.839) 3.486 2.409 ( 0.036 3.025 0.328) 3.043 2.453 ( 0.037 1.194 0.015) 1.195 2.605 ( -10.139 0.326 6.037) 11.804 2.647 ( -5.646 3.320 0.881) 6.609 3.000 ( 5.867 -3.425 -1.401) 6.936 3.118 ( 2.104 2.004 -2.770) 4.014 3.303 ( -3.784 -2.032 -1.846) 4.675 3.545 ( -3.976 0.234 -6.178) 7.351 3.795 ( 2.411 -4.039 0.410) 4.722 3.815 ( 5.067 -3.774 0.014) 6.318 4.208 ( 1.347 -2.440 0.217) 2.795 4.465 ( -21.198 -6.281 -0.583) 22.117 5.376 ( -8.245 -0.897 1.312) 8.397 5.945 ( -0.237 5.666 12.650) 13.863 6.447 ( -1.115 0.631 16.484) 16.534 7.244 ( 4.330 4.012 -1.445) 6.077 8.151 ( 27.321 -15.049 16.007) 35.059 9.502 ( -38.546 -10.362 -3.321) 40.052 9.785 ( -9.434 -2.424 -2.896) 10.162 9.906 ( -4.979 0.847 -6.649) 8.349 11.725 ( 3.261 18.254 -9.680) 20.917 12.503 ( 9.727 -12.836 -4.010) 16.597 13.537 ( 6.294 8.473 0.652) 10.575 ======================= Grid point 335 (108/155) ======================= q-point: (-0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -0.000 2.696 7.302) 7.784 0.743 ( -0.000 6.580 9.361) 11.442 1.307 ( -0.000 2.678 -9.194) 9.576 1.551 ( -0.000 0.635 18.363) 18.374 1.728 ( 0.000 -0.437 -5.652) 5.669 2.015 ( -0.000 2.824 0.273) 2.837 2.332 ( -0.000 3.196 -2.503) 4.059 2.378 ( 0.000 -0.208 10.695) 10.697 2.429 ( -0.000 1.528 1.178) 1.929 2.510 ( -0.000 1.232 0.501) 1.330 2.582 ( -0.000 0.977 -0.923) 1.344 3.084 ( 0.000 -2.856 0.100) 2.858 3.117 ( -0.000 2.499 -2.018) 3.212 3.286 ( 0.000 -1.806 -2.364) 2.974 3.500 ( -0.000 0.329 -8.146) 8.153 3.836 ( 0.000 -2.377 0.034) 2.377 3.954 ( 0.000 -5.845 -0.096) 5.846 4.235 ( 0.000 -2.051 1.668) 2.644 4.272 ( 0.000 -3.528 -0.551) 3.571 5.304 ( 0.000 -0.531 0.960) 1.097 5.900 ( -0.000 4.816 11.932) 12.867 6.433 ( -0.000 0.364 16.888) 16.892 7.254 ( -0.000 2.997 -1.634) 3.414 8.757 ( 0.000 -23.349 5.331) 23.950 8.979 ( 0.000 -0.147 2.224) 2.229 9.718 ( 0.000 -0.432 -2.087) 2.131 9.863 ( -0.000 0.219 -6.619) 6.623 11.599 ( -0.000 18.488 -8.523) 20.358 12.696 ( 0.000 -11.242 -2.697) 11.561 13.530 ( -0.000 6.576 0.968) 6.647 ======================= Grid point 338 (109/155) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 7.745 0.000 7.321) 10.658 1.292 ( 2.892 0.000 6.922) 7.501 1.450 ( -2.556 -0.000 -0.438) 2.593 1.604 ( 3.751 0.000 -7.569) 8.447 1.702 ( 4.368 0.000 -1.676) 4.678 1.868 ( -1.970 -0.000 -1.933) 2.760 2.008 ( -9.189 -0.000 -4.099) 10.062 2.124 ( -4.681 -0.000 -4.278) 6.341 2.505 ( 3.476 0.000 0.311) 3.490 2.594 ( -5.654 -0.000 -0.604) 5.686 2.904 ( 0.047 0.000 5.171) 5.171 3.076 ( 5.446 0.000 5.678) 7.868 3.214 ( 5.083 0.000 -0.962) 5.173 3.448 ( -5.718 -0.000 -0.332) 5.727 3.613 ( -5.402 -0.000 -0.149) 5.404 3.717 ( 3.974 0.000 1.236) 4.162 3.788 ( 4.257 0.000 -0.367) 4.272 4.161 ( -1.007 -0.000 2.650) 2.835 5.890 ( 23.465 0.000 0.633) 23.474 5.903 ( -0.050 -0.000 7.100) 7.100 5.943 ( 8.693 0.000 1.787) 8.875 6.426 ( -11.128 -0.000 9.422) 14.581 6.732 ( -3.087 -0.000 7.320) 7.944 7.151 ( -14.220 -0.000 21.311) 25.619 10.139 ( 4.490 0.000 0.120) 4.492 10.212 ( 4.752 0.000 -2.641) 5.437 11.234 ( -2.580 -0.000 -2.845) 3.841 11.888 ( 6.132 0.000 -2.726) 6.711 12.208 ( 21.761 0.000 -13.797) 25.767 12.566 ( -27.721 -0.000 -0.962) 27.738 ======================= Grid point 339 (110/155) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 5.954 -0.615 6.428) 8.783 1.333 ( 1.915 1.409 5.762) 6.233 1.421 ( -0.063 -1.686 2.111) 2.703 1.669 ( 1.329 4.109 -2.924) 5.215 1.732 ( 1.615 -2.342 -1.638) 3.283 1.820 ( -5.985 0.995 -7.090) 9.331 1.846 ( -7.229 -2.418 -7.288) 10.546 2.088 ( 2.420 1.649 -4.697) 5.535 2.493 ( -3.112 -1.244 -0.514) 3.391 2.602 ( 4.162 0.164 -1.282) 4.358 2.909 ( -0.139 -1.110 5.408) 5.522 3.134 ( 1.830 1.937 4.095) 4.886 3.285 ( 1.944 -0.617 0.268) 2.057 3.342 ( -4.881 0.722 -0.290) 4.943 3.523 ( -5.006 -1.045 -0.385) 5.129 3.758 ( 2.279 3.091 1.949) 4.307 3.876 ( 3.693 -3.349 0.722) 5.038 4.133 ( -1.898 1.284 3.146) 3.892 5.880 ( -3.064 -0.706 4.561) 5.540 6.049 ( 0.264 3.702 2.406) 4.423 6.133 ( -16.366 -3.752 2.260) 16.942 6.267 ( 18.115 0.188 5.546) 18.945 6.777 ( 5.741 -0.947 16.843) 17.820 6.955 ( -6.928 1.237 16.523) 17.960 10.203 ( 2.947 -0.085 -0.392) 2.974 10.230 ( -2.942 0.227 -0.577) 3.007 11.252 ( 3.277 -3.695 -2.787) 5.671 11.856 ( -3.476 5.945 -6.181) 9.253 12.045 ( -31.990 -6.338 -2.394) 32.700 12.669 ( 26.868 3.561 -9.178) 28.615 ======================= Grid point 340 (111/155) ======================= q-point: (-0.60 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 0.692 1.197 6.766) 6.905 1.342 ( 1.794 3.447 5.777) 6.963 1.475 ( 2.474 -2.253 2.711) 4.307 1.600 ( -2.344 1.663 -0.647) 2.945 1.675 ( -7.433 -1.183 -2.019) 7.793 1.750 ( -5.063 0.927 -7.808) 9.352 1.843 ( 5.399 -3.325 -6.320) 8.953 2.185 ( 9.039 1.467 -6.352) 11.144 2.479 ( 0.106 -2.022 -1.436) 2.482 2.670 ( 3.916 0.824 -2.649) 4.799 2.906 ( -2.071 -2.181 4.368) 5.304 3.112 ( -1.169 4.189 2.637) 5.086 3.208 ( -6.634 0.478 2.871) 7.244 3.352 ( 0.574 -2.660 -0.066) 2.722 3.468 ( -2.004 -1.461 -0.922) 2.646 3.753 ( 0.021 2.674 2.019) 3.351 3.961 ( 2.961 -3.369 0.889) 4.572 4.065 ( -4.268 2.589 2.400) 5.539 5.659 ( -26.079 -1.215 1.166) 26.133 5.827 ( -7.175 -1.290 1.460) 7.435 6.140 ( 1.560 0.916 7.419) 7.636 6.482 ( 5.908 0.368 14.906) 16.039 6.919 ( 8.849 -2.188 19.155) 21.213 6.934 ( 6.946 2.023 5.245) 8.936 10.122 ( -8.344 -0.157 0.419) 8.356 10.233 ( 0.027 0.485 -1.768) 1.834 11.341 ( -18.585 -5.522 -1.678) 19.460 11.446 ( -12.250 -5.349 -3.760) 13.886 11.887 ( 2.401 2.052 -10.511) 10.975 13.063 ( 22.701 5.891 -5.416) 24.070 ======================= Grid point 341 (112/155) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -2.491 6.565 6.904) 9.847 1.284 ( -7.046 1.612 4.213) 8.366 1.486 ( -1.450 -2.131 0.358) 2.603 1.600 ( -0.800 1.983 -0.417) 2.179 1.654 ( 5.485 0.716 -0.183) 5.535 1.668 ( -1.475 -1.975 -2.521) 3.526 1.979 ( 6.203 -4.621 -5.493) 9.488 2.344 ( 10.144 2.658 -5.324) 11.761 2.522 ( 3.110 -0.487 -2.410) 3.965 2.726 ( 3.305 0.254 -3.502) 4.822 2.862 ( -5.457 -2.869 2.382) 6.609 3.026 ( -6.221 3.197 4.604) 8.374 3.106 ( -2.570 1.627 2.360) 3.850 3.352 ( -3.431 -4.581 -0.176) 5.726 3.482 ( 1.496 -1.644 -1.138) 2.497 3.726 ( -0.969 0.934 1.872) 2.305 3.942 ( -6.717 3.344 0.392) 7.514 4.037 ( 2.735 -3.061 0.387) 4.123 5.187 ( -28.843 -3.444 -1.054) 29.067 5.693 ( -9.640 -1.501 1.796) 9.920 6.124 ( -1.159 2.803 13.189) 13.533 6.515 ( -0.050 0.529 16.252) 16.260 7.092 ( 11.044 2.857 1.519) 11.508 7.137 ( 12.782 -5.031 18.478) 23.024 9.970 ( -9.272 -1.293 0.319) 9.367 10.173 ( -6.013 1.944 -3.541) 7.243 10.728 ( -41.837 -8.755 -4.412) 42.970 11.600 ( 7.398 -8.611 -0.911) 11.389 11.976 ( 10.600 4.876 -13.938) 18.177 13.372 ( 18.649 7.375 -2.752) 20.242 ======================= Grid point 342 (113/155) ======================= q-point: (-0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -11.065 2.784 3.755) 12.012 1.104 ( -6.142 5.872 4.855) 9.787 1.495 ( 0.792 -0.805 5.741) 5.851 1.531 ( -1.384 6.546 -4.604) 8.121 1.699 ( 1.142 -3.306 -0.641) 3.556 1.802 ( 10.122 0.585 2.964) 10.564 2.131 ( 6.250 -5.606 -3.760) 9.199 2.461 ( 6.114 5.381 -3.445) 8.843 2.562 ( 1.635 3.629 -0.950) 4.092 2.773 ( -5.971 -2.065 -0.792) 6.368 2.799 ( 2.658 -1.751 -1.940) 3.727 2.850 ( -8.831 1.557 6.244) 10.927 3.096 ( 2.053 0.940 -0.678) 2.358 3.322 ( -3.519 -3.162 -1.468) 4.954 3.525 ( 0.980 -3.329 -1.402) 3.743 3.716 ( -0.483 -1.400 1.454) 2.075 3.795 ( -6.477 2.104 -1.647) 7.006 4.107 ( 2.441 -2.877 -0.100) 3.774 4.731 ( -26.861 -5.598 -1.795) 27.497 5.522 ( -10.811 -1.309 1.848) 11.046 6.077 ( -0.703 4.005 15.152) 15.688 6.494 ( -1.430 0.968 15.600) 15.696 7.238 ( 8.319 3.831 0.414) 9.168 7.450 ( 16.461 -9.991 18.796) 26.909 9.814 ( -12.130 -2.261 0.047) 12.339 9.977 ( -20.806 -2.662 -3.334) 21.239 10.120 ( -26.007 -4.622 -6.810) 27.278 11.794 ( 6.834 -7.531 0.175) 10.171 12.153 ( 13.124 4.714 -16.467) 21.578 13.589 ( 13.397 8.830 -0.824) 16.066 ======================= Grid point 343 (114/155) ======================= q-point: (-0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -13.426 1.692 5.129) 14.471 0.971 ( -2.717 8.894 4.969) 10.544 1.446 ( -1.078 7.082 -7.873) 10.644 1.535 ( 2.210 0.134 13.414) 13.595 1.723 ( -0.834 -1.837 -3.423) 3.973 1.980 ( 10.488 2.252 2.536) 11.023 2.278 ( 5.384 -4.815 -0.716) 7.258 2.479 ( 1.055 5.479 -2.758) 6.224 2.494 ( -4.445 3.183 2.841) 6.161 2.615 ( -11.804 1.118 7.271) 13.908 2.712 ( -0.597 4.333 -3.183) 5.410 2.934 ( 4.982 -4.505 -2.586) 7.198 3.145 ( 3.835 0.907 -2.005) 4.422 3.275 ( -3.573 -0.839 -2.013) 4.186 3.544 ( -2.165 -0.764 -5.327) 5.800 3.711 ( -0.030 -5.263 -0.923) 5.343 3.762 ( 1.234 -3.046 0.650) 3.350 4.165 ( 1.486 -2.749 -0.332) 3.143 4.362 ( -19.840 -6.165 -0.928) 20.797 5.359 ( -7.934 -1.027 1.537) 8.146 6.036 ( 0.088 5.220 14.383) 15.301 6.459 ( -1.360 0.818 16.416) 16.493 7.315 ( 4.275 4.479 -0.686) 6.230 7.881 ( 20.164 -17.115 17.495) 31.711 9.359 ( -35.236 -6.975 -0.662) 35.926 9.754 ( -6.069 -1.535 -1.950) 6.557 9.920 ( -5.601 0.907 -6.523) 8.645 11.926 ( 4.556 2.176 -2.891) 5.818 12.339 ( 8.673 -2.942 -14.642) 17.270 13.691 ( 6.816 10.025 0.351) 12.128 ======================= Grid point 344 (115/155) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -0.000 3.697 6.572) 7.541 0.873 ( -0.000 8.954 6.519) 11.076 1.380 ( -0.000 6.379 -8.838) 10.900 1.559 ( -0.000 0.175 17.025) 17.026 1.718 ( 0.000 -0.721 -5.662) 5.708 2.069 ( -0.000 3.605 0.005) 3.605 2.378 ( -0.000 0.189 10.398) 10.400 2.386 ( -0.000 1.920 -1.107) 2.216 2.458 ( -0.000 2.037 1.642) 2.617 2.490 ( 0.000 -1.021 -1.635) 1.928 2.659 ( -0.000 7.075 -1.714) 7.280 3.021 ( 0.000 -4.645 -1.334) 4.833 3.173 ( -0.000 4.269 -2.159) 4.783 3.245 ( 0.000 -3.129 -1.761) 3.591 3.508 ( -0.000 0.637 -7.947) 7.973 3.776 ( 0.000 -5.431 0.657) 5.470 3.839 ( 0.000 -7.371 -1.757) 7.578 4.188 ( 0.000 -3.673 1.065) 3.824 4.211 ( 0.000 -3.725 -0.331) 3.740 5.292 ( 0.000 -0.846 1.204) 1.472 5.991 ( -0.000 5.951 13.287) 14.559 6.441 ( -0.000 0.576 16.941) 16.951 7.316 ( -0.000 4.458 -1.197) 4.616 8.331 ( 0.000 -26.940 13.297) 30.043 8.975 ( 0.000 -0.227 2.225) 2.236 9.709 ( 0.000 -0.702 -1.983) 2.103 9.868 ( -0.000 0.344 -6.544) 6.553 11.896 ( -0.000 14.508 -8.471) 16.800 12.484 ( 0.000 -12.150 -8.528) 14.844 13.668 ( -0.000 10.038 0.777) 10.068 ======================= Grid point 349 (116/155) ======================= q-point: ( 0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 2.118 0.000 6.364) 6.707 1.383 ( 2.291 0.000 6.009) 6.431 1.449 ( 3.988 0.000 3.004) 4.993 1.615 ( -11.143 -0.000 -2.416) 11.402 1.657 ( -2.964 -0.000 -0.633) 3.031 1.778 ( -3.774 -0.000 -5.924) 7.024 1.801 ( 5.610 0.000 -8.044) 9.807 2.197 ( 8.823 0.000 -6.340) 10.865 2.461 ( 0.325 0.000 -1.621) 1.653 2.677 ( 3.947 0.000 -3.061) 4.995 2.889 ( -2.040 -0.000 4.517) 4.957 3.154 ( -0.542 -0.000 2.629) 2.685 3.207 ( -6.890 -0.000 3.117) 7.562 3.325 ( -1.185 -0.000 -0.347) 1.234 3.458 ( -1.224 -0.000 -1.130) 1.666 3.778 ( -1.120 -0.000 2.636) 2.864 3.930 ( 3.868 0.000 0.323) 3.882 4.086 ( -4.267 -0.000 2.523) 4.957 5.649 ( -26.617 -0.000 1.435) 26.656 5.816 ( -7.442 -0.000 1.278) 7.551 6.147 ( 2.517 0.000 7.342) 7.761 6.485 ( 5.710 0.000 15.282) 16.314 6.898 ( 8.282 0.000 20.215) 21.846 6.954 ( 7.072 0.000 4.047) 8.148 10.121 ( -8.789 -0.000 0.447) 8.800 10.238 ( 0.640 0.000 -1.808) 1.918 11.292 ( -15.601 -0.000 -1.254) 15.651 11.399 ( -17.567 -0.000 -3.315) 17.877 11.909 ( 4.255 0.000 -10.874) 11.677 13.111 ( 22.294 0.000 -5.886) 23.058 ======================= Grid point 350 (117/155) ======================= q-point: (-0.60 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -4.408 0.589 6.198) 7.629 1.356 ( -4.232 6.000 3.016) 7.938 1.445 ( -3.169 -3.281 1.652) 4.852 1.566 ( 3.793 -2.684 2.174) 5.130 1.663 ( 5.013 0.324 0.039) 5.023 1.706 ( -2.616 3.045 -4.316) 5.894 1.914 ( 5.682 -2.880 -6.469) 9.079 2.375 ( 11.284 1.033 -5.664) 12.668 2.510 ( 4.823 -0.669 -3.631) 6.074 2.731 ( 2.213 0.214 -4.307) 4.847 2.828 ( -5.472 -1.113 2.639) 6.176 3.068 ( -8.041 1.656 5.950) 10.139 3.131 ( -1.383 1.132 1.115) 2.107 3.289 ( -3.242 -2.609 -0.059) 4.162 3.466 ( 0.998 -0.434 -1.287) 1.685 3.739 ( -2.582 0.465 2.423) 3.572 3.980 ( -7.142 1.261 0.649) 7.282 4.000 ( 3.394 -1.266 0.059) 3.623 5.150 ( -29.706 -1.185 -0.893) 29.744 5.676 ( -9.308 -0.587 1.745) 9.488 6.154 ( -0.872 0.929 13.990) 14.048 6.521 ( 0.262 0.219 16.160) 16.164 7.064 ( 9.776 -2.072 21.125) 23.369 7.140 ( 12.429 1.254 -1.433) 12.574 9.955 ( -9.726 -0.496 0.372) 9.746 10.201 ( -4.942 1.158 -3.843) 6.366 10.622 ( -42.572 -3.743 -2.777) 42.826 11.494 ( 7.004 -3.685 -1.238) 8.010 12.037 ( 11.358 2.156 -14.223) 18.329 13.456 ( 18.424 2.783 -3.346) 18.931 ======================= Grid point 351 (118/155) ======================= q-point: (-0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -13.168 0.047 2.890) 13.482 1.235 ( -3.447 7.894 2.450) 8.955 1.463 ( 1.030 -3.107 7.899) 8.550 1.634 ( 0.645 4.200 -2.734) 5.053 1.655 ( 1.354 -0.753 -2.843) 3.238 1.814 ( 11.502 0.805 3.699) 12.109 2.043 ( 5.433 -4.925 -4.445) 8.575 2.541 ( 8.425 4.185 -3.751) 10.128 2.609 ( 4.700 2.163 -3.655) 6.334 2.729 ( -5.198 -2.788 -0.434) 5.915 2.765 ( 1.499 -2.097 -4.492) 5.179 2.885 ( -11.052 2.090 8.069) 13.843 3.117 ( 1.373 1.591 -0.983) 2.321 3.270 ( -1.345 -3.145 -1.239) 3.638 3.483 ( -0.012 -1.729 -1.054) 2.025 3.698 ( -1.966 -0.782 2.017) 2.923 3.826 ( -8.510 1.567 -1.586) 8.797 4.068 ( 2.842 -1.788 -0.316) 3.372 4.659 ( -27.420 -3.101 -1.996) 27.667 5.505 ( -10.452 -0.747 1.903) 10.650 6.126 ( -0.496 2.035 16.759) 16.890 6.508 ( -1.327 0.675 15.264) 15.337 7.264 ( 9.713 -1.763 14.235) 17.323 7.344 ( 11.931 -1.888 4.433) 12.867 9.781 ( -15.716 -1.654 0.324) 15.806 9.925 ( -29.956 -2.716 -2.494) 30.182 10.087 ( -11.411 -0.619 -5.991) 12.903 11.649 ( 5.442 -7.791 0.280) 9.507 12.247 ( 14.469 4.894 -17.523) 23.245 13.707 ( 13.741 5.361 -1.315) 14.808 ======================= Grid point 352 (119/155) ======================= q-point: (-0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -11.487 1.231 4.552) 12.417 1.113 ( -2.494 8.559 1.496) 9.039 1.506 ( 1.113 -1.544 10.798) 10.964 1.583 ( 0.376 7.033 -3.912) 8.056 1.696 ( 0.668 -1.421 -4.043) 4.337 2.013 ( 11.216 1.901 2.520) 11.651 2.187 ( 6.413 -5.896 0.125) 8.712 2.540 ( -6.732 2.343 2.294) 7.488 2.573 ( 1.201 5.689 -2.113) 6.187 2.640 ( -12.738 1.941 7.665) 14.992 2.768 ( 4.356 2.007 -7.048) 8.525 2.860 ( 3.868 -4.535 -3.335) 6.830 3.151 ( 3.277 0.653 -1.701) 3.749 3.279 ( 0.138 0.675 -2.862) 2.944 3.509 ( 0.908 -3.490 -2.935) 4.650 3.649 ( -5.915 -2.193 -2.045) 6.632 3.722 ( -1.177 -1.718 0.575) 2.161 4.125 ( 1.780 -2.072 -0.601) 2.797 4.274 ( -19.071 -4.563 -1.507) 19.667 5.345 ( -7.713 -0.771 1.737) 7.943 6.106 ( 0.493 3.387 16.118) 16.477 6.472 ( -1.681 0.717 16.291) 16.393 7.380 ( 4.700 3.347 1.753) 6.030 7.636 ( 13.881 -12.598 15.557) 24.361 9.275 ( -30.578 -3.611 0.572) 30.795 9.734 ( -4.853 -1.047 -1.675) 5.239 9.933 ( -6.220 0.660 -6.381) 8.935 11.807 ( 3.491 -11.382 1.745) 12.033 12.416 ( 9.550 7.739 -20.699) 24.074 13.840 ( 7.312 7.911 0.038) 10.773 ======================= Grid point 353 (120/155) ======================= q-point: (-0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -0.000 3.067 5.853) 6.608 1.019 ( -0.000 9.011 2.685) 9.403 1.495 ( -0.000 6.212 -3.788) 7.276 1.558 ( -0.000 0.751 12.007) 12.030 1.706 ( 0.000 -0.737 -5.677) 5.725 2.115 ( -0.000 1.487 -1.584) 2.173 2.359 ( 0.000 -3.142 3.567) 4.753 2.383 ( -0.000 0.401 10.677) 10.684 2.491 ( -0.000 1.929 1.578) 2.492 2.539 ( -0.000 5.469 -2.740) 6.117 2.772 ( -0.000 6.063 -6.091) 8.594 2.941 ( 0.000 -5.169 -2.462) 5.725 3.198 ( 0.000 -1.979 -1.368) 2.406 3.247 ( -0.000 4.605 -2.427) 5.205 3.521 ( -0.000 0.918 -7.516) 7.572 3.654 ( 0.000 -8.994 -1.775) 9.167 3.748 ( 0.000 -4.123 0.385) 4.141 4.122 ( 0.000 -4.318 0.244) 4.325 4.160 ( 0.000 -2.535 -0.587) 2.602 5.278 ( 0.000 -0.832 1.491) 1.707 6.079 ( -0.000 4.669 14.933) 15.646 6.451 ( -0.000 0.561 17.014) 17.023 7.388 ( -0.000 4.294 -0.174) 4.297 7.939 ( 0.000 -21.003 15.895) 26.339 8.972 ( 0.000 -0.214 2.228) 2.239 9.697 ( 0.000 -0.707 -1.855) 1.985 9.874 ( -0.000 0.333 -6.454) 6.463 11.931 ( 0.000 -9.659 1.780) 9.822 12.439 ( -0.000 6.667 -21.206) 22.229 13.832 ( -0.000 9.704 0.551) 9.719 ======================= Grid point 360 (121/155) ======================= q-point: (-0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -13.012 -0.000 2.646) 13.278 1.322 ( -4.676 -0.000 -1.755) 4.995 1.416 ( 2.091 0.000 11.588) 11.775 1.630 ( 3.634 0.000 -1.233) 3.838 1.691 ( -0.671 -0.000 -3.968) 4.024 1.823 ( 12.398 0.000 4.616) 13.229 1.995 ( 4.839 0.000 -5.550) 7.363 2.579 ( 10.774 0.000 -3.800) 11.425 2.629 ( 8.110 0.000 -6.028) 10.105 2.703 ( -7.865 -0.000 1.392) 7.988 2.744 ( -0.530 -0.000 -5.160) 5.187 2.904 ( -11.302 -0.000 8.582) 14.191 3.136 ( 1.666 0.000 -2.465) 2.976 3.238 ( -0.862 -0.000 -0.291) 0.910 3.470 ( -0.455 -0.000 -0.952) 1.055 3.692 ( -2.572 -0.000 2.217) 3.395 3.840 ( -9.076 -0.000 -1.506) 9.200 4.053 ( 3.028 0.000 -0.368) 3.051 4.634 ( -27.689 -0.000 -2.050) 27.765 5.499 ( -10.306 -0.000 1.905) 10.481 6.142 ( -0.416 -0.000 17.396) 17.401 6.513 ( -1.287 -0.000 15.095) 15.150 7.235 ( 10.834 0.000 20.778) 23.433 7.342 ( 9.676 0.000 -2.374) 9.963 9.767 ( -17.760 -0.000 0.451) 17.766 9.903 ( -29.937 -0.000 -2.337) 30.028 10.083 ( -8.564 -0.000 -5.623) 10.245 11.583 ( 4.756 0.000 -0.130) 4.757 12.287 ( 14.988 0.000 -17.417) 22.978 13.751 ( 13.871 0.000 -1.507) 13.953 ======================= Grid point 362 (122/155) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -10.427 0.442 4.224) 11.259 1.230 ( -2.840 4.908 -2.285) 6.114 1.465 ( 1.542 -2.501 14.385) 14.682 1.676 ( 0.506 3.174 -4.592) 5.605 1.680 ( 1.417 -0.234 -4.553) 4.774 2.045 ( 9.226 2.383 0.854) 9.567 2.102 ( 9.238 -4.404 2.017) 10.431 2.565 ( -6.934 0.817 1.787) 7.207 2.642 ( -8.177 2.114 6.186) 10.469 2.683 ( -4.300 3.347 -0.958) 5.533 2.772 ( 5.983 -1.155 -5.497) 8.206 2.794 ( 3.503 -3.015 -5.118) 6.896 3.183 ( 4.280 2.854 -5.138) 7.270 3.272 ( 3.716 -1.648 -2.441) 4.742 3.458 ( -1.128 -1.944 -0.342) 2.273 3.631 ( -6.371 -0.410 -1.641) 6.592 3.707 ( -3.562 -0.325 -0.213) 3.583 4.101 ( 1.929 -0.793 -0.622) 2.176 4.222 ( -18.873 -1.750 -2.011) 19.060 5.336 ( -7.617 -0.281 1.845) 7.843 6.143 ( 0.789 1.163 17.203) 17.261 6.481 ( -1.935 0.294 16.181) 16.299 7.419 ( 7.783 1.463 12.168) 14.518 7.493 ( 7.840 -4.806 4.858) 10.400 9.238 ( -27.997 -1.123 1.044) 28.039 9.722 ( -4.318 -0.383 -1.570) 4.611 9.940 ( -6.554 0.236 -6.279) 9.080 11.664 ( 2.402 -5.026 0.846) 5.634 12.509 ( 10.351 3.152 -20.231) 22.942 13.930 ( 7.613 2.987 -0.164) 8.179 ======================= Grid point 363 (123/155) ======================= q-point: (-0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -0.000 1.644 5.361) 5.607 1.155 ( -0.000 7.284 -1.087) 7.365 1.500 ( 0.000 -2.609 14.459) 14.693 1.641 ( -0.000 6.025 -4.984) 7.819 1.696 ( 0.000 -0.464 -5.692) 5.711 2.108 ( 0.000 -1.835 -3.659) 4.094 2.333 ( 0.000 -0.110 6.548) 6.548 2.389 ( -0.000 0.297 10.946) 10.950 2.517 ( -0.000 1.191 1.487) 1.905 2.630 ( -0.000 5.369 -3.259) 6.280 2.832 ( -0.000 1.329 -8.066) 8.175 2.860 ( 0.000 -4.634 -2.311) 5.179 3.206 ( -0.000 3.167 -4.143) 5.215 3.310 ( -0.000 3.006 -2.888) 4.168 3.508 ( 0.000 -8.654 -0.975) 8.708 3.536 ( -0.000 0.933 -6.788) 6.852 3.699 ( 0.000 -2.016 1.354) 2.428 4.059 ( 0.000 -3.208 -0.541) 3.253 4.129 ( 0.000 -1.244 -0.887) 1.528 5.267 ( 0.000 -0.508 1.711) 1.785 6.137 ( -0.000 2.519 16.234) 16.428 6.458 ( -0.000 0.340 17.078) 17.082 7.452 ( -0.000 3.815 2.152) 4.380 7.668 ( 0.000 -12.588 14.140) 18.931 8.969 ( 0.000 -0.126 2.233) 2.237 9.687 ( 0.000 -0.439 -1.753) 1.807 9.878 ( -0.000 0.200 -6.384) 6.387 11.747 ( 0.000 -9.875 1.628) 10.008 12.564 ( -0.000 6.451 -21.734) 22.671 13.962 ( -0.000 5.890 0.358) 5.901 ======================= Grid point 373 (124/155) ======================= q-point: ( 0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -0.000 0.000 5.188) 5.188 1.223 ( -0.000 0.000 -3.905) 3.905 1.469 ( 0.000 -0.000 16.603) 16.603 1.692 ( 0.000 -0.000 -5.698) 5.698 1.695 ( 0.000 -0.000 -5.129) 5.129 2.087 ( -0.000 0.000 -4.000) 4.000 2.336 ( -0.000 0.000 6.895) 6.895 2.392 ( -0.000 0.000 11.043) 11.043 2.527 ( -0.000 0.000 1.459) 1.459 2.686 ( 0.000 -0.000 -4.135) 4.135 2.811 ( -0.000 0.000 -1.409) 1.409 2.837 ( -0.000 0.000 -7.636) 7.636 3.258 ( -0.000 0.000 -10.506) 10.506 3.336 ( -0.000 0.000 -3.202) 3.202 3.415 ( 0.000 -0.000 3.794) 3.794 3.545 ( -0.000 0.000 -6.314) 6.314 3.683 ( -0.000 0.000 1.551) 1.551 4.031 ( -0.000 0.000 -0.896) 0.896 4.119 ( -0.000 0.000 -1.002) 1.002 5.263 ( -0.000 0.000 1.792) 1.792 6.158 ( -0.000 0.000 16.728) 16.728 6.461 ( -0.000 0.000 17.104) 17.104 7.519 ( -0.000 0.000 -2.850) 2.850 7.531 ( 0.000 -0.000 19.040) 19.040 8.968 ( -0.000 0.000 2.235) 2.235 9.684 ( -0.000 0.000 -1.714) 1.714 9.880 ( -0.000 0.000 -6.357) 6.357 11.663 ( -0.000 0.000 0.998) 0.998 12.618 ( 0.000 -0.000 -21.232) 21.232 14.010 ( -0.000 0.000 0.281) 0.281 ======================= Grid point 420 (125/155) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 0.000 0.000 3.091) 3.091 0.870 ( 0.000 0.000 7.890) 7.890 1.118 ( 0.000 0.000 -7.552) 7.552 1.646 ( 0.000 0.000 -2.600) 2.600 1.814 ( 0.000 0.000 7.819) 7.819 1.995 ( 0.000 0.000 0.148) 0.148 2.267 ( 0.000 0.000 -1.058) 1.058 2.413 ( 0.000 0.000 -0.049) 0.049 2.532 ( 0.000 0.000 -1.958) 1.958 2.542 ( 0.000 0.000 1.681) 1.681 2.568 ( 0.000 0.000 6.053) 6.053 3.072 ( 0.000 0.000 -0.575) 0.575 3.114 ( 0.000 0.000 0.073) 0.073 3.254 ( 0.000 0.000 -1.604) 1.604 3.361 ( 0.000 0.000 -4.669) 4.669 3.842 ( 0.000 0.000 -0.519) 0.519 4.036 ( 0.000 0.000 1.475) 1.475 4.277 ( 0.000 0.000 0.633) 0.633 4.285 ( 0.000 0.000 -0.839) 0.839 5.319 ( 0.000 0.000 0.305) 0.305 6.020 ( 0.000 0.000 4.613) 4.613 6.672 ( 0.000 0.000 6.930) 6.930 7.201 ( 0.000 0.000 -0.853) 0.853 8.957 ( 0.000 0.000 -0.374) 0.374 9.013 ( 0.000 0.000 0.983) 0.983 9.690 ( 0.000 0.000 -0.933) 0.933 9.762 ( 0.000 0.000 -3.001) 3.001 11.358 ( 0.000 0.000 -1.901) 1.901 12.769 ( 0.000 0.000 -0.691) 0.691 13.488 ( 0.000 0.000 0.416) 0.416 ======================= Grid point 421 (126/155) ======================= q-point: ( 0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 16.184 -0.282 2.858) 16.437 0.913 ( 3.614 -3.413 7.621) 9.099 1.143 ( 2.695 -0.444 -7.625) 8.100 1.624 ( -2.679 -0.327 -0.382) 2.726 1.838 ( 2.533 0.607 5.824) 6.380 1.927 ( -7.227 -0.679 0.031) 7.259 2.258 ( -2.082 -2.091 -0.955) 3.102 2.386 ( -4.217 0.884 -2.230) 4.852 2.468 ( -1.734 -0.673 2.634) 3.224 2.638 ( 10.685 -0.521 0.713) 10.722 2.718 ( 10.161 -0.604 4.370) 11.078 3.016 ( -8.191 1.481 -1.267) 8.419 3.051 ( -2.191 -0.838 -1.194) 2.632 3.292 ( 4.315 0.814 -1.271) 4.571 3.442 ( 6.981 -0.253 -3.148) 7.662 3.823 ( -1.818 0.607 -0.380) 1.955 3.885 ( -9.162 2.555 0.480) 9.524 4.258 ( -1.298 1.369 0.909) 2.094 4.535 ( 22.234 2.945 -0.410) 22.432 5.401 ( 8.798 0.286 0.395) 8.811 6.033 ( -0.029 -3.352 4.509) 5.619 6.681 ( 1.010 -0.262 7.079) 7.156 7.168 ( -4.497 -1.581 -0.962) 4.863 8.493 ( -24.361 4.826 4.081) 25.168 9.572 ( 38.271 4.622 -1.835) 38.593 9.754 ( 7.908 0.583 -2.132) 8.211 9.795 ( 3.803 -0.445 -2.946) 4.831 11.381 ( -1.323 -8.000 -2.121) 8.381 12.641 ( -10.854 6.225 -0.615) 12.527 13.449 ( -6.212 -3.332 0.333) 7.057 ======================= Grid point 422 (127/155) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 5.094 -4.891 7.320) 10.171 1.176 ( 14.116 0.785 2.453) 14.349 1.221 ( 5.765 -1.592 -7.080) 9.268 1.566 ( -4.078 -0.882 0.614) 4.218 1.772 ( -9.104 -0.272 0.433) 9.118 1.877 ( 1.474 2.599 2.298) 3.770 2.220 ( -4.838 -1.730 0.304) 5.147 2.270 ( -6.338 1.691 -3.062) 7.240 2.478 ( 0.337 -2.659 1.715) 3.182 2.835 ( -2.183 1.448 0.834) 2.749 2.846 ( 6.236 1.283 1.046) 6.452 2.916 ( 8.232 -1.128 2.566) 8.696 3.027 ( -0.904 -0.830 -2.171) 2.494 3.384 ( 6.824 1.598 -0.835) 7.058 3.565 ( 5.893 0.429 -1.630) 6.130 3.739 ( -4.854 0.783 -0.144) 4.919 3.773 ( -3.172 0.662 -0.215) 3.248 4.215 ( -1.626 2.441 0.792) 3.038 4.931 ( 26.318 5.975 -0.224) 26.988 5.585 ( 11.695 0.880 0.489) 11.739 6.069 ( -0.222 -5.778 4.128) 7.104 6.715 ( 2.416 -0.729 7.846) 8.242 7.068 ( -9.064 -2.946 -1.462) 9.642 8.046 ( -21.096 7.055 6.616) 23.208 9.878 ( 9.326 1.058 0.353) 9.393 9.895 ( 7.282 -1.054 -2.617) 7.809 10.292 ( 45.463 9.304 -5.179) 46.693 11.426 ( -3.022 -11.992 -2.622) 12.641 12.336 ( -15.268 9.583 -0.773) 18.043 13.317 ( -13.134 -5.622 0.086) 14.287 ======================= Grid point 423 (128/155) ======================= q-point: ( 0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 5.839 -5.310 6.805) 10.421 1.326 ( 6.531 -1.883 -5.261) 8.595 1.386 ( 7.104 -0.196 4.359) 8.337 1.518 ( -0.085 0.392 -3.617) 3.640 1.624 ( -7.862 -0.943 -0.134) 7.919 1.845 ( -1.552 5.062 0.604) 5.329 2.089 ( -6.937 5.012 0.076) 8.559 2.166 ( -8.077 -3.188 -2.536) 9.046 2.508 ( 1.110 -1.210 0.746) 1.803 2.694 ( -6.641 0.333 -1.023) 6.727 2.982 ( 4.497 0.397 3.209) 5.539 3.023 ( 3.573 1.142 -0.255) 3.760 3.096 ( 7.333 -1.511 1.004) 7.554 3.467 ( 2.421 2.385 -0.308) 3.412 3.566 ( -0.040 4.179 -0.520) 4.211 3.708 ( -3.651 -0.635 0.042) 3.706 3.790 ( 6.067 -5.146 -0.574) 7.976 4.168 ( -0.996 3.337 0.795) 3.572 5.346 ( 26.754 6.591 -0.127) 27.555 5.770 ( 10.131 1.470 0.429) 10.246 6.112 ( -0.658 -6.474 3.271) 7.284 6.768 ( 0.641 -1.443 10.481) 10.599 6.909 ( -10.178 -3.690 -3.370) 11.339 7.655 ( -16.919 6.603 7.765) 19.752 10.022 ( 7.941 1.255 0.139) 8.040 10.051 ( 8.497 -1.782 -2.099) 8.932 10.965 ( 37.340 10.519 -2.947) 38.905 11.489 ( 2.506 -9.997 -3.314) 10.826 11.998 ( -13.242 10.568 -1.672) 17.024 13.076 ( -20.284 -7.222 -0.348) 21.534 ======================= Grid point 424 (129/155) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 4.690 -4.514 6.281) 9.046 1.408 ( -1.295 0.215 4.132) 4.336 1.460 ( 5.549 -2.499 -4.313) 7.459 1.530 ( -3.461 -1.709 -0.988) 3.984 1.599 ( 7.256 1.044 -3.517) 8.130 1.754 ( -3.578 4.820 -0.566) 6.030 1.935 ( -4.874 5.684 -0.940) 7.546 2.023 ( -10.077 -2.135 -2.657) 10.638 2.533 ( 1.788 0.998 0.026) 2.048 2.605 ( -4.298 -1.545 -0.519) 4.596 3.028 ( 1.172 -2.667 1.977) 3.521 3.072 ( 3.163 3.806 0.997) 5.048 3.218 ( 5.495 -0.743 1.000) 5.634 3.406 ( -4.960 1.270 -0.363) 5.133 3.589 ( 4.788 5.208 0.030) 7.075 3.658 ( -3.701 -3.070 -0.023) 4.808 3.944 ( 5.484 -5.901 0.418) 8.066 4.124 ( -0.766 4.282 0.925) 4.447 5.746 ( 22.821 4.250 0.148) 23.214 5.911 ( 7.355 2.063 0.415) 7.650 6.149 ( 0.540 -4.246 2.042) 4.742 6.597 ( -18.203 -3.500 2.763) 18.741 6.938 ( 6.666 -2.815 5.349) 8.998 7.349 ( -12.917 5.146 8.076) 16.080 10.134 ( 5.626 0.269 0.083) 5.633 10.184 ( 4.570 -0.678 -1.190) 4.770 11.309 ( 7.207 -5.337 -1.859) 9.158 11.688 ( -5.079 10.374 1.005) 11.594 11.829 ( 25.646 7.337 -6.344) 27.419 12.729 ( -26.573 -8.946 -1.057) 28.058 ======================= Grid point 425 (130/155) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 1.026 -1.847 4.284) 4.777 1.374 ( -1.026 1.847 4.284) 4.777 1.527 ( -0.279 -2.536 -1.162) 2.804 1.527 ( 0.279 2.536 -1.162) 2.804 1.681 ( -2.387 -0.419 -2.468) 3.459 1.681 ( 2.387 0.419 -2.468) 3.459 1.889 ( -5.658 -3.570 -2.507) 7.145 1.889 ( 5.658 3.570 -2.507) 7.145 2.560 ( -2.820 -2.113 -0.249) 3.532 2.560 ( 2.820 2.113 -0.249) 3.532 3.067 ( -0.103 -3.801 1.660) 4.149 3.067 ( 0.103 3.801 1.660) 4.149 3.311 ( -4.991 0.480 0.074) 5.014 3.311 ( 4.991 -0.480 0.074) 5.014 3.625 ( -4.048 -4.941 0.095) 6.388 3.625 ( 4.048 4.941 0.095) 6.388 4.060 ( 2.521 -5.284 0.917) 5.927 4.060 ( -2.521 5.284 0.917) 5.927 5.968 ( 0.976 -2.083 0.577) 2.372 5.968 ( -0.976 2.083 0.577) 2.372 6.291 ( -17.123 -2.794 1.281) 17.397 6.291 ( 17.123 2.794 1.281) 17.397 7.113 ( -10.000 3.819 7.593) 13.124 7.113 ( 10.000 -3.819 7.593) 13.124 10.206 ( -1.849 0.501 -0.303) 1.939 10.206 ( 1.849 -0.501 -0.303) 1.939 11.475 ( 5.958 -10.819 -1.878) 12.493 11.475 ( -5.958 10.819 -1.878) 12.493 12.299 ( -31.266 -10.290 -2.321) 32.998 12.299 ( 31.266 10.290 -2.321) 32.998 ======================= Grid point 432 (131/155) ======================= q-point: ( 0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 5.535 0.000 6.589) 8.606 1.184 ( 15.304 0.000 3.102) 15.616 1.209 ( 4.871 0.000 -6.578) 8.185 1.557 ( -3.900 -0.000 0.374) 3.917 1.769 ( -9.526 -0.000 0.351) 9.533 1.901 ( 3.041 0.000 2.699) 4.066 2.193 ( -4.342 -0.000 -1.223) 4.510 2.300 ( -6.386 -0.000 -1.935) 6.673 2.450 ( 0.552 0.000 2.204) 2.273 2.847 ( -5.787 -0.000 1.089) 5.889 2.855 ( 11.965 0.000 2.631) 12.251 2.907 ( 5.991 0.000 0.897) 6.057 3.021 ( -0.597 -0.000 -2.319) 2.395 3.397 ( 6.984 0.000 -0.866) 7.038 3.567 ( 7.137 0.000 -1.784) 7.357 3.747 ( -7.436 -0.000 -0.044) 7.436 3.778 ( -3.555 -0.000 -0.299) 3.567 4.236 ( -1.654 -0.000 0.977) 1.921 4.984 ( 26.457 0.000 -0.144) 26.457 5.593 ( 11.861 0.000 0.437) 11.870 6.018 ( -0.224 -0.000 3.835) 3.841 6.709 ( 2.308 0.000 7.711) 8.049 7.043 ( -9.063 -0.000 -1.314) 9.158 8.105 ( -22.171 -0.000 6.503) 23.105 9.885 ( 6.889 0.000 -2.650) 7.381 9.887 ( 9.369 0.000 0.316) 9.375 10.380 ( 47.025 0.000 -6.375) 47.455 11.315 ( -2.650 -0.000 -1.571) 3.080 12.416 ( -16.309 -0.000 -0.620) 16.321 13.270 ( -12.895 -0.000 0.155) 12.896 ======================= Grid point 433 (132/155) ======================= q-point: ( 0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 6.708 -2.163 5.773) 9.111 1.309 ( 6.262 -0.398 -5.491) 8.338 1.383 ( 6.014 -0.160 6.890) 9.146 1.523 ( 1.685 0.161 -5.045) 5.322 1.613 ( -8.051 -0.352 -0.185) 8.061 1.914 ( -0.689 2.903 1.071) 3.170 2.104 ( -6.953 -1.990 -1.100) 7.315 2.169 ( -7.056 2.396 -1.287) 7.562 2.482 ( 2.116 -1.341 1.437) 2.888 2.698 ( -8.101 0.097 -1.163) 8.185 2.977 ( 1.431 -0.329 3.441) 3.741 3.046 ( 7.054 0.893 1.822) 7.340 3.080 ( 7.612 -0.434 -1.331) 7.740 3.494 ( 1.713 0.877 -0.361) 1.958 3.633 ( 0.766 3.992 -0.482) 4.093 3.701 ( -2.407 -0.899 0.065) 2.570 3.713 ( 2.563 -3.613 -0.950) 4.531 4.207 ( -0.940 1.300 1.038) 1.911 5.436 ( 26.539 3.607 0.119) 26.784 5.788 ( 10.308 0.627 0.273) 10.330 6.024 ( -0.718 -3.547 2.934) 4.659 6.750 ( -0.504 -0.598 9.719) 9.751 6.865 ( -9.161 -1.463 -2.765) 9.680 7.732 ( -18.689 2.583 7.744) 20.394 10.029 ( 8.728 -0.703 -2.106) 9.006 10.036 ( 7.522 0.449 0.054) 7.536 11.137 ( 33.055 10.581 -3.718) 34.906 11.322 ( 8.381 -10.429 -2.823) 13.674 12.121 ( -14.372 4.161 -1.476) 15.035 12.991 ( -20.404 -2.911 -0.123) 20.611 ======================= Grid point 434 (133/155) ======================= q-point: ( 0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 6.386 -2.873 5.277) 8.768 1.410 ( -0.144 0.036 4.587) 4.590 1.428 ( 5.654 -1.365 -3.238) 6.657 1.509 ( -3.522 -0.832 -1.908) 4.091 1.613 ( 6.512 0.610 -4.545) 7.964 1.832 ( -4.698 4.643 0.803) 6.653 1.979 ( -9.121 -2.272 -1.119) 9.466 2.027 ( -5.712 4.132 -2.119) 7.362 2.533 ( 2.344 -0.804 0.699) 2.575 2.582 ( -5.308 -1.114 -0.867) 5.493 2.995 ( 0.500 -1.387 2.310) 2.740 3.127 ( 3.703 2.761 1.339) 4.809 3.207 ( 6.018 -0.634 0.396) 6.064 3.426 ( -5.607 1.071 -0.478) 5.729 3.620 ( -5.056 -1.503 -0.112) 5.276 3.670 ( 5.037 4.787 0.052) 6.949 3.850 ( 5.406 -5.586 0.132) 7.775 4.180 ( -0.537 2.535 1.153) 2.836 5.829 ( 20.323 5.905 0.514) 21.170 5.940 ( 8.049 1.498 0.224) 8.191 6.064 ( 3.020 -6.082 1.848) 7.038 6.545 ( -18.817 -2.636 1.951) 19.100 6.902 ( 6.544 -1.528 5.759) 8.850 7.419 ( -14.342 3.302 8.178) 16.837 10.138 ( 4.646 0.203 0.043) 4.651 10.174 ( 5.978 -0.549 -1.330) 6.149 11.228 ( -0.328 -3.978 -1.351) 4.214 11.827 ( 2.963 6.312 2.053) 7.269 11.939 ( 23.848 5.556 -8.104) 25.793 12.604 ( -27.695 -6.020 -0.572) 28.348 ======================= Grid point 435 (134/155) ======================= q-point: ( 0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 3.439 -1.771 4.369) 5.835 1.404 ( 0.469 1.672 3.930) 4.297 1.483 ( 1.511 -2.539 0.044) 2.955 1.554 ( 4.297 0.715 -3.494) 5.584 1.681 ( -1.191 0.355 -3.666) 3.871 1.708 ( -3.855 2.486 -0.464) 4.611 1.839 ( -7.565 -2.612 -0.918) 8.056 1.950 ( 2.625 3.762 -3.402) 5.711 2.519 ( -3.253 -2.629 -0.228) 4.188 2.582 ( 2.732 0.672 -0.314) 2.831 3.014 ( -0.455 -2.642 2.000) 3.344 3.132 ( 0.147 3.994 1.308) 4.205 3.304 ( 4.583 -0.661 0.170) 4.633 3.323 ( -5.013 0.915 -0.048) 5.096 3.554 ( -4.834 -3.606 -0.152) 6.033 3.706 ( 3.484 5.013 0.319) 6.114 3.971 ( 3.046 -5.590 0.647) 6.399 4.135 ( -2.161 3.819 1.150) 4.537 5.942 ( -1.634 -1.142 0.854) 2.169 6.011 ( -2.474 3.308 0.437) 4.154 6.233 ( -14.892 -4.255 0.953) 15.518 6.323 ( 20.121 1.184 1.486) 20.210 7.058 ( 9.135 -2.771 7.467) 12.119 7.173 ( -10.885 3.334 7.732) 13.762 10.199 ( 2.010 -0.323 -0.267) 2.053 10.214 ( -1.644 0.449 -0.365) 1.743 11.313 ( 4.582 -8.682 -1.424) 9.920 11.643 ( -7.074 9.510 -2.292) 12.072 12.136 ( -32.015 -9.441 -1.526) 33.412 12.450 ( 30.715 7.914 -3.118) 31.871 ======================= Grid point 436 (135/155) ======================= q-point: (-0.50 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -1.836 3.877 6.921) 8.143 1.406 ( 1.980 0.419 3.530) 4.069 1.500 ( -2.814 2.012 -3.855) 5.179 1.561 ( 0.245 1.596 -0.256) 1.635 1.587 ( -5.638 0.472 -2.729) 6.281 1.683 ( 0.669 -3.829 -2.280) 4.507 1.847 ( 4.287 -5.111 -1.069) 6.756 2.056 ( 10.080 1.925 -3.037) 10.702 2.502 ( -1.245 -2.650 -0.358) 2.950 2.626 ( 3.152 0.912 -0.667) 3.348 3.008 ( -3.456 -3.584 1.327) 5.153 3.083 ( -1.514 3.782 1.244) 4.259 3.233 ( -4.606 1.104 1.213) 4.889 3.386 ( 3.645 -1.478 -0.175) 3.937 3.507 ( -4.364 -4.661 -0.190) 6.388 3.716 ( 1.992 3.904 0.250) 4.390 4.033 ( -5.377 4.810 0.749) 7.253 4.049 ( 1.227 -4.724 0.613) 4.919 5.694 ( -25.828 -2.265 0.074) 25.928 5.877 ( -6.887 -2.046 0.563) 7.206 6.199 ( 2.834 2.041 1.930) 3.990 6.650 ( 17.791 2.833 3.936) 18.440 6.988 ( -6.860 3.138 4.780) 8.931 7.266 ( 11.163 -4.833 7.950) 14.532 10.130 ( -6.894 -0.223 0.105) 6.898 10.195 ( -2.937 0.649 -1.033) 3.180 11.367 ( -23.979 0.794 -1.633) 24.047 11.514 ( 8.521 -10.411 -0.592) 13.466 11.737 ( -14.069 -2.988 -4.668) 15.121 12.874 ( 25.540 8.479 -1.646) 26.961 ======================= Grid point 437 (136/155) ======================= q-point: (-0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -5.489 5.841 7.256) 10.812 1.356 ( -8.593 0.567 0.946) 8.663 1.410 ( -5.171 4.156 -3.961) 7.726 1.510 ( 2.024 -0.617 -1.933) 2.866 1.642 ( 7.455 1.262 0.201) 7.563 1.762 ( 2.442 -5.152 0.535) 5.726 1.998 ( 7.122 -5.845 -0.953) 9.263 2.219 ( 9.799 3.146 -2.325) 10.551 2.511 ( 0.415 -0.803 -0.192) 0.924 2.687 ( 4.366 -0.579 -1.073) 4.533 2.944 ( -7.242 -3.503 0.998) 8.107 3.036 ( -0.930 2.230 1.129) 2.667 3.126 ( -6.452 2.101 1.861) 7.036 3.417 ( -3.892 -3.822 -0.203) 5.459 3.504 ( 1.414 -3.338 -0.567) 3.669 3.724 ( 1.653 1.308 0.228) 2.120 3.873 ( -7.605 5.015 -0.264) 9.113 4.106 ( 1.335 -4.112 0.468) 4.349 5.246 ( -28.100 -5.506 -0.301) 28.636 5.744 ( -9.867 -1.708 0.579) 10.030 6.212 ( 1.814 5.517 3.662) 6.866 6.794 ( -1.629 1.727 11.647) 11.886 6.975 ( 10.889 4.205 -4.228) 12.415 7.535 ( 14.116 -7.846 7.752) 17.914 9.998 ( -8.682 -1.538 0.160) 8.818 10.083 ( -7.991 2.091 -1.955) 8.488 10.803 ( -41.309 -9.418 -2.326) 42.433 11.635 ( 4.051 7.557 -2.506) 8.933 11.806 ( 11.239 -11.961 -2.971) 16.679 13.207 ( 20.183 8.485 -0.716) 21.905 ======================= Grid point 438 (137/155) ======================= q-point: (-0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -5.310 5.395 7.462) 10.629 1.163 ( -13.406 -0.709 2.267) 13.615 1.277 ( -4.348 5.942 -7.960) 10.843 1.578 ( 4.194 0.390 0.842) 4.296 1.773 ( 6.430 -0.477 1.967) 6.742 1.835 ( 3.375 -2.000 0.670) 3.980 2.175 ( 7.670 -5.054 -0.346) 9.192 2.319 ( 5.370 5.251 -2.171) 7.818 2.518 ( 0.601 2.088 0.707) 2.285 2.800 ( 4.894 -2.800 -0.653) 5.676 2.814 ( -8.032 -2.470 0.315) 8.409 2.943 ( -9.402 2.159 4.449) 10.624 3.046 ( 1.082 1.502 -1.974) 2.706 3.348 ( -6.100 -2.688 -0.725) 6.705 3.545 ( -2.161 -2.242 -1.195) 3.335 3.735 ( -1.993 0.550 -0.271) 2.085 3.759 ( 1.727 -0.876 -0.202) 1.946 4.164 ( 1.686 -3.605 0.397) 4.000 4.818 ( -26.386 -7.344 -0.376) 27.391 5.567 ( -11.313 -1.290 0.590) 11.402 6.179 ( 0.629 7.246 4.898) 8.769 6.731 ( -2.712 1.176 8.229) 8.744 7.129 ( 9.079 4.348 -1.905) 10.245 7.894 ( 18.162 -11.163 6.807) 22.378 9.855 ( -9.292 -1.729 0.500) 9.464 9.914 ( -9.153 1.161 -2.476) 9.553 10.133 ( -42.082 -9.350 -3.674) 43.264 11.643 ( 5.660 13.680 -3.521) 15.218 12.131 ( 12.664 -14.968 -1.506) 19.664 13.436 ( 13.717 8.632 -0.100) 16.208 ======================= Grid point 439 (138/155) ======================= q-point: (-0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -14.708 0.987 2.585) 14.966 0.997 ( -2.920 5.851 8.868) 11.018 1.174 ( -2.392 4.398 -9.258) 10.525 1.629 ( 1.668 0.107 -0.859) 1.879 1.824 ( 0.061 -0.993 7.430) 7.496 1.944 ( 7.003 1.332 -1.929) 7.385 2.311 ( 3.515 3.019 0.916) 4.723 2.366 ( 5.929 -0.396 -2.799) 6.569 2.488 ( -2.196 1.728 1.415) 3.132 2.653 ( -7.172 1.242 0.617) 7.305 2.736 ( -10.851 1.480 4.621) 11.887 2.970 ( 7.167 -4.112 -1.270) 8.360 3.075 ( 3.064 1.937 -1.491) 3.920 3.270 ( -4.295 -1.714 -1.166) 4.769 3.449 ( -6.861 0.608 -3.032) 7.526 3.803 ( 2.079 -2.689 0.234) 3.407 3.812 ( 5.453 -5.417 -0.154) 7.688 4.219 ( 1.246 -3.218 0.517) 3.489 4.456 ( -20.666 -6.285 -0.332) 21.603 5.393 ( -8.534 -0.715 0.459) 8.576 6.126 ( 0.156 7.375 5.184) 9.016 6.689 ( -1.196 0.680 7.140) 7.272 7.214 ( 4.467 3.862 -1.191) 6.024 8.344 ( 21.923 -13.167 4.661) 25.994 9.460 ( -36.856 -7.776 -1.016) 37.681 9.741 ( -6.410 -1.002 -1.321) 6.621 9.806 ( -4.617 0.908 -2.974) 5.566 11.595 ( 2.768 16.624 -3.512) 17.215 12.457 ( 9.311 -15.734 -1.031) 18.312 13.546 ( 6.658 8.241 0.255) 10.597 ======================= Grid point 440 (139/155) ======================= q-point: (-0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -0.000 2.249 3.001) 3.750 0.923 ( -0.000 5.826 8.895) 10.633 1.128 ( -0.000 1.841 -8.878) 9.067 1.642 ( 0.000 -0.436 -2.599) 2.635 1.822 ( -0.000 0.804 8.683) 8.720 2.004 ( -0.000 1.061 -1.348) 1.715 2.300 ( -0.000 3.871 -0.747) 3.942 2.422 ( -0.000 1.015 0.037) 1.016 2.500 ( 0.000 -2.065 -0.938) 2.268 2.572 ( -0.000 0.445 6.014) 6.030 2.586 ( -0.000 3.434 0.651) 3.495 3.081 ( 0.000 -3.904 -0.214) 3.910 3.091 ( -0.000 2.271 -0.684) 2.372 3.244 ( 0.000 -1.279 -1.426) 1.916 3.365 ( -0.000 0.527 -4.586) 4.616 3.831 ( 0.000 -1.361 -0.287) 1.391 3.967 ( 0.000 -8.028 0.807) 8.068 4.257 ( 0.000 -2.402 0.557) 2.466 4.260 ( 0.000 -2.836 -0.496) 2.879 5.316 ( 0.000 -0.378 0.340) 0.508 6.072 ( -0.000 5.996 4.963) 7.784 6.675 ( -0.000 0.383 6.931) 6.941 7.225 ( -0.000 2.904 -0.957) 3.058 8.810 ( 0.000 -16.797 1.010) 16.828 9.012 ( 0.000 -0.147 0.983) 0.994 9.687 ( 0.000 -0.364 -0.917) 0.987 9.764 ( -0.000 0.272 -2.987) 3.000 11.487 ( -0.000 14.643 -2.937) 14.935 12.663 ( 0.000 -12.573 -0.835) 12.601 13.543 ( -0.000 6.441 0.382) 6.453 ======================= Grid point 443 (140/155) ======================= q-point: ( 0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 7.004 0.000 4.859) 8.524 1.410 ( 0.216 0.000 4.800) 4.805 1.417 ( 5.587 0.000 -2.824) 6.260 1.503 ( -3.458 -0.000 -2.227) 4.113 1.618 ( 6.190 0.000 -4.899) 7.894 1.883 ( -4.391 -0.000 1.846) 4.764 1.947 ( -9.723 -0.000 -1.770) 9.883 2.065 ( -5.705 -0.000 -1.922) 6.020 2.523 ( 2.486 0.000 1.184) 2.753 2.573 ( -5.489 -0.000 -1.240) 5.627 2.984 ( 0.263 0.000 2.449) 2.463 3.152 ( 4.291 0.000 2.056) 4.758 3.200 ( 5.822 0.000 -0.444) 5.839 3.436 ( -5.798 -0.000 -0.526) 5.822 3.609 ( -5.634 -0.000 -0.168) 5.637 3.729 ( 5.437 0.000 0.198) 5.441 3.784 ( 5.157 0.000 -0.095) 5.157 4.201 ( -0.487 -0.000 1.244) 1.336 5.906 ( 24.578 0.000 0.926) 24.596 5.955 ( 9.310 0.000 -0.216) 9.312 5.983 ( -2.183 -0.000 1.845) 2.858 6.522 ( -19.175 -0.000 1.702) 19.250 6.890 ( 6.508 0.000 5.888) 8.777 7.447 ( -14.893 -0.000 8.214) 17.008 10.140 ( 4.275 0.000 0.017) 4.275 10.169 ( 6.556 0.000 -1.376) 6.699 11.195 ( -2.452 -0.000 -1.103) 2.688 11.879 ( 8.028 0.000 2.257) 8.340 11.987 ( 20.559 0.000 -8.642) 22.301 12.553 ( -28.320 -0.000 -0.369) 28.322 ======================= Grid point 444 (141/155) ======================= q-point: ( 0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 4.770 -0.755 4.216) 6.411 1.426 ( 1.944 1.013 3.310) 3.970 1.452 ( 1.442 -1.280 1.002) 2.173 1.557 ( 6.381 -0.049 -5.018) 8.118 1.686 ( -0.163 0.222 -4.326) 4.335 1.750 ( -8.953 2.312 -0.611) 9.267 1.803 ( -6.488 -1.846 1.793) 6.980 1.998 ( 0.427 1.737 -3.787) 4.188 2.486 ( -3.628 -1.232 -0.212) 3.837 2.585 ( 3.030 -0.057 -0.419) 3.059 2.985 ( -0.777 -0.929 2.146) 2.464 3.187 ( 0.760 2.443 1.361) 2.898 3.287 ( 3.657 -1.171 0.032) 3.840 3.336 ( -4.971 0.541 -0.176) 5.003 3.515 ( -5.313 -1.192 -0.329) 5.455 3.781 ( 2.874 4.009 0.576) 4.967 3.887 ( 3.801 -4.326 0.350) 5.769 4.178 ( -1.985 1.400 1.281) 2.746 5.930 ( -3.864 -0.383 1.097) 4.035 6.072 ( 0.226 3.946 0.463) 3.979 6.161 ( -17.137 -4.371 0.657) 17.698 6.333 ( 22.560 0.232 1.539) 22.613 7.028 ( 8.587 -0.955 7.394) 11.371 7.212 ( -11.412 1.317 7.826) 13.900 10.196 ( 2.127 -0.093 -0.260) 2.145 10.219 ( -1.443 0.170 -0.417) 1.511 11.213 ( 3.651 -3.333 -1.113) 5.068 11.765 ( -5.927 4.918 -2.684) 8.156 12.013 ( -34.339 -4.980 -0.878) 34.709 12.540 ( 30.387 2.963 -3.620) 30.745 ======================= Grid point 445 (142/155) ======================= q-point: (-0.60 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 2.783 -0.253 4.124) 4.982 1.451 ( 1.228 3.753 5.216) 6.542 1.513 ( 0.845 -0.245 0.527) 1.026 1.569 ( -6.103 0.164 -2.463) 6.584 1.626 ( -0.655 1.105 -2.106) 2.467 1.637 ( -2.178 0.134 -3.559) 4.174 1.773 ( 2.042 -4.059 -1.207) 4.702 2.083 ( 9.556 1.291 -3.333) 10.203 2.459 ( -0.996 -2.324 -0.569) 2.591 2.635 ( 2.643 0.226 -0.942) 2.815 2.961 ( -3.586 -2.080 1.340) 4.357 3.147 ( -1.868 3.924 0.971) 4.453 3.251 ( -4.107 0.928 1.343) 4.419 3.349 ( 0.874 -3.045 -0.071) 3.168 3.453 ( -2.685 -1.813 -0.512) 3.280 3.777 ( 0.289 3.454 0.573) 3.513 3.975 ( 2.399 -4.054 0.393) 4.727 4.097 ( -5.438 2.838 0.884) 6.197 5.670 ( -28.080 -0.830 0.209) 28.093 5.848 ( -6.711 -1.415 0.604) 6.885 6.219 ( 5.678 0.623 1.722) 5.966 6.685 ( 17.661 1.492 4.890) 18.386 7.031 ( -7.065 2.059 4.341) 8.544 7.203 ( 9.722 -2.772 7.862) 12.806 10.127 ( -7.967 -0.124 0.115) 7.968 10.204 ( -1.588 0.504 -0.954) 1.920 11.332 ( -26.892 -3.975 0.640) 27.192 11.379 ( -2.942 -5.679 -2.756) 6.964 11.734 ( -1.167 1.544 -4.454) 4.857 12.987 ( 24.808 5.098 -2.128) 25.415 ======================= Grid point 446 (143/155) ======================= q-point: (-0.50 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -7.067 4.487 4.292) 9.407 1.352 ( -9.224 0.294 2.812) 9.647 1.485 ( 2.651 0.755 -0.187) 2.763 1.523 ( -1.189 5.762 -4.737) 7.554 1.659 ( 5.608 0.121 1.136) 5.723 1.684 ( 4.602 -3.837 0.451) 6.008 1.904 ( 6.664 -5.934 -1.943) 9.132 2.263 ( 11.515 2.218 -2.497) 11.990 2.487 ( 1.980 -1.965 -1.028) 2.973 2.677 ( 2.349 -0.542 -1.363) 2.769 2.890 ( -6.908 -2.904 0.651) 7.522 3.081 ( -1.915 3.206 1.134) 3.903 3.159 ( -5.635 1.819 2.193) 6.315 3.347 ( -4.282 -4.716 -0.226) 6.374 3.464 ( 1.550 -1.680 -0.594) 2.361 3.748 ( -0.787 1.551 0.504) 1.811 3.945 ( -8.606 3.708 -0.021) 9.371 4.043 ( 2.114 -3.497 0.197) 4.091 5.175 ( -29.683 -3.296 -0.295) 29.867 5.718 ( -9.487 -1.463 0.661) 9.622 6.284 ( 3.435 3.443 3.895) 6.230 6.820 ( -2.230 1.404 12.918) 13.184 7.036 ( 11.126 3.140 -5.131) 12.648 7.419 ( 11.320 -6.069 7.716) 14.984 9.975 ( -9.424 -1.239 0.177) 9.507 10.116 ( -7.342 1.922 -1.864) 7.815 10.668 ( -42.618 -7.166 -1.631) 43.247 11.594 ( 9.209 -9.821 0.256) 13.466 11.771 ( 7.765 5.244 -6.232) 11.254 13.333 ( 20.135 6.649 -1.094) 21.233 ======================= Grid point 447 (144/155) ======================= q-point: (-0.40 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -12.816 -0.570 1.759) 12.949 1.193 ( -6.075 4.624 3.985) 8.612 1.407 ( -1.941 9.409 -4.931) 10.799 1.576 ( 4.003 -0.556 0.621) 4.089 1.745 ( 2.740 -2.845 4.777) 6.199 1.825 ( 9.065 0.524 -1.628) 9.225 2.085 ( 8.527 -5.950 -0.704) 10.422 2.406 ( 7.168 5.282 -1.755) 9.075 2.541 ( 2.779 0.785 -0.741) 2.981 2.749 ( 4.696 -3.414 -1.618) 6.027 2.771 ( -8.704 -2.737 0.146) 9.125 2.982 ( -9.369 2.576 5.212) 11.027 3.073 ( 0.279 1.667 -1.809) 2.476 3.300 ( -4.505 -3.283 -0.669) 5.614 3.501 ( -0.169 -2.817 -0.856) 2.949 3.738 ( -0.711 -0.722 0.825) 1.307 3.765 ( -7.138 1.930 -1.208) 7.492 4.107 ( 2.031 -3.290 0.062) 3.867 4.710 ( -26.944 -5.792 -0.479) 27.564 5.547 ( -10.869 -1.195 0.674) 10.955 6.287 ( 1.444 5.882 5.843) 8.416 6.750 ( -3.107 1.172 8.763) 9.371 7.198 ( 9.157 3.978 -2.586) 10.313 7.710 ( 14.388 -10.902 6.891) 19.323 9.826 ( -9.788 -1.804 0.819) 9.987 9.918 ( -20.407 -1.454 -2.128) 20.569 10.019 ( -28.595 -4.054 -3.089) 29.046 11.811 ( 8.377 0.239 1.799) 8.572 11.914 ( 10.211 -4.527 -7.870) 13.663 13.577 ( 14.418 8.317 -0.338) 16.648 ======================= Grid point 448 (145/155) ======================= q-point: (-0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -12.285 1.129 2.329) 12.555 1.075 ( -3.270 4.073 5.051) 7.266 1.299 ( -1.184 10.277 -6.237) 12.080 1.624 ( 0.870 -0.652 -1.415) 1.785 1.805 ( 2.046 -1.509 9.068) 9.418 1.964 ( 6.890 0.935 -4.128) 8.086 2.290 ( 10.049 -3.521 1.538) 10.758 2.430 ( 2.010 6.199 -1.833) 6.770 2.521 ( -4.333 2.190 0.499) 4.881 2.671 ( -2.369 0.865 -0.560) 2.584 2.763 ( -12.025 1.841 5.148) 13.209 2.891 ( 5.824 -5.345 -1.499) 8.046 3.104 ( 3.969 1.314 -1.840) 4.568 3.245 ( -3.653 -1.078 -0.904) 3.915 3.458 ( -5.764 0.443 -2.703) 6.381 3.701 ( 0.332 -6.380 -0.206) 6.392 3.769 ( 0.959 -2.481 0.152) 2.664 4.164 ( 1.311 -3.328 0.082) 3.578 4.351 ( -18.900 -6.408 -0.299) 19.958 5.380 ( -8.180 -0.832 0.548) 8.241 6.249 ( 0.494 7.441 6.382) 9.816 6.702 ( -1.493 0.830 7.241) 7.439 7.283 ( 4.437 4.387 -1.661) 6.457 8.098 ( 16.969 -16.358 5.307) 24.160 9.351 ( -32.703 -5.442 -0.144) 33.153 9.723 ( -5.471 -1.104 -0.975) 5.665 9.822 ( -5.495 1.014 -2.941) 6.315 11.860 ( 5.010 14.607 -2.712) 15.679 12.173 ( 7.049 -17.723 -3.376) 19.369 13.696 ( 7.316 9.730 0.129) 12.175 ======================= Grid point 449 (146/155) ======================= q-point: (-0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -0.000 3.104 2.791) 4.174 1.013 ( -0.000 4.419 7.445) 8.658 1.209 ( -0.000 8.711 -8.249) 11.997 1.633 ( 0.000 -0.720 -2.596) 2.694 1.831 ( -0.000 0.020 10.375) 10.375 2.023 ( -0.000 1.085 -4.481) 4.611 2.381 ( -0.000 5.677 0.260) 5.683 2.444 ( -0.000 1.738 0.280) 1.761 2.470 ( 0.000 -1.489 -0.529) 1.580 2.582 ( -0.000 0.719 5.894) 5.938 2.644 ( -0.000 3.608 -0.200) 3.613 2.998 ( 0.000 -5.976 -0.826) 6.033 3.141 ( -0.000 3.753 -1.047) 3.896 3.214 ( 0.000 -2.381 -1.041) 2.599 3.379 ( -0.000 1.157 -4.278) 4.432 3.793 ( 0.000 -5.754 0.970) 5.835 3.813 ( 0.000 -7.839 -1.055) 7.910 4.202 ( 0.000 -4.272 0.355) 4.286 4.205 ( 0.000 -3.628 -0.170) 3.632 5.308 ( 0.000 -0.615 0.424) 0.747 6.190 ( -0.000 7.989 5.979) 9.978 6.683 ( -0.000 0.612 6.935) 6.962 7.286 ( -0.000 4.312 -1.286) 4.499 8.479 ( 0.000 -22.506 3.214) 22.735 9.008 ( 0.000 -0.225 0.983) 1.008 9.679 ( 0.000 -0.594 -0.875) 1.057 9.770 ( -0.000 0.428 -2.952) 2.983 11.767 ( -0.000 18.257 -3.836) 18.656 12.395 ( 0.000 -19.428 -1.810) 19.513 13.679 ( -0.000 9.840 0.304) 9.845 ======================= Grid point 454 (147/155) ======================= q-point: ( 0.30 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 3.242 0.000 3.695) 4.916 1.495 ( 4.003 0.000 4.804) 6.253 1.501 ( 2.897 0.000 2.382) 3.750 1.568 ( -9.318 -0.000 -2.575) 9.667 1.612 ( -5.398 -0.000 -3.074) 6.212 1.675 ( 6.730 0.000 -4.091) 7.876 1.727 ( -3.779 -0.000 -0.487) 3.810 2.094 ( 9.220 0.000 -3.434) 9.838 2.438 ( -0.936 -0.000 -0.619) 1.122 2.636 ( 2.576 0.000 -1.084) 2.794 2.944 ( -3.650 -0.000 1.332) 3.885 3.189 ( -1.812 -0.000 0.919) 2.031 3.257 ( -4.029 -0.000 1.750) 4.393 3.315 ( -0.730 -0.000 -0.532) 0.904 3.441 ( -1.691 -0.000 -0.573) 1.786 3.811 ( -1.151 -0.000 0.835) 1.422 3.935 ( 3.671 0.000 0.161) 3.675 4.121 ( -5.425 -0.000 0.946) 5.507 5.664 ( -28.930 -0.000 0.305) 28.931 5.836 ( -6.686 -0.000 0.592) 6.712 6.224 ( 6.822 0.000 1.631) 7.015 6.697 ( 17.663 0.000 5.237) 18.423 7.049 ( -7.158 -0.000 4.187) 8.293 7.180 ( 9.160 0.000 7.836) 12.055 10.126 ( -8.388 -0.000 0.118) 8.389 10.209 ( -1.031 -0.000 -0.943) 1.397 11.291 ( -13.632 -0.000 1.173) 13.682 11.335 ( -19.271 -0.000 -3.017) 19.505 11.751 ( 1.300 0.000 -4.580) 4.761 13.029 ( 24.541 0.000 -2.314) 24.650 ======================= Grid point 455 (148/155) ======================= q-point: (-0.60 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -11.074 -0.269 1.417) 11.167 1.421 ( -6.415 3.832 2.666) 7.934 1.475 ( 3.595 -0.941 1.127) 3.883 1.608 ( 3.551 -2.983 1.806) 4.977 1.632 ( 0.148 5.588 -2.595) 6.163 1.680 ( 7.280 0.463 0.656) 7.324 1.812 ( 6.103 -4.784 -3.374) 8.457 2.288 ( 12.548 0.829 -2.664) 12.855 2.459 ( 2.884 -1.064 -1.402) 3.378 2.671 ( 1.297 -0.201 -1.647) 2.106 2.857 ( -6.740 -1.063 0.602) 6.850 3.132 ( -2.806 2.638 0.669) 3.909 3.177 ( -5.458 0.313 2.942) 6.208 3.280 ( -3.683 -2.853 -0.630) 4.701 3.447 ( 1.127 -0.468 -0.574) 1.348 3.768 ( -2.667 0.755 0.727) 2.866 3.987 ( -9.058 1.372 0.095) 9.162 4.001 ( 3.029 -1.450 0.033) 3.359 5.140 ( -30.708 -1.071 -0.216) 30.727 5.700 ( -9.137 -0.611 0.672) 9.182 6.321 ( 4.568 1.161 3.977) 6.167 6.836 ( -2.515 0.540 13.775) 14.013 7.071 ( 11.165 1.149 -5.743) 12.607 7.351 ( 9.541 -2.244 7.707) 12.469 9.961 ( -9.879 -0.474 0.189) 9.892 10.140 ( -6.631 0.928 -1.914) 6.964 10.584 ( -42.913 -2.881 -1.065) 43.023 11.476 ( 8.249 -3.999 -0.511) 9.182 11.834 ( 8.911 2.107 -5.803) 10.841 13.409 ( 20.120 2.501 -1.332) 20.318 ======================= Grid point 456 (149/155) ======================= q-point: (-0.50 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -12.260 -0.411 1.353) 12.341 1.268 ( -6.453 4.211 1.200) 7.799 1.548 ( 0.730 5.565 -0.819) 5.672 1.569 ( 2.275 1.454 -1.184) 2.948 1.693 ( 3.162 -3.261 5.071) 6.808 1.844 ( 9.740 1.917 -1.576) 10.051 1.986 ( 9.346 -6.230 -0.735) 11.256 2.483 ( 10.089 3.930 -1.783) 10.974 2.545 ( 5.375 -0.185 -2.044) 5.753 2.698 ( 1.685 -2.722 -1.927) 3.737 2.733 ( -8.261 -1.790 0.211) 8.455 3.022 ( -9.635 2.155 5.005) 11.069 3.096 ( -0.848 1.130 -1.307) 1.925 3.247 ( -2.569 -2.977 -0.892) 4.032 3.465 ( -0.154 -1.413 -0.615) 1.548 3.727 ( -1.725 -0.483 0.914) 2.011 3.798 ( -10.291 1.691 -1.075) 10.484 4.064 ( 2.517 -1.937 -0.103) 3.177 4.637 ( -27.743 -3.152 -0.506) 27.926 5.531 ( -10.466 -0.724 0.711) 10.516 6.362 ( 2.220 3.259 6.603) 7.691 6.766 ( -3.450 0.723 9.250) 9.899 7.251 ( 9.411 2.434 -3.346) 10.280 7.564 ( 11.121 -6.737 6.976) 14.755 9.800 ( -11.769 -1.245 1.323) 11.908 9.875 ( -33.493 -2.578 -2.200) 33.664 9.996 ( -11.899 -0.037 -2.773) 12.218 11.659 ( 6.616 -9.107 0.517) 11.268 11.998 ( 11.879 5.515 -7.166) 14.929 13.688 ( 14.981 5.033 -0.539) 15.813 ======================= Grid point 457 (150/155) ======================= q-point: (-0.40 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -10.202 0.825 2.109) 10.450 1.142 ( -3.620 4.343 1.338) 5.810 1.470 ( -0.344 10.023 -3.397) 10.588 1.612 ( 0.808 -0.785 -1.695) 2.035 1.771 ( 2.770 -2.704 9.671) 10.417 1.970 ( 5.478 -0.247 -5.588) 7.829 2.231 ( 13.286 -3.423 2.539) 13.952 2.532 ( 1.659 6.134 -1.229) 6.472 2.555 ( -4.962 2.003 0.044) 5.351 2.675 ( 1.999 -0.429 -2.263) 3.049 2.790 ( -9.914 0.426 4.673) 10.968 2.810 ( 1.728 -3.640 -0.957) 4.142 3.113 ( 2.950 -0.015 -1.736) 3.423 3.236 ( -0.801 -0.375 -1.424) 1.677 3.457 ( -2.470 -0.684 -1.786) 3.124 3.626 ( -6.724 -2.599 -0.448) 7.223 3.731 ( -0.003 -2.041 0.255) 2.057 4.118 ( 1.579 -2.286 -0.168) 2.783 4.257 ( -18.203 -4.945 -0.372) 18.866 5.368 ( -7.896 -0.640 0.620) 7.946 6.353 ( 0.886 5.280 7.690) 9.370 6.714 ( -1.786 0.664 7.337) 7.580 7.348 ( 4.536 3.598 -2.351) 6.249 7.852 ( 12.194 -13.233 5.687) 18.872 9.285 ( -28.730 -2.918 0.332) 28.879 9.707 ( -4.753 -0.870 -0.831) 4.903 9.837 ( -6.270 0.768 -2.894) 6.948 11.851 ( 4.356 -13.907 2.376) 14.766 12.115 ( 7.545 9.277 -9.312) 15.155 13.840 ( 7.955 7.658 -0.003) 11.043 ======================= Grid point 458 (151/155) ======================= q-point: (-0.30 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -0.000 2.569 2.566) 3.631 1.077 ( -0.000 4.019 2.612) 4.793 1.380 ( -0.000 11.284 -4.446) 12.128 1.620 ( 0.000 -0.737 -2.591) 2.694 1.817 ( 0.000 -1.813 11.308) 11.452 2.028 ( 0.000 -0.707 -6.698) 6.735 2.432 ( 0.000 -0.155 3.071) 3.075 2.474 ( -0.000 1.830 0.636) 1.937 2.497 ( -0.000 5.494 -1.629) 5.730 2.594 ( -0.000 0.734 5.687) 5.734 2.693 ( -0.000 2.275 -2.000) 3.030 2.902 ( 0.000 -5.601 -1.287) 5.747 3.173 ( 0.000 -2.422 -0.847) 2.566 3.203 ( -0.000 3.647 -1.776) 4.056 3.404 ( -0.000 1.984 -3.581) 4.094 3.635 ( 0.000 -9.410 -0.341) 9.416 3.755 ( 0.000 -2.959 0.221) 2.967 4.126 ( 0.000 -4.996 0.085) 4.997 4.152 ( 0.000 -2.779 -0.177) 2.785 5.298 ( 0.000 -0.618 0.520) 0.808 6.312 ( -0.000 6.775 7.373) 10.013 6.694 ( -0.000 0.604 6.944) 6.970 7.356 ( -0.000 4.161 -1.855) 4.556 8.131 ( 0.000 -19.759 4.531) 20.272 9.005 ( 0.000 -0.209 0.984) 1.006 9.669 ( 0.000 -0.599 -0.824) 1.019 9.777 ( -0.000 0.413 -2.910) 2.940 11.985 ( 0.000 -2.116 4.110) 4.623 12.128 ( 0.000 -2.379 -10.944) 11.200 13.840 ( -0.000 9.496 0.205) 9.498 ======================= Grid point 465 (152/155) ======================= q-point: (-0.60 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -11.982 -0.000 1.239) 12.046 1.307 ( -6.839 -0.000 -0.037) 6.839 1.555 ( 4.284 0.000 1.311) 4.480 1.626 ( -1.279 -0.000 -2.187) 2.533 1.661 ( 3.503 0.000 5.125) 6.208 1.889 ( 4.917 0.000 -4.900) 6.941 1.901 ( 14.926 0.000 2.530) 15.139 2.519 ( 12.737 0.000 -1.900) 12.878 2.542 ( 6.561 0.000 -2.507) 7.024 2.672 ( -0.978 -0.000 -1.977) 2.205 2.718 ( -8.258 -0.000 0.340) 8.265 3.042 ( -10.295 -0.000 4.597) 11.274 3.106 ( -1.070 -0.000 -0.720) 1.290 3.219 ( -1.605 -0.000 -1.195) 2.002 3.455 ( -0.197 -0.000 -0.509) 0.546 3.723 ( -2.355 -0.000 0.956) 2.542 3.812 ( -10.978 -0.000 -1.025) 11.025 4.048 ( 2.749 0.000 -0.143) 2.753 4.611 ( -28.145 -0.000 -0.503) 28.149 5.525 ( -10.289 -0.000 0.715) 10.314 6.389 ( 2.539 0.000 6.893) 7.346 6.772 ( -3.587 -0.000 9.451) 10.109 7.272 ( 9.676 0.000 -3.801) 10.396 7.507 ( 9.696 0.000 7.134) 12.037 9.790 ( -13.608 -0.000 1.604) 13.702 9.854 ( -33.407 -0.000 -2.354) 33.490 9.997 ( -9.471 -0.000 -2.643) 9.833 11.582 ( 5.678 0.000 0.005) 5.678 12.043 ( 12.698 0.000 -6.847) 14.426 13.730 ( 15.195 0.000 -0.617) 15.207 ======================= Grid point 467 (153/155) ======================= q-point: (-0.50 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -9.082 0.293 1.980) 9.300 1.202 ( -3.828 2.341 -0.541) 4.520 1.595 ( 0.058 4.391 -2.116) 4.874 1.602 ( 0.821 -0.033 -1.936) 2.103 1.729 ( 2.938 -1.972 9.748) 10.370 1.960 ( 3.200 -0.676 -6.087) 6.910 2.191 ( 16.497 -1.372 3.214) 16.863 2.580 ( -5.981 0.965 0.237) 6.063 2.622 ( 0.183 4.393 -1.373) 4.606 2.664 ( 5.265 -0.575 -3.315) 6.248 2.731 ( 6.344 -3.886 -0.918) 7.496 2.817 ( -14.096 0.784 4.664) 14.869 3.112 ( 1.665 0.033 -1.954) 2.567 3.226 ( 1.884 -0.594 -1.993) 2.806 3.445 ( -0.753 -0.473 -0.666) 1.111 3.609 ( -10.313 -0.125 -0.392) 10.322 3.708 ( -0.759 -0.733 0.065) 1.057 4.093 ( 1.827 -0.807 -0.245) 2.012 4.200 ( -18.356 -1.963 -0.474) 18.467 5.361 ( -7.745 -0.238 0.657) 7.777 6.412 ( 1.143 1.918 8.560) 8.846 6.722 ( -1.964 0.252 7.389) 7.649 7.393 ( 4.863 1.713 -3.231) 6.085 7.697 ( 9.276 -5.364 6.164) 12.361 9.255 ( -26.570 -0.920 0.535) 26.592 9.697 ( -4.340 -0.330 -0.773) 4.421 9.846 ( -6.707 0.282 -2.860) 7.297 11.680 ( 2.972 -5.870 0.559) 6.603 12.227 ( 8.736 3.716 -7.862) 12.327 13.927 ( 8.345 2.886 -0.090) 8.831 ======================= Grid point 468 (154/155) ======================= q-point: (-0.40 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -0.000 1.365 2.403) 2.763 1.143 ( -0.000 3.724 -0.069) 3.725 1.543 ( -0.000 8.165 -2.727) 8.609 1.610 ( 0.000 -0.464 -2.586) 2.627 1.777 ( 0.000 -2.797 11.293) 11.634 2.003 ( 0.000 -2.027 -6.905) 7.196 2.430 ( -0.000 0.069 2.876) 2.877 2.499 ( -0.000 1.157 1.005) 1.532 2.585 ( -0.000 4.703 -1.266) 4.870 2.604 ( -0.000 0.476 5.436) 5.457 2.715 ( -0.000 0.511 -3.361) 3.400 2.826 ( 0.000 -3.657 -1.052) 3.805 3.142 ( 0.000 -1.295 -1.826) 2.239 3.250 ( -0.000 1.963 -2.717) 3.352 3.439 ( -0.000 2.147 -2.618) 3.386 3.513 ( 0.000 -5.507 0.494) 5.529 3.715 ( 0.000 -1.836 0.382) 1.875 4.052 ( 0.000 -3.720 -0.168) 3.724 4.118 ( 0.000 -1.418 -0.268) 1.443 5.289 ( 0.000 -0.384 0.590) 0.704 6.399 ( -0.000 3.857 8.600) 9.425 6.702 ( -0.000 0.370 6.954) 6.963 7.415 ( -0.000 3.072 -2.703) 4.092 7.870 ( 0.000 -12.006 5.270) 13.111 9.002 ( 0.000 -0.122 0.987) 0.994 9.661 ( 0.000 -0.373 -0.783) 0.867 9.782 ( -0.000 0.248 -2.878) 2.889 11.779 ( 0.000 -11.794 1.278) 11.863 12.259 ( -0.000 7.844 -8.681) 11.700 13.966 ( -0.000 5.753 0.119) 5.755 ======================= Grid point 478 (155/155) ======================= q-point: ( 0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -0.000 0.000 2.343) 2.343 1.177 ( -0.000 0.000 -1.046) 1.046 1.607 ( -0.000 0.000 -2.584) 2.584 1.615 ( -0.000 0.000 -2.466) 2.466 1.748 ( 0.000 -0.000 11.486) 11.486 1.982 ( -0.000 0.000 -6.680) 6.680 2.431 ( -0.000 0.000 2.646) 2.646 2.509 ( -0.000 0.000 1.177) 1.177 2.608 ( -0.000 0.000 5.309) 5.309 2.628 ( 0.000 -0.000 -1.604) 1.604 2.717 ( -0.000 0.000 -3.671) 3.671 2.793 ( -0.000 0.000 -0.469) 0.469 3.132 ( -0.000 0.000 -2.976) 2.976 3.265 ( -0.000 0.000 -3.137) 3.137 3.459 ( 0.000 -0.000 -2.170) 2.170 3.467 ( 0.000 -0.000 1.440) 1.440 3.700 ( -0.000 0.000 0.359) 0.359 4.020 ( -0.000 0.000 -0.283) 0.283 4.107 ( -0.000 0.000 -0.306) 0.306 5.286 ( -0.000 0.000 0.615) 0.615 6.431 ( -0.000 0.000 9.094) 9.094 6.705 ( -0.000 0.000 6.958) 6.958 7.444 ( -0.000 0.000 -3.455) 3.455 7.767 ( -0.000 0.000 5.858) 5.858 9.001 ( -0.000 0.000 0.988) 0.988 9.658 ( -0.000 0.000 -0.767) 0.767 9.784 ( -0.000 0.000 -2.866) 2.866 11.680 ( -0.000 0.000 0.559) 0.559 12.324 ( -0.000 0.000 -8.131) 8.131 14.014 ( -0.000 0.000 0.085) 0.085 =================== 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 3/27000 10.0 361.507 224.618 290.190 0.000 0.000 -0.000 3/27000 20.0 99.200 44.638 75.267 0.000 0.000 -0.000 3/27000 30.0 40.205 17.064 29.384 0.000 0.000 -0.000 3/27000 40.0 23.222 9.612 16.522 0.000 0.000 -0.000 3/27000 50.0 16.044 6.560 11.204 0.000 0.000 -0.000 3/27000 60.0 12.242 4.968 8.441 0.000 0.000 -0.000 3/27000 70.0 9.934 4.007 6.787 0.000 0.000 -0.000 3/27000 80.0 8.401 3.369 5.696 0.000 0.000 -0.000 3/27000 90.0 7.314 2.917 4.925 0.000 0.000 -0.000 3/27000 100.0 6.503 2.581 4.350 0.000 0.000 -0.000 3/27000 110.0 5.874 2.320 3.903 0.000 0.000 -0.000 3/27000 120.0 5.370 2.113 3.545 0.000 0.000 -0.000 3/27000 130.0 4.956 1.943 3.250 0.000 0.000 -0.000 3/27000 140.0 4.608 1.801 3.004 0.000 0.000 -0.000 3/27000 150.0 4.311 1.680 2.794 0.000 0.000 -0.000 3/27000 160.0 4.053 1.576 2.612 0.000 0.000 -0.000 3/27000 170.0 3.827 1.485 2.454 0.000 0.000 -0.000 3/27000 180.0 3.626 1.405 2.315 0.000 0.000 -0.000 3/27000 190.0 3.446 1.333 2.191 0.000 0.000 -0.000 3/27000 200.0 3.284 1.268 2.079 0.000 0.000 -0.000 3/27000 210.0 3.137 1.210 1.979 0.000 0.000 -0.000 3/27000 220.0 3.003 1.157 1.889 0.000 0.000 -0.000 3/27000 230.0 2.880 1.109 1.806 0.000 0.000 -0.000 3/27000 240.0 2.767 1.065 1.730 0.000 0.000 -0.000 3/27000 250.0 2.663 1.024 1.661 0.000 0.000 -0.000 3/27000 260.0 2.566 0.986 1.597 0.000 0.000 -0.000 3/27000 270.0 2.476 0.951 1.538 0.000 0.000 -0.000 3/27000 280.0 2.392 0.918 1.483 0.000 0.000 -0.000 3/27000 290.0 2.314 0.888 1.432 0.000 0.000 -0.000 3/27000 300.0 2.241 0.859 1.384 0.000 0.000 -0.000 3/27000 310.0 2.172 0.833 1.339 0.000 0.000 -0.000 3/27000 320.0 2.107 0.807 1.298 0.000 0.000 -0.000 3/27000 330.0 2.046 0.784 1.258 0.000 0.000 -0.000 3/27000 340.0 1.988 0.761 1.221 0.000 0.000 -0.000 3/27000 350.0 1.934 0.740 1.187 0.000 0.000 -0.000 3/27000 360.0 1.882 0.720 1.154 0.000 0.000 -0.000 3/27000 370.0 1.833 0.702 1.123 0.000 0.000 -0.000 3/27000 380.0 1.787 0.684 1.093 0.000 0.000 -0.000 3/27000 390.0 1.742 0.667 1.065 0.000 0.000 -0.000 3/27000 400.0 1.700 0.650 1.039 0.000 0.000 -0.000 3/27000 410.0 1.660 0.635 1.013 0.000 0.000 -0.000 3/27000 420.0 1.622 0.620 0.989 0.000 0.000 -0.000 3/27000 430.0 1.585 0.606 0.966 0.000 0.000 -0.000 3/27000 440.0 1.550 0.593 0.944 0.000 0.000 -0.000 3/27000 450.0 1.517 0.580 0.923 0.000 0.000 -0.000 3/27000 460.0 1.485 0.567 0.903 0.000 0.000 -0.000 3/27000 470.0 1.454 0.556 0.884 0.000 0.000 -0.000 3/27000 480.0 1.424 0.544 0.866 0.000 0.000 -0.000 3/27000 490.0 1.396 0.533 0.848 0.000 0.000 -0.000 3/27000 500.0 1.369 0.523 0.831 0.000 0.000 -0.000 3/27000 510.0 1.342 0.513 0.815 0.000 0.000 -0.000 3/27000 520.0 1.317 0.503 0.799 0.000 0.000 -0.000 3/27000 530.0 1.293 0.494 0.784 0.000 0.000 -0.000 3/27000 540.0 1.269 0.485 0.770 0.000 0.000 -0.000 3/27000 550.0 1.247 0.476 0.756 0.000 0.000 -0.000 3/27000 560.0 1.225 0.468 0.742 0.000 0.000 -0.000 3/27000 570.0 1.204 0.460 0.729 0.000 0.000 -0.000 3/27000 580.0 1.184 0.452 0.717 0.000 0.000 -0.000 3/27000 590.0 1.164 0.444 0.705 0.000 0.000 -0.000 3/27000 600.0 1.145 0.437 0.693 0.000 0.000 -0.000 3/27000 610.0 1.126 0.430 0.682 0.000 0.000 -0.000 3/27000 620.0 1.108 0.423 0.671 0.000 0.000 -0.000 3/27000 630.0 1.091 0.416 0.660 0.000 0.000 -0.000 3/27000 640.0 1.074 0.410 0.650 0.000 0.000 -0.000 3/27000 650.0 1.058 0.404 0.640 0.000 0.000 -0.000 3/27000 660.0 1.042 0.398 0.630 0.000 0.000 -0.000 3/27000 670.0 1.027 0.392 0.621 0.000 0.000 -0.000 3/27000 680.0 1.012 0.386 0.612 0.000 0.000 -0.000 3/27000 690.0 0.998 0.381 0.603 0.000 0.000 -0.000 3/27000 700.0 0.984 0.375 0.594 0.000 0.000 -0.000 3/27000 710.0 0.970 0.370 0.586 0.000 0.000 -0.000 3/27000 720.0 0.957 0.365 0.578 0.000 0.000 -0.000 3/27000 730.0 0.944 0.360 0.570 0.000 0.000 -0.000 3/27000 740.0 0.931 0.355 0.562 0.000 0.000 -0.000 3/27000 750.0 0.919 0.351 0.555 0.000 0.000 -0.000 3/27000 760.0 0.907 0.346 0.547 0.000 0.000 -0.000 3/27000 770.0 0.895 0.342 0.540 0.000 0.000 -0.000 3/27000 780.0 0.884 0.337 0.533 0.000 0.000 -0.000 3/27000 790.0 0.873 0.333 0.527 0.000 0.000 -0.000 3/27000 800.0 0.862 0.329 0.520 0.000 0.000 -0.000 3/27000 810.0 0.851 0.325 0.514 0.000 0.000 -0.000 3/27000 820.0 0.841 0.321 0.507 0.000 0.000 -0.000 3/27000 830.0 0.831 0.317 0.501 0.000 0.000 -0.000 3/27000 840.0 0.821 0.313 0.495 0.000 0.000 -0.000 3/27000 850.0 0.812 0.310 0.490 0.000 0.000 -0.000 3/27000 860.0 0.802 0.306 0.484 0.000 0.000 -0.000 3/27000 870.0 0.793 0.303 0.478 0.000 0.000 -0.000 3/27000 880.0 0.784 0.299 0.473 0.000 0.000 -0.000 3/27000 890.0 0.776 0.296 0.468 0.000 0.000 -0.000 3/27000 900.0 0.767 0.293 0.462 0.000 0.000 -0.000 3/27000 910.0 0.759 0.289 0.457 0.000 0.000 -0.000 3/27000 920.0 0.750 0.286 0.452 0.000 0.000 -0.000 3/27000 930.0 0.742 0.283 0.447 0.000 0.000 -0.000 3/27000 940.0 0.735 0.280 0.443 0.000 0.000 -0.000 3/27000 950.0 0.727 0.277 0.438 0.000 0.000 -0.000 3/27000 960.0 0.719 0.274 0.434 0.000 0.000 -0.000 3/27000 970.0 0.712 0.272 0.429 0.000 0.000 -0.000 3/27000 980.0 0.705 0.269 0.425 0.000 0.000 -0.000 3/27000 990.0 0.698 0.266 0.420 0.000 0.000 -0.000 3/27000 1000.0 0.691 0.263 0.416 0.000 0.000 -0.000 3/27000 Thermal conductivity related properties were written into "kappa-m10109.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:20:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|