----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:19:18]------------------------- Compiled with OpenMP support (max 32 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 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.968636009798722 1.136592530193680 7.569298189999992 b -1.968636009798718 1.136592530193680 7.569298189999992 c 0.000000000000002 -2.273185060387364 7.569298189999992 Atomic positions (fractional): *1 S 0.77037846954807 0.77037846954807 0.77037846954807 32.065 2 S 0.22962153045193 0.22962153045193 0.22962153045193 32.065 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.937272019597440 0.000000000000000 0.000000000000000 b -1.968636009798720 3.409777590581045 0.000000000000000 c 0.000000000000000 0.000000000000000 22.707894570000001 Atomic positions (fractional): *1 S 0.66666666666667 0.33333333333333 0.10371180288141 32.065 > 1 2 S 0.00000000000000 0.00000000000000 0.22962153045193 32.065 > 2 3 S 0.33333333333333 0.66666666666667 0.43704513621474 32.065 > 1 4 S 0.66666666666667 0.33333333333333 0.56295486378526 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.77037846954807 32.065 > 1 6 S 0.33333333333333 0.66666666666667 0.89628819711859 32.065 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 3 *10 Lu 0.33333333333333 0.66666666666667 0.16666666666667 174.967 > 4 11 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 4 12 Lu 0.66666666666667 0.33333333333333 0.83333333333333 174.967 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.811816058792321 0.000000000000000 0.000000000000000 b -5.905908029396160 10.229332771743135 0.000000000000000 c 0.000000000000000 0.000000000000000 22.707894570000001 Atomic positions (fractional): *1 S 0.22222222222222 0.11111111111111 0.10371180288141 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10371180288141 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10371180288141 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10371180288141 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10371180288141 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10371180288141 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10371180288141 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10371180288141 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10371180288141 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.22962153045193 32.065 > 2 11 S 0.33333333333333 0.00000000000000 0.22962153045193 32.065 > 2 12 S 0.66666666666667 0.00000000000000 0.22962153045193 32.065 > 2 13 S 0.00000000000000 0.33333333333333 0.22962153045193 32.065 > 2 14 S 0.33333333333333 0.33333333333333 0.22962153045193 32.065 > 2 15 S 0.66666666666667 0.33333333333333 0.22962153045193 32.065 > 2 16 S 0.00000000000000 0.66666666666667 0.22962153045193 32.065 > 2 17 S 0.33333333333333 0.66666666666667 0.22962153045193 32.065 > 2 18 S 0.66666666666667 0.66666666666667 0.22962153045193 32.065 > 2 19 S 0.11111111111111 0.22222222222222 0.43704513621474 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43704513621474 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43704513621474 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43704513621474 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43704513621474 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43704513621474 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43704513621474 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43704513621474 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43704513621474 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56295486378526 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.56295486378526 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.56295486378526 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.56295486378526 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.56295486378526 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.56295486378526 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.56295486378526 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.56295486378526 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.56295486378526 32.065 > 2 37 S 0.00000000000000 0.00000000000000 0.77037846954807 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.77037846954807 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.77037846954807 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.77037846954807 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.77037846954807 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.77037846954807 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.77037846954807 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.77037846954807 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.77037846954807 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89628819711859 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.89628819711859 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.89628819711859 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.89628819711859 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.89628819711859 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.89628819711859 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.89628819711859 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.89628819711859 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.89628819711859 32.065 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 3 *82 Lu 0.11111111111111 0.22222222222222 0.16666666666667 174.967 > 4 83 Lu 0.44444444444444 0.22222222222222 0.16666666666667 174.967 > 4 84 Lu 0.77777777777778 0.22222222222222 0.16666666666667 174.967 > 4 85 Lu 0.11111111111111 0.55555555555556 0.16666666666667 174.967 > 4 86 Lu 0.44444444444444 0.55555555555556 0.16666666666667 174.967 > 4 87 Lu 0.77777777777778 0.55555555555556 0.16666666666667 174.967 > 4 88 Lu 0.11111111111111 0.88888888888889 0.16666666666667 174.967 > 4 89 Lu 0.44444444444444 0.88888888888889 0.16666666666667 174.967 > 4 90 Lu 0.77777777777778 0.88888888888889 0.16666666666667 174.967 > 4 91 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 4 92 Lu 0.33333333333333 0.00000000000000 0.50000000000000 174.967 > 4 93 Lu 0.66666666666667 0.00000000000000 0.50000000000000 174.967 > 4 94 Lu 0.00000000000000 0.33333333333333 0.50000000000000 174.967 > 4 95 Lu 0.33333333333333 0.33333333333333 0.50000000000000 174.967 > 4 96 Lu 0.66666666666667 0.33333333333333 0.50000000000000 174.967 > 4 97 Lu 0.00000000000000 0.66666666666667 0.50000000000000 174.967 > 4 98 Lu 0.33333333333333 0.66666666666667 0.50000000000000 174.967 > 4 99 Lu 0.66666666666667 0.66666666666667 0.50000000000000 174.967 > 4 100 Lu 0.22222222222222 0.11111111111111 0.83333333333333 174.967 > 4 101 Lu 0.55555555555556 0.11111111111111 0.83333333333333 174.967 > 4 102 Lu 0.88888888888889 0.11111111111111 0.83333333333333 174.967 > 4 103 Lu 0.22222222222222 0.44444444444444 0.83333333333333 174.967 > 4 104 Lu 0.55555555555556 0.44444444444444 0.83333333333333 174.967 > 4 105 Lu 0.88888888888889 0.44444444444444 0.83333333333333 174.967 > 4 106 Lu 0.22222222222222 0.77777777777778 0.83333333333333 174.967 > 4 107 Lu 0.55555555555556 0.77777777777778 0.83333333333333 174.967 > 4 108 Lu 0.88888888888889 0.77777777777778 0.83333333333333 174.967 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5242420 0.0000000 0.0000000 0.0000000 5.5242420 0.0000000 0.0000000 0.0000000 4.3864227 -------------------------- Born effective charges -------------------------- 1 S -2.6810294 0.0000000 0.0000000 0.0000000 -2.6810294 0.0000000 0.0000000 0.0000000 -1.8861790 2 S -2.6810294 0.0000000 0.0000000 0.0000000 -2.6810294 0.0000000 0.0000000 0.0000000 -1.8861790 3 Rb 1.0540481 0.0000000 0.0000000 0.0000000 1.0540481 0.0000000 0.0000000 0.0000000 1.9367794 4 Lu 4.3080107 0.0000000 0.0000000 0.0000000 4.3080107 0.0000000 0.0000000 0.0000000 1.8355787 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 169 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 80 / 80 - Time: 0.087 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.095 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 169 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:19:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:19:24]------------------------- Compiled with OpenMP support (max 32 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 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.968636009798722 1.136592530193680 7.569298189999992 b -1.968636009798718 1.136592530193680 7.569298189999992 c 0.000000000000002 -2.273185060387364 7.569298189999992 Atomic positions (fractional): 1 S 0.77037846954807 0.77037846954807 0.77037846954807 32.065 2 S 0.22962153045193 0.22962153045193 0.22962153045193 32.065 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.811816058792321 0.000000000000000 0.000000000000000 b -5.905908029396160 10.229332771743135 0.000000000000000 c 0.000000000000000 0.000000000000000 22.707894570000001 Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.10371180288141 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10371180288141 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10371180288141 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10371180288141 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10371180288141 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10371180288141 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10371180288141 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10371180288141 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10371180288141 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.22962153045193 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.22962153045193 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.22962153045193 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.22962153045193 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.22962153045193 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.22962153045193 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.22962153045193 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.22962153045193 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.22962153045193 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.43704513621474 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43704513621474 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43704513621474 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43704513621474 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43704513621474 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43704513621474 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43704513621474 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43704513621474 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43704513621474 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56295486378526 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.56295486378526 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.56295486378526 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.56295486378526 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.56295486378526 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.56295486378526 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.56295486378526 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.56295486378526 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.56295486378526 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.77037846954807 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.77037846954807 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.77037846954807 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.77037846954807 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.77037846954807 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.77037846954807 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.77037846954807 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.77037846954807 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.77037846954807 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89628819711859 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.89628819711859 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.89628819711859 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.89628819711859 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.89628819711859 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.89628819711859 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.89628819711859 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.89628819711859 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.89628819711859 32.065 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Lu 0.11111111111111 0.22222222222222 0.16666666666667 174.967 > 82 83 Lu 0.44444444444444 0.22222222222222 0.16666666666667 174.967 > 82 84 Lu 0.77777777777778 0.22222222222222 0.16666666666667 174.967 > 82 85 Lu 0.11111111111111 0.55555555555556 0.16666666666667 174.967 > 82 86 Lu 0.44444444444444 0.55555555555556 0.16666666666667 174.967 > 82 87 Lu 0.77777777777778 0.55555555555556 0.16666666666667 174.967 > 82 88 Lu 0.11111111111111 0.88888888888889 0.16666666666667 174.967 > 82 89 Lu 0.44444444444444 0.88888888888889 0.16666666666667 174.967 > 82 90 Lu 0.77777777777778 0.88888888888889 0.16666666666667 174.967 > 82 91 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 82 92 Lu 0.33333333333333 0.00000000000000 0.50000000000000 174.967 > 82 93 Lu 0.66666666666667 0.00000000000000 0.50000000000000 174.967 > 82 94 Lu 0.00000000000000 0.33333333333333 0.50000000000000 174.967 > 82 95 Lu 0.33333333333333 0.33333333333333 0.50000000000000 174.967 > 82 96 Lu 0.66666666666667 0.33333333333333 0.50000000000000 174.967 > 82 97 Lu 0.00000000000000 0.66666666666667 0.50000000000000 174.967 > 82 98 Lu 0.33333333333333 0.66666666666667 0.50000000000000 174.967 > 82 99 Lu 0.66666666666667 0.66666666666667 0.50000000000000 174.967 > 82 100 Lu 0.22222222222222 0.11111111111111 0.83333333333333 174.967 > 82 101 Lu 0.55555555555556 0.11111111111111 0.83333333333333 174.967 > 82 102 Lu 0.88888888888889 0.11111111111111 0.83333333333333 174.967 > 82 103 Lu 0.22222222222222 0.44444444444444 0.83333333333333 174.967 > 82 104 Lu 0.55555555555556 0.44444444444444 0.83333333333333 174.967 > 82 105 Lu 0.88888888888889 0.44444444444444 0.83333333333333 174.967 > 82 106 Lu 0.22222222222222 0.77777777777778 0.83333333333333 174.967 > 82 107 Lu 0.55555555555556 0.77777777777778 0.83333333333333 174.967 > 82 108 Lu 0.88888888888889 0.77777777777778 0.83333333333333 174.967 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5242420 0.0000000 0.0000000 0.0000000 5.5242420 0.0000000 0.0000000 0.0000000 4.3864227 -------------------------- Born effective charges -------------------------- 1 S -2.6810294 0.0000000 0.0000000 0.0000000 -2.6810294 0.0000000 0.0000000 0.0000000 -1.8861790 2 S -2.6810294 0.0000000 0.0000000 0.0000000 -2.6810294 0.0000000 0.0000000 0.0000000 -1.8861790 3 Rb 1.0540481 0.0000000 0.0000000 0.0000000 1.0540481 0.0000000 0.0000000 0.0000000 1.9367794 4 Lu 4.3080107 0.0000000 0.0000000 0.0000000 4.3080107 0.0000000 0.0000000 0.0000000 1.8355787 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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 (yyz) -0.00000000 (yyz) -0.00000000 (yzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:19:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:19:29]------------------------- Compiled with OpenMP support (max 32 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 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.968636009798722 1.136592530193680 7.569298189999992 b -1.968636009798718 1.136592530193680 7.569298189999992 c 0.000000000000002 -2.273185060387364 7.569298189999992 Atomic positions (fractional): 1 S 0.77037846954807 0.77037846954807 0.77037846954807 32.065 2 S 0.22962153045193 0.22962153045193 0.22962153045193 32.065 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.811816058792321 0.000000000000000 0.000000000000000 b -5.905908029396160 10.229332771743135 0.000000000000000 c 0.000000000000000 0.000000000000000 22.707894570000001 Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.10371180288141 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10371180288141 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10371180288141 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10371180288141 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10371180288141 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10371180288141 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10371180288141 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10371180288141 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10371180288141 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.22962153045193 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.22962153045193 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.22962153045193 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.22962153045193 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.22962153045193 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.22962153045193 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.22962153045193 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.22962153045193 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.22962153045193 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.43704513621474 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43704513621474 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43704513621474 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43704513621474 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43704513621474 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43704513621474 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43704513621474 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43704513621474 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43704513621474 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56295486378526 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.56295486378526 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.56295486378526 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.56295486378526 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.56295486378526 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.56295486378526 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.56295486378526 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.56295486378526 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.56295486378526 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.77037846954807 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.77037846954807 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.77037846954807 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.77037846954807 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.77037846954807 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.77037846954807 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.77037846954807 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.77037846954807 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.77037846954807 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89628819711859 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.89628819711859 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.89628819711859 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.89628819711859 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.89628819711859 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.89628819711859 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.89628819711859 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.89628819711859 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.89628819711859 32.065 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Lu 0.11111111111111 0.22222222222222 0.16666666666667 174.967 > 82 83 Lu 0.44444444444444 0.22222222222222 0.16666666666667 174.967 > 82 84 Lu 0.77777777777778 0.22222222222222 0.16666666666667 174.967 > 82 85 Lu 0.11111111111111 0.55555555555556 0.16666666666667 174.967 > 82 86 Lu 0.44444444444444 0.55555555555556 0.16666666666667 174.967 > 82 87 Lu 0.77777777777778 0.55555555555556 0.16666666666667 174.967 > 82 88 Lu 0.11111111111111 0.88888888888889 0.16666666666667 174.967 > 82 89 Lu 0.44444444444444 0.88888888888889 0.16666666666667 174.967 > 82 90 Lu 0.77777777777778 0.88888888888889 0.16666666666667 174.967 > 82 91 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 82 92 Lu 0.33333333333333 0.00000000000000 0.50000000000000 174.967 > 82 93 Lu 0.66666666666667 0.00000000000000 0.50000000000000 174.967 > 82 94 Lu 0.00000000000000 0.33333333333333 0.50000000000000 174.967 > 82 95 Lu 0.33333333333333 0.33333333333333 0.50000000000000 174.967 > 82 96 Lu 0.66666666666667 0.33333333333333 0.50000000000000 174.967 > 82 97 Lu 0.00000000000000 0.66666666666667 0.50000000000000 174.967 > 82 98 Lu 0.33333333333333 0.66666666666667 0.50000000000000 174.967 > 82 99 Lu 0.66666666666667 0.66666666666667 0.50000000000000 174.967 > 82 100 Lu 0.22222222222222 0.11111111111111 0.83333333333333 174.967 > 82 101 Lu 0.55555555555556 0.11111111111111 0.83333333333333 174.967 > 82 102 Lu 0.88888888888889 0.11111111111111 0.83333333333333 174.967 > 82 103 Lu 0.22222222222222 0.44444444444444 0.83333333333333 174.967 > 82 104 Lu 0.55555555555556 0.44444444444444 0.83333333333333 174.967 > 82 105 Lu 0.88888888888889 0.44444444444444 0.83333333333333 174.967 > 82 106 Lu 0.22222222222222 0.77777777777778 0.83333333333333 174.967 > 82 107 Lu 0.55555555555556 0.77777777777778 0.83333333333333 174.967 > 82 108 Lu 0.88888888888889 0.77777777777778 0.83333333333333 174.967 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.5242420 0.0000000 0.0000000 0.0000000 5.5242420 0.0000000 0.0000000 0.0000000 4.3864227 -------------------------- Born effective charges -------------------------- 1 S -2.6810294 0.0000000 0.0000000 0.0000000 -2.6810294 0.0000000 0.0000000 0.0000000 -1.8861790 2 S -2.6810294 0.0000000 0.0000000 0.0000000 -2.6810294 0.0000000 0.0000000 0.0000000 -1.8861790 3 Rb 1.0540481 0.0000000 0.0000000 0.0000000 1.0540481 0.0000000 0.0000000 0.0000000 1.9367794 4 Lu 4.3080107 0.0000000 0.0000000 0.0000000 4.3080107 0.0000000 0.0000000 0.0000000 1.8355787 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyz) -0.00000000 (yyz) -0.00000000 (yzy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] 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: 0.89, Number of G-points: 307, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 344 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 2.147 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 5.328 ( 0.000 0.000 0.000) 0.000 5.328 ( 0.000 0.000 0.000) 0.000 6.543 ( 0.000 0.000 0.000) 0.000 6.543 ( 0.000 0.000 0.000) 0.000 7.220 ( 0.000 0.000 0.000) 0.000 8.422 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 18.564 10.718 -5.105) 22.035 0.424 ( 19.329 11.160 -3.997) 22.675 0.853 ( 35.465 20.476 13.433) 43.098 2.154 ( 0.489 0.283 0.652) 0.863 2.196 ( 4.397 2.539 -1.925) 5.430 3.650 ( -2.804 -1.619 1.177) 3.445 5.357 ( 2.459 1.419 0.453) 2.875 6.524 ( -1.766 -1.020 0.220) 2.051 6.529 ( -1.137 -0.656 -0.224) 1.332 7.209 ( 4.298 2.481 -19.083) 19.718 8.321 ( -7.478 -4.317 2.412) 8.966 8.588 ( 0.952 0.550 1.165) 1.601 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 18.335 10.586 -5.047) 21.764 0.847 ( 19.359 11.177 -5.788) 23.092 1.664 ( 32.639 18.844 12.005) 39.554 2.173 ( 0.905 0.522 1.340) 1.699 2.321 ( 7.083 4.089 -4.228) 9.207 3.566 ( -4.591 -2.651 0.152) 5.303 5.442 ( 4.891 2.824 0.754) 5.698 6.460 ( -3.914 -2.260 0.052) 4.520 6.495 ( -1.677 -0.968 -0.394) 1.976 7.271 ( 4.435 2.561 -6.501) 8.276 8.133 ( -9.489 -5.479 1.891) 11.119 8.578 ( -1.677 -0.968 -2.700) 3.323 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 17.236 9.951 -5.095) 20.544 1.256 ( 18.463 10.660 -7.838) 22.714 2.202 ( 1.219 0.704 2.101) 2.530 2.350 ( 21.086 12.174 10.178) 26.390 2.498 ( 13.341 7.703 -7.609) 17.182 3.457 ( -5.007 -2.891 2.983) 6.505 5.580 ( 7.007 4.046 0.840) 8.135 6.359 ( -4.564 -2.635 -0.477) 5.292 6.457 ( -1.369 -0.790 -0.476) 1.651 7.357 ( 3.570 2.061 -0.215) 4.128 7.910 ( -10.532 -6.080 0.635) 12.178 8.505 ( -3.401 -1.964 -4.949) 6.318 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 14.770 8.527 -5.279) 17.853 1.626 ( 16.352 9.441 -9.300) 21.048 2.240 ( 1.496 0.864 2.927) 3.399 2.567 ( 5.405 3.121 -2.605) 6.763 2.926 ( 15.253 8.806 -1.494) 17.676 3.399 ( 0.161 0.093 9.516) 9.518 5.756 ( 8.182 4.724 0.743) 9.476 6.273 ( -2.423 -1.399 -1.141) 3.022 6.435 ( -0.446 -0.257 -0.455) 0.687 7.408 ( -0.100 -0.058 4.156) 4.158 7.665 ( -10.764 -6.214 -2.318) 12.643 8.419 ( -2.376 -1.372 -5.343) 6.006 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 10.811 6.242 -5.269) 13.550 1.935 ( 13.318 7.689 -9.411) 18.030 2.287 ( 1.871 1.080 3.527) 4.136 2.657 ( 3.449 1.991 -3.440) 5.262 3.047 ( -1.658 -0.958 2.551) 3.190 3.566 ( 9.412 5.434 7.157) 13.013 5.941 ( 7.712 4.452 0.528) 8.920 6.259 ( 1.827 1.055 -1.706) 2.713 6.435 ( 0.545 0.314 -0.337) 0.713 7.322 ( -10.427 -6.020 6.195) 13.540 7.461 ( -4.373 -2.525 -5.588) 7.531 8.383 ( 0.337 0.195 -3.458) 3.480 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 5.954 3.437 -4.091) 8.000 2.170 ( 9.687 5.593 -7.666) 13.561 2.343 ( 2.077 1.199 2.999) 3.841 2.700 ( 0.919 0.530 -2.145) 2.393 2.990 ( -3.312 -1.912 5.873) 7.008 3.756 ( 5.652 3.263 2.372) 6.944 6.093 ( 5.371 3.101 0.268) 6.208 6.346 ( 6.212 3.586 -1.926) 7.427 6.454 ( 1.025 0.592 -0.164) 1.195 7.052 ( -13.007 -7.510 1.789) 15.125 7.382 ( -2.437 -1.407 -2.116) 3.521 8.402 ( 1.589 0.918 -1.305) 2.252 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 1.751 1.011 -1.486) 2.509 2.317 ( 4.260 2.460 -3.429) 5.996 2.387 ( 0.995 0.574 1.111) 1.598 2.688 ( -1.071 -0.618 -0.014) 1.237 2.956 ( -0.877 -0.506 2.660) 2.846 3.839 ( 1.588 0.917 0.388) 1.874 6.176 ( 1.866 1.078 0.068) 2.156 6.473 ( 0.547 0.316 -0.035) 0.632 6.519 ( 9.189 5.305 -1.594) 10.729 6.774 ( -11.518 -6.650 1.147) 13.349 7.339 ( -0.949 -0.548 -0.667) 1.283 8.430 ( 0.789 0.455 -0.250) 0.945 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 0.000 20.794 13.938) 25.033 0.507 ( 0.000 22.699 10.913) 25.186 0.805 ( 0.000 39.198 4.932) 39.507 2.140 ( -0.000 0.011 -2.442) 2.442 2.205 ( -0.000 5.660 -0.034) 5.660 3.653 ( 0.000 -4.383 1.676) 4.693 5.353 ( -0.000 2.657 -0.464) 2.697 6.522 ( -0.000 -2.113 -0.296) 2.134 6.531 ( 0.000 -1.214 0.277) 1.245 7.115 ( -0.000 12.135 -36.544) 38.506 8.332 ( 0.000 -8.725 3.922) 9.566 8.607 ( 0.000 0.294 4.712) 4.721 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 2.916 18.239 10.809) 21.401 0.884 ( 7.180 25.135 -1.419) 26.179 1.438 ( 23.918 29.436 10.669) 39.400 2.153 ( 2.059 0.133 -2.190) 3.009 2.287 ( 2.210 7.454 -1.633) 7.944 3.586 ( -2.224 -4.882 -1.123) 5.481 5.410 ( 2.878 3.900 0.016) 4.846 6.480 ( -1.842 -3.521 -0.250) 3.981 6.509 ( -1.005 -1.197 0.106) 1.566 7.184 ( 5.388 5.810 -17.664) 19.360 8.202 ( -5.575 -9.107 3.705) 11.303 8.599 ( -1.993 -0.280 0.123) 2.016 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 12.155 13.803 3.757) 18.772 1.239 ( 8.020 22.856 -4.935) 24.719 2.127 ( 20.192 17.060 6.709) 27.272 2.206 ( 6.130 5.319 3.016) 8.658 2.411 ( 4.817 8.589 -5.329) 11.197 3.488 ( -2.827 -5.301 -0.071) 6.008 5.524 ( 5.166 5.212 0.523) 7.357 6.393 ( -3.490 -4.235 -0.428) 5.504 6.481 ( -1.421 -0.126 -0.206) 1.441 7.289 ( 5.841 3.031 -7.301) 9.829 8.005 ( -8.292 -8.732 2.859) 12.376 8.533 ( -3.793 -1.890 -3.095) 5.248 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 14.406 10.730 -0.651) 17.974 1.567 ( 8.422 18.957 -6.638) 21.780 2.242 ( 1.855 2.685 0.597) 3.317 2.497 ( 5.561 3.793 -1.733) 6.951 2.767 ( 17.309 17.199 0.604) 24.408 3.410 ( -0.610 -3.970 5.167) 6.544 5.685 ( 6.802 6.281 0.770) 9.291 6.294 ( -3.052 -3.292 -0.895) 4.578 6.462 ( -1.430 1.643 -0.440) 2.223 7.382 ( 4.075 0.712 -1.735) 4.486 7.771 ( -10.129 -8.408 1.424) 13.241 8.432 ( -3.579 -2.532 -4.716) 6.439 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 12.982 8.074 -3.124) 15.604 1.850 ( 7.974 14.706 -7.408) 18.296 2.302 ( 0.971 4.086 2.018) 4.659 2.599 ( 4.313 2.273 -3.635) 6.081 3.051 ( 2.894 3.837 -0.531) 4.835 3.489 ( 8.079 3.653 8.710) 12.429 5.871 ( 7.120 6.636 0.822) 9.768 6.239 ( -0.034 -0.949 -1.440) 1.725 6.463 ( -1.208 3.414 -0.561) 3.664 7.414 ( -0.583 -1.370 2.271) 2.716 7.509 ( -10.698 -7.972 -2.216) 13.524 8.359 ( -0.419 -1.982 -3.935) 4.426 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 9.033 5.757 -3.688) 11.329 2.080 ( 7.087 10.532 -7.189) 14.588 2.365 ( 0.373 4.873 2.675) 5.571 2.668 ( 2.868 1.201 -2.809) 4.190 3.043 ( -2.993 -1.526 3.813) 5.081 3.695 ( 7.098 4.149 4.191) 9.228 6.047 ( 5.642 6.006 0.709) 8.271 6.274 ( 4.226 1.587 -1.789) 4.856 6.482 ( -1.002 4.505 -0.567) 4.650 7.212 ( -13.337 -6.954 1.377) 15.104 7.392 ( -1.337 -2.130 -2.191) 3.336 8.355 ( 2.617 -1.536 -1.829) 3.543 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 3.819 3.951 -2.656) 6.103 2.254 ( 5.735 6.438 -5.403) 10.175 2.419 ( -0.680 4.723 2.209) 5.259 2.696 ( 0.136 0.224 -1.274) 1.300 2.986 ( -2.751 -1.344 3.539) 4.680 3.815 ( 3.084 1.347 1.894) 3.861 6.173 ( 2.483 4.810 0.416) 5.429 6.388 ( 6.742 1.769 -1.427) 7.115 6.517 ( 0.169 5.568 -0.698) 5.614 6.928 ( -12.935 -5.439 0.658) 14.047 7.348 ( -1.218 -1.030 -0.980) 1.872 8.387 ( 3.044 -1.975 -0.471) 3.659 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -0.387 1.978 -0.592) 2.101 2.348 ( 0.706 1.829 -0.986) 2.195 2.437 ( -2.726 3.587 0.786) 4.573 2.687 ( -0.406 0.824 -0.409) 1.006 2.950 ( -0.997 -0.397 -0.943) 1.429 3.848 ( 0.003 -0.548 1.506) 1.603 6.219 ( -1.773 2.894 0.056) 3.394 6.458 ( 1.065 -1.383 -0.031) 1.746 6.618 ( 0.404 2.014 -0.414) 2.096 6.716 ( -3.391 3.369 0.212) 4.785 7.333 ( 0.216 0.123 0.129) 0.280 8.405 ( 1.770 -2.890 0.053) 3.390 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -4.157 -1.158 2.095) 4.797 2.298 ( -6.583 -1.603 4.448) 8.105 2.403 ( -4.559 2.672 -1.316) 5.446 2.704 ( 0.586 0.559 0.693) 1.066 2.945 ( 1.481 1.311 -5.823) 6.150 3.809 ( -3.828 -2.143 0.624) 4.432 6.170 ( -5.461 0.014 -0.255) 5.467 6.400 ( -4.376 -4.751 1.310) 6.591 6.524 ( -5.282 2.756 0.745) 6.004 6.918 ( 11.105 8.520 -1.625) 14.091 7.358 ( 2.001 0.656 1.354) 2.504 8.393 ( 0.546 -3.457 0.725) 3.575 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -8.763 -5.543 4.577) 11.334 2.143 ( -11.571 -1.695 6.938) 13.598 2.340 ( -4.763 2.517 -2.902) 6.119 2.692 ( -1.883 -1.935 2.538) 3.705 3.001 ( 4.201 2.969 -5.876) 7.810 3.665 ( -9.448 -4.420 -2.528) 10.733 6.041 ( -8.027 -2.135 -0.508) 8.321 6.289 ( -3.504 -2.932 1.766) 4.898 6.487 ( -3.540 3.371 0.546) 4.919 7.187 ( 11.376 7.749 -4.018) 14.339 7.418 ( 3.722 0.340 3.295) 4.983 8.374 ( 0.816 -2.760 2.299) 3.684 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -13.320 -8.893 5.408) 16.905 1.917 ( -16.142 -0.724 7.500) 17.814 2.280 ( -3.948 2.100 -3.010) 5.391 2.624 ( -3.985 -3.101 2.063) 5.455 3.063 ( -2.331 1.196 1.963) 3.274 3.408 ( -9.728 -5.497 -9.319) 14.550 5.865 ( -9.294 -2.975 -0.673) 9.782 6.252 ( 0.642 -0.589 1.372) 1.625 6.468 ( -2.436 2.861 0.528) 3.795 7.369 ( 3.928 2.867 -6.787) 8.350 7.545 ( 9.532 2.443 4.720) 10.913 8.395 ( 2.755 -0.705 4.107) 4.996 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -16.630 -10.177 4.699) 20.055 1.628 ( -20.438 0.811 7.031) 21.629 2.229 ( -3.031 1.120 -2.156) 3.884 2.494 ( -8.606 -4.494 -1.829) 9.880 2.780 ( -24.142 -6.137 2.991) 25.089 3.361 ( 6.529 0.556 -5.813) 8.760 5.678 ( -8.837 -2.682 -0.691) 9.261 6.301 ( 4.172 0.856 0.703) 4.317 6.466 ( -0.757 1.999 0.433) 2.181 7.376 ( -1.158 -0.844 -3.133) 3.445 7.770 ( 11.447 3.365 1.056) 11.978 8.471 ( 4.180 0.927 4.190) 5.991 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -18.479 -8.466 3.021) 20.549 1.286 ( -23.730 2.119 5.398) 24.429 2.063 ( -31.531 -8.038 -5.919) 33.074 2.191 ( -2.440 0.145 -1.636) 2.941 2.449 ( -10.588 -1.991 3.276) 11.261 3.483 ( 6.996 0.961 -1.066) 7.142 5.519 ( -7.096 -1.555 -0.491) 7.281 6.395 ( 5.280 0.879 0.150) 5.355 6.483 ( 0.798 0.964 0.248) 1.275 7.322 ( -2.944 -1.143 -0.055) 3.159 7.990 ( 11.130 2.229 -0.236) 11.353 8.557 ( 3.221 0.859 2.322) 4.063 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -18.846 -0.000 0.000) 18.846 0.893 ( -25.527 -0.000 0.000) 25.527 1.388 ( -39.157 -0.000 0.000) 39.157 2.162 ( -1.087 -0.000 0.000) 1.087 2.294 ( -7.680 -0.000 0.000) 7.680 3.591 ( 5.032 0.000 -0.000) 5.032 5.410 ( -4.798 -0.000 0.000) 4.798 6.481 ( 3.953 0.000 -0.000) 3.953 6.509 ( 1.515 0.000 -0.000) 1.515 7.267 ( -2.690 -0.000 0.000) 2.690 8.183 ( 10.176 0.000 -0.000) 10.176 8.598 ( 0.544 0.000 -0.000) 0.544 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 0.000 20.188 12.503) 23.746 1.013 ( 0.000 22.904 9.061) 24.631 1.578 ( 0.000 36.522 4.954) 36.856 2.119 ( -0.000 0.012 -4.623) 4.623 2.354 ( -0.000 9.456 -0.705) 9.482 3.541 ( -0.000 -6.701 -2.603) 7.189 5.429 ( -0.000 5.487 -0.652) 5.525 6.456 ( -0.000 -4.298 -0.412) 4.318 6.502 ( 0.000 -1.829 0.407) 1.874 7.146 ( -0.000 7.141 -17.849) 19.225 8.160 ( 0.000 -10.882 3.764) 11.514 8.618 ( 0.000 -1.062 1.100) 1.529 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -3.515 20.715 12.732) 24.567 1.346 ( 5.532 21.916 1.080) 22.629 2.062 ( 12.420 25.600 4.193) 28.761 2.145 ( 5.406 3.076 -1.649) 6.435 2.457 ( 0.961 11.511 -2.650) 11.851 3.452 ( -0.950 -7.589 -2.361) 8.005 5.513 ( 2.926 6.752 -0.191) 7.361 6.393 ( -1.932 -4.751 -0.344) 5.140 6.487 ( 0.062 -1.058 0.210) 1.081 7.202 ( 4.387 4.229 -11.871) 13.344 8.026 ( -4.192 -10.725 3.439) 12.017 8.574 ( -3.374 -1.991 -0.615) 3.966 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 2.609 18.351 8.678) 20.466 1.630 ( 4.967 19.176 -3.538) 20.122 2.206 ( 4.999 2.756 -3.778) 6.845 2.460 ( 4.720 6.724 2.158) 8.494 2.709 ( 11.926 22.513 -1.240) 25.506 3.368 ( 0.452 -6.885 1.723) 7.112 5.654 ( 5.131 7.831 0.563) 9.379 6.306 ( -2.792 -3.915 -0.619) 4.848 6.489 ( 0.192 1.130 -0.242) 1.172 7.287 ( 5.647 0.694 -6.834) 8.892 7.838 ( -7.110 -9.813 3.126) 12.515 8.470 ( -5.138 -2.673 -2.612) 6.353 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 5.845 14.314 3.887) 15.942 1.873 ( 5.214 15.642 -5.100) 17.259 2.316 ( 3.846 5.029 -1.095) 6.425 2.553 ( 2.594 3.284 -2.187) 4.722 3.036 ( 4.960 8.328 -3.112) 10.180 3.407 ( 7.558 1.928 7.710) 10.967 5.835 ( 6.197 8.374 1.187) 10.485 6.235 ( -1.466 -1.712 -1.173) 2.541 6.514 ( -0.080 3.788 -0.799) 3.872 7.350 ( 4.253 -2.384 -4.629) 6.723 7.616 ( -9.597 -8.293 3.167) 13.073 8.355 ( -3.566 -2.793 -3.269) 5.586 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 6.576 10.386 0.603) 12.307 2.079 ( 4.593 12.314 -5.211) 14.138 2.418 ( 1.432 6.516 1.011) 6.748 2.619 ( 3.190 1.693 -2.279) 4.270 3.074 ( -0.905 -0.998 1.006) 1.682 3.623 ( 8.019 5.451 4.107) 10.530 6.021 ( 5.643 7.712 1.564) 9.683 6.230 ( 1.886 1.169 -1.723) 2.809 6.551 ( -0.800 5.596 -1.263) 5.792 7.326 ( -4.136 -6.492 -5.775) 9.623 7.401 ( -6.094 -3.270 4.541) 8.274 8.294 ( 0.640 -2.908 -2.106) 3.647 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 4.758 7.648 -0.741) 9.037 2.235 ( 3.538 8.593 -4.607) 10.372 2.494 ( -0.493 6.136 2.145) 6.519 2.675 ( 2.295 0.917 -1.443) 2.862 3.038 ( -2.781 -0.433 2.493) 3.760 3.769 ( 4.394 1.527 1.563) 4.907 6.175 ( 3.932 6.019 1.336) 7.312 6.308 ( 4.839 3.128 -1.610) 5.983 6.583 ( -1.346 5.483 -1.530) 5.849 7.096 ( -11.792 -4.175 -0.599) 12.524 7.351 ( -0.835 -1.340 -0.248) 1.598 8.297 ( 3.525 -3.695 -0.708) 5.156 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 0.663 5.427 -0.828) 5.529 2.342 ( 2.404 4.700 -2.813) 5.982 2.526 ( -2.291 3.686 2.080) 4.812 2.703 ( 0.251 1.153 -0.673) 1.358 2.992 ( -3.704 1.782 -0.043) 4.110 3.828 ( 2.190 -1.217 1.709) 3.033 6.272 ( 0.488 4.584 0.632) 4.654 6.409 ( 3.747 1.071 -0.684) 3.956 6.614 ( 0.956 3.244 -1.431) 3.672 6.887 ( -10.574 2.480 0.517) 10.873 7.335 ( -0.281 0.042 -0.189) 0.341 8.319 ( 3.684 -4.805 -0.093) 6.055 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -3.659 2.184 0.306) 4.272 2.375 ( -1.898 1.165 0.643) 2.318 2.508 ( -3.614 2.689 0.416) 4.524 2.710 ( -0.282 0.658 0.141) 0.730 2.953 ( -2.676 3.286 -4.254) 6.004 3.834 ( -0.501 -2.067 2.338) 3.161 6.265 ( -4.725 1.342 -0.121) 4.914 6.420 ( -1.759 -2.361 0.458) 2.980 6.633 ( -2.281 1.537 0.641) 2.825 6.873 ( 2.380 10.428 -0.942) 10.737 7.341 ( 0.778 0.354 0.535) 1.008 8.322 ( 2.681 -5.430 0.280) 6.063 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -7.711 -2.036 2.102) 8.248 2.309 ( -7.051 0.200 3.316) 7.794 2.460 ( -5.424 3.647 -1.210) 6.647 2.700 ( -0.725 -2.051 1.442) 2.610 2.959 ( 1.363 3.946 -6.339) 7.590 3.766 ( -6.050 -2.640 1.193) 6.708 6.159 ( -7.433 -0.959 -0.391) 7.505 6.334 ( -4.461 -2.737 1.155) 5.359 6.607 ( -4.623 4.629 1.060) 6.627 7.077 ( 9.287 8.783 -2.532) 13.031 7.370 ( 2.373 -0.609 1.663) 2.961 8.314 ( 2.410 -4.669 1.124) 5.374 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -11.923 -4.321 3.133) 13.063 2.163 ( -11.435 0.057 3.611) 11.992 2.393 ( -6.197 3.726 -1.506) 7.386 2.652 ( -2.281 -3.064 1.474) 4.094 3.038 ( 5.167 3.263 -3.236) 6.915 3.567 ( -13.903 -3.832 -1.739) 14.526 6.002 ( -9.354 -1.465 -0.493) 9.481 6.256 ( -2.065 -1.352 1.121) 2.711 6.569 ( -4.948 3.796 0.733) 6.279 7.298 ( 7.506 6.420 -5.957) 11.535 7.427 ( 5.912 -1.862 4.527) 7.675 8.334 ( 3.657 -2.382 2.156) 4.868 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -16.264 -3.784 2.279) 16.853 1.950 ( -15.089 0.302 2.834) 15.356 2.316 ( -5.675 2.029 -1.017) 6.112 2.570 ( -4.787 -2.323 0.278) 5.328 3.127 ( -9.360 2.688 6.973) 11.977 3.253 ( -5.664 -4.397 -9.453) 11.865 5.820 ( -10.090 -1.137 -0.351) 10.160 6.252 ( 1.924 -0.093 0.553) 2.004 6.524 ( -3.571 1.802 0.336) 4.014 7.370 ( 0.511 0.560 -2.816) 2.917 7.598 ( 11.615 0.978 1.549) 11.759 8.404 ( 5.100 -0.287 1.936) 5.463 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -18.971 -0.000 0.000) 18.971 1.668 ( -19.237 -0.000 0.000) 19.237 2.241 ( -3.955 -0.000 0.000) 3.955 2.425 ( -13.019 -0.000 0.000) 13.019 2.732 ( -24.977 -0.000 0.000) 24.977 3.349 ( 8.748 0.000 -0.000) 8.748 5.649 ( -9.098 -0.000 0.000) 9.098 6.312 ( 4.691 0.000 -0.000) 4.691 6.491 ( -1.250 -0.000 0.000) 1.250 7.355 ( -1.633 -0.000 0.000) 1.633 7.806 ( 11.756 0.000 -0.000) 11.756 8.495 ( 4.926 0.000 -0.000) 4.926 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 0.000 18.672 10.439) 21.392 1.497 ( 0.000 21.486 6.480) 22.442 2.087 ( -0.000 0.025 -6.232) 6.232 2.252 ( 0.000 26.572 5.413) 27.118 2.568 ( -0.000 15.316 -3.748) 15.768 3.367 ( -0.000 -9.109 -2.527) 9.453 5.560 ( -0.000 8.195 -0.466) 8.208 6.365 ( 0.000 -4.378 0.011) 4.378 6.470 ( 0.000 -1.601 0.321) 1.633 7.169 ( -0.000 3.417 -11.206) 11.715 7.961 ( 0.000 -11.266 2.946) 11.645 8.583 ( -0.000 -2.533 -0.053) 2.533 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -3.637 18.820 11.226) 22.213 1.741 ( 2.462 17.648 0.384) 17.823 2.121 ( 5.421 1.695 -5.741) 8.076 2.488 ( 2.304 9.750 2.250) 10.268 2.788 ( 5.172 23.820 -4.322) 24.755 3.281 ( 1.071 -8.125 1.570) 8.345 5.670 ( 2.927 9.169 0.093) 9.626 6.309 ( -1.912 -3.272 -0.019) 3.790 6.474 ( 1.728 -0.326 0.060) 1.760 7.190 ( 3.328 0.374 -8.503) 9.139 7.833 ( -3.190 -10.582 2.593) 11.352 8.521 ( -3.937 -2.719 -0.945) 4.877 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -1.689 15.522 8.013) 17.550 1.937 ( 3.424 14.282 -2.756) 14.943 2.257 ( 7.422 4.994 -3.150) 9.484 2.566 ( 0.265 4.439 -1.870) 4.824 3.025 ( 3.285 5.298 -6.023) 8.668 3.338 ( 6.996 6.799 7.978) 12.602 5.832 ( 4.920 9.632 1.070) 10.869 6.248 ( -2.116 -1.259 -0.628) 2.541 6.520 ( 2.577 2.188 -0.635) 3.440 7.225 ( 4.643 -3.206 -6.212) 8.392 7.669 ( -5.549 -8.916 2.675) 10.837 8.405 ( -5.742 -2.505 -1.879) 6.540 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 1.523 11.712 3.989) 12.466 2.121 ( 3.474 12.101 -2.696) 12.875 2.422 ( 5.630 6.241 -0.851) 8.448 2.602 ( 0.772 3.090 -1.816) 3.666 3.044 ( 2.103 -3.648 -0.925) 4.311 3.578 ( 6.434 9.497 3.555) 12.009 6.017 ( 5.133 8.885 2.025) 10.459 6.223 ( -0.173 1.464 -1.449) 2.067 6.590 ( 1.828 4.300 -1.649) 4.955 7.238 ( 3.594 -5.425 -5.128) 8.285 7.495 ( -6.947 -6.027 3.145) 9.720 8.288 ( -3.991 -2.459 -1.824) 5.030 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 3.107 9.764 2.250) 10.490 2.262 ( 2.256 8.593 -3.017) 9.382 2.547 ( 2.079 5.048 0.781) 5.515 2.647 ( 1.578 2.158 -0.098) 2.675 3.055 ( 1.859 -0.598 0.978) 2.184 3.725 ( 2.997 3.194 0.360) 4.395 6.172 ( 3.611 6.069 2.056) 7.355 6.274 ( 3.160 4.497 -1.486) 5.693 6.639 ( -0.284 3.588 -2.496) 4.380 7.195 ( -2.816 -3.133 -3.242) 5.315 7.364 ( -3.445 -2.579 2.304) 4.882 8.221 ( 0.010 -3.527 -0.932) 3.648 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 1.440 8.220 1.024) 8.408 2.352 ( 1.391 5.376 -2.348) 6.029 2.589 ( -1.277 1.792 1.590) 2.714 2.688 ( 1.705 -0.056 0.542) 1.791 3.091 ( -1.733 6.210 -0.028) 6.447 3.767 ( 2.419 -2.410 0.048) 3.414 6.285 ( 3.252 4.659 0.876) 5.749 6.373 ( 2.879 3.614 -0.352) 4.634 6.631 ( -1.366 -0.218 -2.355) 2.732 7.090 ( -8.220 4.399 -0.267) 9.327 7.336 ( 0.231 -0.341 0.202) 0.458 8.205 ( 2.986 -5.361 -0.240) 6.141 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -3.142 5.455 0.333) 6.304 2.403 ( 0.306 2.738 -0.843) 2.881 2.568 ( -1.970 0.381 1.098) 2.287 2.701 ( 0.926 -2.069 0.192) 2.275 3.092 ( -6.791 8.943 -2.523) 11.509 3.786 ( 3.460 -3.954 1.808) 5.557 6.345 ( -2.207 2.403 0.184) 3.268 6.418 ( 0.364 0.013 -0.078) 0.373 6.619 ( 2.478 -0.729 -0.587) 2.649 7.033 ( -6.517 10.402 0.125) 12.276 7.341 ( -0.026 0.327 -0.062) 0.334 8.206 ( 3.851 -6.305 0.046) 7.388 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -7.637 1.029 0.634) 7.732 2.403 ( -2.699 1.158 0.955) 3.088 2.552 ( -1.948 2.315 -0.510) 3.068 2.683 ( 0.128 -3.189 0.333) 3.209 3.036 ( -6.605 6.199 -3.693) 9.782 3.800 ( 0.251 -2.466 2.095) 3.245 6.267 ( -6.454 -0.675 -0.146) 6.491 6.386 ( -3.340 -1.181 0.317) 3.557 6.678 ( 1.912 1.966 0.719) 2.835 7.079 ( -0.057 10.454 -0.916) 10.494 7.339 ( 0.555 -1.320 0.420) 1.492 8.214 ( 3.808 -5.146 0.370) 6.413 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -10.200 -1.047 0.906) 10.294 2.331 ( -7.258 0.354 1.182) 7.362 2.523 ( -4.809 2.922 -0.696) 5.670 2.651 ( -0.542 -2.776 0.692) 2.912 3.003 ( -0.250 2.462 -2.588) 3.580 3.730 ( -7.428 -1.333 0.683) 7.577 6.138 ( -7.855 -0.655 -0.166) 7.884 6.304 ( -4.410 -0.853 0.428) 4.512 6.686 ( -3.806 2.241 0.613) 4.459 7.220 ( 6.771 6.626 -2.405) 9.775 7.343 ( 2.232 -3.103 1.722) 4.193 8.245 ( 4.240 -2.336 0.645) 4.884 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -13.160 -0.000 0.000) 13.160 2.175 ( -11.281 -0.000 0.000) 11.281 2.436 ( -6.739 -0.000 0.000) 6.739 2.617 ( -2.142 -0.000 0.000) 2.142 3.066 ( 6.200 0.000 -0.000) 6.200 3.519 ( -16.578 -0.000 0.000) 16.578 5.985 ( -9.713 -0.000 0.000) 9.713 6.247 ( -1.545 -0.000 0.000) 1.545 6.614 ( -5.426 -0.000 0.000) 5.426 7.354 ( 1.466 0.000 -0.000) 1.466 7.411 ( 10.869 0.000 -0.000) 10.869 8.315 ( 5.058 0.000 -0.000) 5.058 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 0.000 15.898 8.264) 17.917 1.911 ( 0.000 17.493 3.158) 17.776 2.049 ( -0.000 0.162 -7.083) 7.085 2.559 ( -0.000 6.607 -1.269) 6.728 2.940 ( -0.000 15.662 -8.278) 17.716 3.226 ( 0.000 0.440 7.913) 7.925 5.737 ( -0.000 9.878 -0.060) 9.878 6.304 ( 0.000 -1.571 0.445) 1.633 6.447 ( 0.000 -0.736 0.086) 0.741 7.135 ( -0.000 -1.343 -7.659) 7.776 7.762 ( 0.000 -10.286 1.765) 10.436 8.528 ( -0.000 -2.661 -0.628) 2.734 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -4.213 9.173 4.094) 10.893 2.019 ( 1.742 12.622 -0.385) 12.748 2.174 ( 7.585 7.673 -2.254) 11.022 2.595 ( 0.066 3.058 -5.319) 6.135 2.974 ( 1.302 -4.114 -3.327) 5.449 3.390 ( 3.489 17.231 7.623) 19.163 5.862 ( 3.075 10.005 0.514) 10.480 6.279 ( -2.059 0.362 -0.013) 2.090 6.476 ( 3.433 0.615 -0.229) 3.495 7.111 ( 2.377 -4.091 -5.925) 7.582 7.651 ( -2.238 -9.011 1.328) 9.379 8.466 ( -4.030 -2.160 -0.982) 4.676 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 0.054 6.914 0.594) 6.940 2.181 ( 2.289 10.822 0.739) 11.086 2.372 ( 7.175 7.549 -0.565) 10.430 2.612 ( 1.255 2.460 -5.307) 5.983 2.943 ( 2.406 -6.815 1.130) 7.315 3.627 ( 2.862 14.052 3.739) 14.820 6.030 ( 4.631 9.324 1.566) 10.528 6.255 ( -1.739 2.466 -0.959) 3.166 6.561 ( 4.556 2.330 -1.247) 5.267 7.098 ( 3.974 -6.213 -4.089) 8.433 7.526 ( -3.597 -6.894 1.223) 7.872 8.356 ( -6.023 -1.470 -1.159) 6.307 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 3.189 7.619 1.574) 8.408 2.299 ( 1.852 6.673 -1.412) 7.068 2.533 ( 3.907 4.336 1.009) 5.923 2.665 ( 1.341 4.460 -1.354) 4.850 2.955 ( 6.453 -4.471 1.037) 7.919 3.756 ( -0.714 7.029 0.472) 7.080 6.186 ( 3.087 6.678 2.264) 7.697 6.279 ( 1.181 4.967 -1.497) 5.321 6.640 ( 2.219 1.598 -2.657) 3.813 7.114 ( 5.557 -4.323 -2.237) 7.388 7.409 ( -3.956 -4.123 1.206) 5.840 8.240 ( -5.243 -1.574 -0.850) 5.540 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 3.169 7.775 1.755) 8.578 2.376 ( 1.382 4.534 -1.427) 4.951 2.603 ( 1.589 1.056 0.457) 1.962 2.682 ( -1.723 -0.546 1.845) 2.583 3.100 ( 8.748 5.066 0.298) 10.114 3.748 ( -3.334 -0.322 -1.334) 3.605 6.283 ( 2.327 4.991 0.648) 5.545 6.368 ( 2.644 4.463 0.187) 5.191 6.634 ( -1.315 -2.259 -2.799) 3.830 7.185 ( 3.164 2.801 -1.245) 4.405 7.331 ( -1.746 -1.627 1.148) 2.648 8.149 ( -2.421 -3.278 -0.379) 4.093 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -0.072 6.270 0.725) 6.312 2.427 ( 0.064 3.827 -0.300) 3.840 2.603 ( -2.250 -0.663 0.748) 2.462 2.650 ( 1.316 -3.787 0.582) 4.051 3.275 ( -0.382 11.650 -0.594) 11.671 3.674 ( 1.365 -6.913 -0.306) 7.054 6.374 ( 2.199 4.193 -0.064) 4.735 6.427 ( -0.065 1.789 0.634) 1.899 6.569 ( -0.208 -3.830 -1.482) 4.112 7.222 ( -3.939 7.300 -0.072) 8.295 7.336 ( 1.426 0.157 0.065) 1.436 8.097 ( 1.300 -5.038 -0.082) 5.203 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -6.784 2.382 0.305) 7.196 2.444 ( -1.101 1.534 0.199) 1.899 2.582 ( 0.270 1.185 0.018) 1.215 2.637 ( 0.966 -3.627 -0.030) 3.753 3.249 ( -11.134 6.271 -1.560) 12.873 3.712 ( 7.273 -3.528 1.173) 8.168 6.367 ( -5.790 0.132 -0.036) 5.792 6.418 ( -0.972 0.212 -0.075) 0.997 6.607 ( 6.102 -0.253 0.068) 6.108 7.228 ( -4.194 8.080 0.299) 9.109 7.328 ( -1.284 -2.148 -0.362) 2.529 8.100 ( 4.069 -3.576 0.061) 5.418 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -9.431 -0.000 0.000) 9.431 2.420 ( -2.987 -0.000 0.000) 2.987 2.594 ( -1.802 -0.000 0.000) 1.802 2.626 ( 1.265 0.000 -0.000) 1.265 3.094 ( -8.701 -0.000 0.000) 8.701 3.778 ( 1.081 0.000 -0.000) 1.081 6.257 ( -6.783 -0.000 0.000) 6.783 6.376 ( -3.861 -0.000 0.000) 3.861 6.702 ( 3.512 0.000 -0.000) 3.512 7.216 ( -2.156 -0.000 0.000) 2.156 7.300 ( 0.955 0.000 -0.000) 0.955 8.158 ( 4.565 0.000 -0.000) 4.565 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -0.000 -0.126 -5.138) 5.140 2.137 ( 0.000 12.470 4.495) 13.255 2.193 ( -0.000 10.049 -2.358) 10.322 2.585 ( -0.000 0.013 -8.456) 8.456 2.914 ( 0.000 -5.310 3.212) 6.206 3.568 ( 0.000 18.955 6.255) 19.961 5.931 ( 0.000 9.442 0.255) 9.446 6.316 ( -0.000 2.600 -0.026) 2.601 6.443 ( -0.000 0.313 -0.114) 0.333 7.029 ( -0.000 -5.555 -4.527) 7.166 7.586 ( 0.000 -8.191 0.407) 8.201 8.480 ( -0.000 -1.740 -0.788) 1.910 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 1.183 1.532 -3.700) 4.175 2.243 ( 0.793 5.780 -1.420) 6.004 2.332 ( 6.506 8.358 -0.822) 10.624 2.573 ( 1.440 0.392 -5.801) 5.990 2.879 ( -0.263 -4.542 5.180) 6.894 3.760 ( 0.267 15.037 4.313) 15.646 6.050 ( 3.422 8.396 0.687) 9.093 6.321 ( -2.435 3.953 -0.802) 4.711 6.494 ( 4.484 1.389 -0.542) 4.726 6.973 ( 1.913 -6.956 -2.712) 7.707 7.501 ( -1.379 -6.614 -0.032) 6.756 8.429 ( -3.848 -1.025 -0.769) 4.056 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 4.776 3.841 -0.718) 6.171 2.297 ( 2.990 1.327 -3.696) 4.936 2.526 ( 4.590 6.615 2.196) 8.346 2.624 ( 6.279 2.837 -4.731) 8.358 2.843 ( 0.135 -4.838 4.673) 6.728 3.872 ( -2.517 9.062 1.742) 9.566 6.198 ( 4.164 6.614 1.498) 7.958 6.325 ( -1.382 4.971 -1.420) 5.351 6.587 ( 4.367 1.092 -1.846) 4.865 6.956 ( 5.308 -6.282 -0.803) 8.263 7.417 ( -1.957 -4.429 -0.139) 4.844 8.333 ( -6.179 -0.418 -0.593) 6.222 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 5.831 5.033 1.071) 7.777 2.358 ( 4.058 0.886 -2.253) 4.725 2.594 ( 0.605 1.582 1.070) 2.003 2.728 ( -2.197 1.115 0.370) 2.491 2.918 ( 13.960 0.421 0.897) 13.995 3.856 ( -6.662 3.211 -0.345) 7.404 6.305 ( 1.665 4.859 0.836) 5.204 6.371 ( 1.483 3.944 -0.364) 4.230 6.616 ( 0.067 -2.018 -2.291) 3.053 7.054 ( 10.508 -1.482 0.017) 10.612 7.353 ( -1.791 -1.841 0.011) 2.569 8.215 ( -6.787 -0.673 -0.317) 6.827 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 3.638 2.898 0.272) 4.659 2.442 ( 4.077 2.859 -0.108) 4.981 2.608 ( 0.177 -0.952 0.535) 1.106 2.653 ( -4.875 -1.591 0.575) 5.160 3.209 ( 15.781 4.016 0.326) 16.288 3.717 ( -10.139 -1.338 -0.917) 10.268 6.380 ( 1.843 4.404 -0.259) 4.781 6.424 ( 2.166 0.556 0.870) 2.399 6.557 ( -2.773 -3.014 -1.354) 4.314 7.235 ( 9.083 1.593 -0.336) 9.227 7.321 ( -1.166 0.086 0.342) 1.219 8.098 ( -5.228 -1.490 -0.109) 5.437 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 0.284 0.000 -0.000) 0.284 2.521 ( -6.246 -0.000 0.000) 6.246 2.539 ( 3.957 0.000 -0.000) 3.957 2.616 ( -0.229 -0.000 0.000) 0.229 3.498 ( -12.966 -0.000 0.000) 12.966 3.500 ( 14.126 0.000 -0.000) 14.126 6.422 ( 0.587 0.000 -0.000) 0.587 6.465 ( -5.166 -0.000 0.000) 5.166 6.499 ( 5.535 0.000 -0.000) 5.535 7.306 ( -0.947 -0.000 0.000) 0.947 7.337 ( 0.946 0.000 -0.000) 0.946 8.039 ( 0.077 0.000 -0.000) 0.077 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -0.000 -0.050 -4.028) 4.028 2.222 ( -0.000 -2.412 -10.067) 10.352 2.359 ( 0.000 7.827 2.925) 8.356 2.571 ( -0.000 2.776 -1.108) 2.989 2.865 ( 0.000 -2.793 4.883) 5.625 3.911 ( 0.000 12.461 3.893) 13.055 6.092 ( 0.000 6.487 0.261) 6.493 6.397 ( -0.000 5.758 -1.425) 5.932 6.457 ( -0.000 1.039 -0.120) 1.046 6.881 ( -0.000 -7.499 -0.983) 7.563 7.451 ( -0.000 -5.427 -0.571) 5.457 8.452 ( -0.000 -0.679 -0.594) 0.903 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 4.631 1.303 -1.571) 5.061 2.197 ( 4.024 -3.703 -7.638) 9.394 2.480 ( 5.896 5.256 1.357) 8.015 2.599 ( 0.073 2.537 -0.042) 2.538 2.843 ( -1.292 -2.114 3.438) 4.238 4.005 ( -2.111 7.828 2.267) 8.419 6.183 ( 3.974 4.607 0.453) 6.101 6.405 ( -2.710 4.562 -1.298) 5.462 6.524 ( 4.031 2.182 -1.059) 4.705 6.825 ( 2.353 -6.947 0.459) 7.349 7.398 ( -0.756 -3.598 -0.590) 3.723 8.415 ( -3.601 -0.224 -0.403) 3.630 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 7.471 3.611 1.766) 8.484 2.237 ( 6.714 -3.371 -4.610) 8.814 2.612 ( -0.175 1.463 0.893) 1.723 2.674 ( 11.546 2.800 -1.252) 11.946 2.800 ( -2.433 -1.845 2.321) 3.835 3.997 ( -5.613 3.049 0.551) 6.411 6.296 ( 4.223 2.595 0.581) 4.990 6.405 ( -1.372 2.903 -0.766) 3.301 6.584 ( 1.581 -0.137 -1.198) 1.989 6.862 ( 8.425 -2.935 0.630) 8.943 7.357 ( -0.883 -1.488 -0.292) 1.754 8.328 ( -6.261 -0.010 -0.177) 6.263 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 5.099 0.000 -0.000) 5.099 2.342 ( 8.023 0.000 -0.000) 8.023 2.612 ( -0.472 -0.000 0.000) 0.472 2.731 ( -4.497 -0.000 0.000) 4.497 2.936 ( 16.781 0.000 -0.000) 16.781 3.885 ( -9.085 -0.000 0.000) 9.085 6.370 ( 2.943 0.000 -0.000) 2.943 6.404 ( -0.245 -0.000 0.000) 0.245 6.579 ( -1.234 -0.000 0.000) 1.234 7.041 ( 12.757 0.000 -0.000) 12.757 7.337 ( -0.765 -0.000 0.000) 0.765 8.208 ( -7.509 -0.000 0.000) 7.509 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -0.000 -0.014 -1.467) 1.467 2.109 ( -0.000 -2.519 -4.494) 5.152 2.473 ( 0.000 2.671 0.966) 2.840 2.622 ( 0.000 1.565 0.238) 1.583 2.848 ( 0.000 -1.013 1.675) 1.957 4.091 ( 0.000 4.240 1.385) 4.461 6.179 ( 0.000 2.172 0.082) 2.174 6.475 ( -0.000 0.658 -0.025) 0.658 6.503 ( -0.000 5.050 -1.838) 5.374 6.745 ( 0.000 -5.544 1.138) 5.660 7.374 ( -0.000 -1.948 -0.432) 1.995 8.443 ( -0.000 -0.119 -0.212) 0.243 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 7.651 0.000 -0.000) 7.651 2.118 ( 3.301 0.000 -0.000) 3.301 2.536 ( 5.769 0.000 -0.000) 5.769 2.627 ( -0.290 -0.000 0.000) 0.290 2.832 ( -1.489 -0.000 0.000) 1.489 4.089 ( -2.950 -0.000 0.000) 2.950 6.230 ( 4.345 0.000 -0.000) 4.345 6.451 ( -2.198 -0.000 0.000) 2.198 6.555 ( 2.066 0.000 -0.000) 2.066 6.743 ( 3.469 0.000 -0.000) 3.469 7.360 ( -0.493 -0.000 0.000) 0.493 8.412 ( -3.491 -0.000 0.000) 3.491 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.210 ( 0.000 -0.000 23.719) 23.719 0.210 ( 0.000 -0.000 23.719) 23.719 0.368 ( 0.000 -0.000 41.621) 41.621 2.139 ( -0.000 0.000 -1.826) 1.826 2.139 ( -0.000 0.000 -1.826) 1.826 4.122 ( -0.000 0.000 -5.152) 5.152 5.328 ( -0.000 0.000 -0.034) 0.034 5.328 ( -0.000 0.000 -0.034) 0.034 6.543 ( 0.000 -0.000 0.069) 0.069 6.543 ( 0.000 -0.000 0.069) 0.069 8.427 ( 0.000 -0.000 1.207) 1.207 8.758 ( -0.000 0.000 -0.468) 0.468 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 14.585 8.421 7.065) 18.264 0.472 ( 12.952 7.478 14.297) 20.690 1.010 ( 32.146 18.559 21.183) 42.738 2.152 ( 0.993 0.573 -1.152) 1.626 2.171 ( 3.846 2.221 -3.646) 5.746 3.667 ( -6.070 -3.504 2.036) 7.299 5.360 ( 2.614 1.509 0.361) 3.040 6.526 ( -1.774 -1.024 0.141) 2.053 6.527 ( -1.225 -0.707 -0.130) 1.421 6.868 ( 28.468 16.436 -49.143) 59.124 8.356 ( -7.397 -4.271 4.202) 9.519 8.616 ( -3.532 -2.039 3.934) 5.667 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 16.907 9.761 0.847) 19.541 0.835 ( 16.201 9.354 3.431) 19.019 1.783 ( 30.928 17.856 14.208) 38.435 2.177 ( 1.430 0.826 -0.389) 1.697 2.277 ( 6.322 3.650 -5.309) 9.026 3.560 ( -4.094 -2.364 -1.656) 5.009 5.448 ( 4.980 2.875 0.603) 5.782 6.460 ( -4.046 -2.336 -0.192) 4.675 6.492 ( -1.740 -1.005 -0.279) 2.029 7.160 ( 11.084 6.399 -17.534) 21.708 8.163 ( -10.273 -5.931 4.540) 12.702 8.556 ( -3.055 -1.764 -2.361) 4.245 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 16.408 9.473 -1.580) 19.012 1.208 ( 16.499 9.526 -2.871) 19.267 2.213 ( 1.772 1.023 0.499) 2.107 2.409 ( 6.651 3.840 -6.585) 10.117 2.460 ( 25.334 14.627 8.773) 30.541 3.477 ( -2.813 -1.624 1.396) 3.536 5.586 ( 7.026 4.057 0.676) 8.142 6.354 ( -4.758 -2.747 -0.650) 5.532 6.454 ( -1.399 -0.808 -0.360) 1.655 7.327 ( 6.801 3.926 -6.328) 10.085 7.927 ( -11.584 -6.688 3.170) 13.747 8.461 ( -3.973 -2.294 -4.893) 6.708 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 14.208 8.203 -3.056) 16.689 1.555 ( 15.339 8.856 -6.639) 18.915 2.259 ( 2.042 1.179 1.515) 2.802 2.530 ( 5.521 3.187 -5.740) 8.578 2.930 ( 13.390 7.731 2.157) 15.612 3.474 ( 2.476 1.429 7.359) 7.895 5.762 ( 8.144 4.702 0.627) 9.425 6.263 ( -2.643 -1.526 -1.097) 3.243 6.431 ( -0.437 -0.252 -0.366) 0.623 7.419 ( 2.191 1.265 -1.981) 3.213 7.659 ( -12.745 -7.358 1.274) 14.772 8.374 ( -1.975 -1.140 -4.771) 5.288 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 10.614 6.128 -3.973) 12.884 1.857 ( 13.241 7.645 -8.064) 17.285 2.314 ( 2.203 1.272 2.463) 3.541 2.623 ( 3.998 2.309 -4.152) 6.210 3.067 ( 0.168 0.097 2.082) 2.091 3.630 ( 7.516 4.339 7.120) 11.226 5.945 ( 7.631 4.406 0.485) 8.825 6.245 ( 1.651 0.953 -1.477) 2.411 6.432 ( 0.593 0.343 -0.290) 0.744 7.363 ( -13.547 -7.821 0.896) 15.669 7.417 ( -1.466 -0.847 -2.334) 2.884 8.356 ( 1.177 0.679 -2.554) 2.893 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 6.457 3.728 -3.916) 8.422 2.103 ( 10.506 6.066 -7.477) 14.250 2.369 ( 1.813 1.047 2.761) 3.465 2.680 ( 1.710 0.987 -2.419) 3.122 3.031 ( -3.152 -1.820 3.421) 4.996 3.786 ( 4.411 2.547 4.268) 6.645 6.095 ( 5.278 3.047 0.276) 6.100 6.330 ( 6.175 3.565 -1.665) 7.322 6.452 ( 1.087 0.628 -0.143) 1.264 7.060 ( -13.089 -7.557 -0.102) 15.114 7.367 ( -2.019 -1.165 -1.257) 2.648 8.393 ( 2.069 1.194 -0.749) 2.503 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 2.854 1.648 -2.564) 4.176 2.280 ( 6.479 3.740 -4.826) 8.902 2.401 ( 0.194 0.112 1.980) 1.993 2.684 ( -0.603 -0.348 -0.848) 1.098 2.971 ( -2.472 -1.427 0.671) 2.932 3.856 ( 0.930 0.537 3.392) 3.558 6.177 ( 1.805 1.042 0.088) 2.086 6.473 ( 0.578 0.334 -0.014) 0.667 6.505 ( 9.351 5.399 -1.611) 10.917 6.782 ( -11.253 -6.497 0.695) 13.012 7.334 ( -0.508 -0.293 -0.297) 0.657 8.428 ( 0.959 0.553 -0.071) 1.109 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -0.334 -0.193 -0.078) 0.394 2.339 ( -1.394 -0.805 1.567) 2.247 2.383 ( -2.088 -1.205 0.181) 2.417 2.683 ( 1.474 0.851 -1.061) 2.006 2.925 ( -0.955 -0.552 -4.062) 4.209 3.849 ( -2.472 -1.427 2.690) 3.922 6.176 ( -1.926 -1.112 -0.036) 2.224 6.474 ( -0.519 -0.300 0.050) 0.602 6.532 ( -8.748 -5.050 1.361) 10.192 6.762 ( 11.314 6.532 -1.447) 13.144 7.346 ( 1.434 0.828 0.909) 1.889 8.433 ( -0.545 -0.315 0.388) 0.739 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -4.767 -2.752 3.517) 6.532 2.235 ( -8.343 -4.817 7.036) 11.929 2.317 ( -2.944 -1.700 -2.673) 4.324 2.718 ( 0.133 0.077 1.873) 1.879 2.927 ( 3.432 1.981 -8.361) 9.252 3.746 ( -7.373 -4.257 0.153) 8.515 6.091 ( -5.473 -3.160 -0.215) 6.323 6.363 ( -6.189 -3.573 1.958) 7.410 6.455 ( -0.961 -0.555 0.157) 1.121 7.030 ( 12.251 7.073 -3.191) 14.502 7.402 ( 3.131 1.808 2.348) 4.311 8.415 ( -0.955 -0.551 1.624) 1.963 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -10.577 -6.107 6.156) 13.677 2.018 ( -12.883 -7.438 9.422) 17.609 2.252 ( -1.792 -1.035 -4.487) 4.941 2.683 ( -3.484 -2.011 2.330) 4.649 3.020 ( 5.111 2.951 -3.738) 6.986 3.510 ( -12.554 -7.248 -5.285) 15.430 5.936 ( -7.822 -4.516 -0.479) 9.045 6.275 ( -2.015 -1.164 1.741) 2.906 6.438 ( -0.479 -0.276 0.325) 0.641 7.263 ( 8.726 5.038 -7.065) 12.306 7.506 ( 5.607 3.237 4.529) 7.901 8.415 ( 0.516 0.298 3.670) 3.718 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -14.896 -8.600 7.014) 18.576 1.713 ( -16.573 -9.568 10.145) 21.659 2.208 ( -1.049 -0.606 -4.296) 4.463 2.576 ( -6.642 -3.835 -0.300) 7.675 2.956 ( -16.669 -9.624 5.151) 19.925 3.308 ( 2.794 1.613 -10.910) 11.377 5.749 ( -8.257 -4.767 -0.727) 9.562 6.282 ( 2.147 1.239 1.068) 2.699 6.439 ( 0.478 0.276 0.462) 0.720 7.355 ( 1.762 1.017 -7.430) 7.703 7.692 ( 9.198 5.310 3.389) 11.149 8.465 ( 2.645 1.527 4.874) 5.752 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -17.371 -10.029 7.896) 21.557 1.338 ( -19.083 -11.018 10.154) 24.262 2.176 ( -0.734 -0.424 -3.661) 3.758 2.273 ( -23.459 -13.544 -6.971) 27.971 2.554 ( -13.075 -7.549 4.876) 15.866 3.427 ( 6.887 3.976 -3.745) 8.790 5.572 ( -7.015 -4.050 -0.852) 8.145 6.362 ( 4.323 2.496 0.275) 4.999 6.462 ( 1.357 0.783 0.505) 1.646 7.331 ( -1.601 -0.924 -5.750) 6.040 7.915 ( 9.692 5.595 1.667) 11.314 8.546 ( 2.907 1.679 4.031) 5.246 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -18.383 -10.613 9.708) 23.341 0.923 ( -20.024 -11.561 10.467) 25.380 1.584 ( -33.189 -19.162 -5.598) 38.730 2.153 ( -0.425 -0.246 -3.040) 3.079 2.348 ( -7.810 -4.509 1.969) 9.231 3.559 ( 5.184 2.993 -1.462) 6.161 5.435 ( -4.811 -2.777 -0.769) 5.608 6.459 ( 3.808 2.199 -0.263) 4.405 6.498 ( 1.622 0.936 0.438) 1.923 7.265 ( -2.501 -1.444 -7.864) 8.377 8.133 ( 9.089 5.248 1.851) 10.657 8.601 ( 0.945 0.546 2.405) 2.641 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.000 23.303 8.051) 24.655 0.633 ( 0.000 18.242 17.451) 25.246 0.948 ( 0.000 28.644 24.777) 37.874 2.111 ( -0.000 -0.496 -4.138) 4.167 2.196 ( -0.000 6.081 -1.968) 6.392 3.669 ( 0.000 -9.030 1.316) 9.126 5.349 ( -0.000 2.504 -0.393) 2.535 6.518 ( -0.000 -1.826 -1.006) 2.085 6.534 ( 0.000 -1.134 0.283) 1.169 6.711 ( -0.000 37.965 -47.650) 60.925 8.367 ( 0.000 -7.946 3.666) 8.751 8.648 ( 0.000 -3.251 3.580) 4.836 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -1.777 17.686 16.853) 24.495 0.882 ( 4.591 24.288 1.955) 24.795 1.559 ( 23.718 25.190 15.997) 38.118 2.125 ( 3.421 -0.335 -3.854) 5.164 2.266 ( 1.030 7.785 -3.097) 8.442 3.569 ( -2.216 -5.574 -2.830) 6.633 5.410 ( 3.289 3.719 0.024) 4.965 6.477 ( -1.754 -3.619 -0.440) 4.046 6.510 ( -1.214 -1.135 0.148) 1.669 6.986 ( 10.975 14.214 -25.512) 31.198 8.240 ( -5.619 -9.543 4.663) 12.016 8.598 ( -3.540 -1.076 -0.362) 3.718 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 7.108 14.882 9.858) 19.214 1.206 ( 6.692 21.837 -2.125) 22.938 2.143 ( 9.596 4.504 -2.480) 10.887 2.273 ( 18.158 16.296 10.802) 26.682 2.360 ( 2.602 7.611 -5.605) 9.804 3.481 ( -1.269 -4.492 -1.614) 4.938 5.528 ( 5.385 5.170 0.450) 7.479 6.388 ( -3.568 -4.333 -0.609) 5.646 6.479 ( -1.590 -0.104 -0.155) 1.601 7.201 ( 9.563 5.796 -12.050) 16.439 8.037 ( -8.767 -9.206 4.327) 13.429 8.504 ( -5.012 -1.861 -3.401) 6.337 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 10.730 11.849 3.775) 16.425 1.515 ( 7.569 18.498 -4.869) 20.571 2.240 ( 3.455 2.312 -1.086) 4.297 2.463 ( 4.183 5.039 -5.798) 8.747 2.792 ( 16.075 14.102 4.593) 21.872 3.450 ( 2.096 -2.227 3.661) 4.770 5.692 ( 6.835 6.389 0.690) 9.382 6.285 ( -3.208 -3.414 -0.916) 4.774 6.459 ( -1.485 1.552 -0.392) 2.184 7.347 ( 6.259 1.379 -6.018) 8.792 7.793 ( -11.038 -8.601 3.495) 14.424 8.391 ( -3.933 -2.118 -4.444) 6.301 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 10.795 9.004 -0.307) 14.061 1.790 ( 7.344 14.937 -6.178) 17.755 2.315 ( 1.915 3.976 0.885) 4.501 2.562 ( 4.468 3.202 -4.705) 7.236 3.053 ( 3.940 3.520 0.697) 5.329 3.559 ( 7.755 2.923 7.058) 10.886 5.879 ( 7.001 6.860 0.799) 9.834 6.227 ( -0.190 -1.116 -1.251) 1.687 6.459 ( -1.133 3.216 -0.524) 3.449 7.392 ( 1.055 -2.121 -6.202) 6.639 7.523 ( -12.320 -7.259 4.211) 14.906 8.328 ( 0.151 -1.392 -3.015) 3.324 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 8.111 6.597 -2.159) 10.675 2.019 ( 6.784 11.342 -6.544) 14.747 2.386 ( 0.802 4.753 2.049) 5.238 2.643 ( 3.267 1.849 -3.013) 4.814 3.069 ( -2.005 -1.260 2.137) 3.190 3.736 ( 6.308 2.734 4.794) 8.381 6.054 ( 5.385 6.272 0.769) 8.302 6.259 ( 4.184 1.470 -1.510) 4.685 6.478 ( -0.827 4.224 -0.528) 4.336 7.207 ( -12.343 -6.951 -2.506) 14.386 7.384 ( -2.181 -1.909 0.341) 2.918 8.343 ( 3.169 -1.174 -1.031) 3.534 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 3.816 4.778 -2.507) 6.608 2.205 ( 6.252 7.662 -5.705) 11.416 2.440 ( -0.873 4.510 2.377) 5.172 2.682 ( 0.706 0.623 -1.682) 1.928 3.007 ( -3.434 -1.974 1.207) 4.141 3.841 ( 2.942 0.539 3.917) 4.928 6.177 ( 2.189 4.968 0.503) 5.452 6.376 ( 7.071 2.002 -1.303) 7.463 6.511 ( 0.142 5.127 -0.598) 5.164 6.929 ( -12.411 -5.188 -0.386) 13.457 7.341 ( -1.067 -0.802 -0.383) 1.388 8.385 ( 3.245 -1.862 -0.149) 3.744 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 0.389 2.792 -1.557) 3.221 2.331 ( 2.924 3.363 -2.679) 5.199 2.449 ( -3.458 3.348 1.884) 5.169 2.680 ( -0.408 0.880 -1.113) 1.477 2.935 ( -2.586 -1.501 -2.397) 3.832 3.874 ( -0.270 -1.035 4.044) 4.183 6.219 ( -1.949 2.877 0.159) 3.478 6.457 ( 1.466 -1.197 -0.089) 1.895 6.611 ( 2.187 3.171 -1.093) 4.004 6.720 ( -5.000 2.262 0.530) 5.513 7.335 ( 0.626 0.315 0.369) 0.792 8.406 ( 1.917 -2.820 0.140) 3.413 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -2.713 -0.429 0.866) 2.880 2.329 ( -4.312 -1.115 2.438) 5.077 2.400 ( -5.809 2.183 0.690) 6.244 2.707 ( 1.767 1.690 -0.216) 2.454 2.887 ( -0.089 0.422 -7.025) 7.038 3.825 ( -4.979 -2.683 2.888) 6.351 6.168 ( -5.548 -0.093 -0.049) 5.549 6.410 ( -3.786 -4.543 1.014) 6.000 6.530 ( -5.551 2.770 0.703) 6.244 6.900 ( 10.546 8.295 -2.333) 13.619 7.371 ( 2.572 0.824 1.448) 3.065 8.400 ( 1.001 -3.272 0.840) 3.523 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -7.438 -5.476 4.670) 10.350 2.198 ( -9.969 -2.619 5.206) 11.547 2.317 ( -5.971 2.815 -1.987) 6.894 2.713 ( -1.723 -2.161 2.273) 3.579 2.939 ( 5.949 4.539 -7.925) 10.899 3.653 ( -11.784 -5.061 -0.210) 12.826 6.038 ( -8.130 -2.231 -0.214) 8.433 6.304 ( -3.405 -3.108 1.511) 4.852 6.492 ( -3.654 3.551 0.471) 5.117 7.146 ( 9.833 7.123 -5.259) 13.232 7.447 ( 4.833 0.825 3.084) 5.792 8.395 ( 1.654 -2.562 2.318) 3.830 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -12.754 -9.803 7.042) 17.560 1.978 ( -14.916 -2.359 6.181) 16.317 2.251 ( -4.365 3.047 -3.620) 6.438 2.636 ( -4.509 -3.511 0.660) 5.752 3.080 ( 3.815 3.972 1.305) 5.660 3.332 ( -15.498 -6.793 -7.151) 18.371 5.860 ( -9.409 -2.976 -0.394) 9.876 6.263 ( 0.514 -0.849 1.131) 1.505 6.472 ( -2.469 2.910 0.429) 3.841 7.304 ( 4.199 3.776 -7.714) 9.560 7.584 ( 8.802 1.863 3.984) 9.840 8.429 ( 3.464 -1.006 3.494) 5.022 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -16.174 -12.138 7.909) 21.714 1.686 ( -19.455 -1.421 5.768) 20.342 2.204 ( -3.052 2.324 -3.548) 5.225 2.477 ( -11.344 -4.718 -1.615) 12.392 2.807 ( -24.092 -7.005 2.465) 25.211 3.313 ( 8.774 2.948 -4.836) 10.443 5.673 ( -8.947 -2.522 -0.482) 9.308 6.306 ( 3.988 0.630 0.433) 4.060 6.470 ( -0.749 1.900 0.368) 2.075 7.331 ( -0.517 1.151 -6.586) 6.706 7.786 ( 10.796 2.498 2.432) 11.345 8.503 ( 4.351 -0.152 2.891) 5.226 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -17.665 -11.938 8.821) 23.073 1.326 ( -22.801 -1.897 3.458) 23.140 2.037 ( -32.592 -4.916 0.215) 32.961 2.171 ( -2.043 1.701 -2.962) 3.980 2.466 ( -10.789 -3.786 0.479) 11.444 3.470 ( 7.390 2.120 -1.810) 7.898 5.515 ( -7.172 -1.192 -0.369) 7.280 6.395 ( 5.165 0.816 -0.137) 5.231 6.485 ( 0.822 0.758 0.256) 1.147 7.288 ( -3.166 0.842 -7.272) 7.975 8.000 ( 11.051 1.734 2.221) 11.405 8.572 ( 3.214 -0.685 1.013) 3.439 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.000 22.851 6.345) 23.715 1.088 ( 0.000 18.634 13.492) 23.006 1.669 ( 0.000 32.101 14.930) 35.403 2.073 ( -0.000 -0.358 -5.935) 5.945 2.336 ( -0.000 9.317 -3.297) 9.883 3.512 ( -0.000 -7.063 -3.948) 8.091 5.424 ( -0.000 5.454 -0.425) 5.470 6.452 ( -0.000 -4.180 -0.463) 4.205 6.505 ( 0.000 -1.813 0.309) 1.839 6.970 ( -0.000 14.108 -21.180) 25.448 8.195 ( 0.000 -11.333 4.096) 12.050 8.620 ( -0.000 -1.494 -0.654) 1.631 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -3.864 19.188 14.703) 24.480 1.351 ( 2.378 22.136 0.546) 22.270 2.059 ( 4.764 6.772 -4.899) 9.621 2.187 ( 14.114 19.024 10.707) 25.995 2.420 ( 0.217 10.734 -5.665) 12.139 3.428 ( -0.114 -6.724 -2.936) 7.338 5.512 ( 3.248 6.762 0.002) 7.502 6.390 ( -2.045 -4.625 -0.410) 5.073 6.489 ( -0.096 -1.074 0.105) 1.083 7.088 ( 6.160 7.650 -13.486) 16.683 8.058 ( -4.102 -11.270 3.768) 12.571 8.562 ( -4.160 -1.887 -2.184) 5.063 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -0.090 17.720 11.538) 21.145 1.599 ( 3.549 19.259 -3.307) 19.861 2.167 ( 6.538 3.020 -5.065) 8.805 2.462 ( 1.458 5.768 -2.347) 6.395 2.712 ( 13.426 20.028 2.464) 24.237 3.383 ( 2.426 -4.613 1.656) 5.469 5.660 ( 5.388 7.976 0.659) 9.648 6.300 ( -3.009 -3.891 -0.663) 4.963 6.487 ( -0.010 1.022 -0.369) 1.086 7.221 ( 7.161 1.867 -8.033) 10.922 7.868 ( -7.047 -10.190 3.556) 12.890 8.443 ( -5.855 -2.196 -3.463) 7.148 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 3.114 14.160 6.196) 15.767 1.831 ( 4.499 16.296 -4.285) 17.441 2.302 ( 5.365 5.103 -1.946) 7.656 2.527 ( 2.112 4.219 -3.841) 6.084 3.017 ( 5.689 6.602 -1.219) 8.800 3.469 ( 7.811 2.379 6.242) 10.277 5.846 ( 6.275 8.695 1.225) 10.792 6.225 ( -1.692 -1.833 -1.048) 2.706 6.506 ( -0.170 3.503 -0.911) 3.623 7.301 ( 4.576 -2.370 -6.209) 8.069 7.647 ( -9.369 -8.222 3.725) 13.010 8.326 ( -3.528 -2.154 -3.178) 5.214 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 4.722 10.817 2.556) 12.077 2.036 ( 3.991 13.179 -4.540) 14.499 2.424 ( 2.451 6.563 0.431) 7.019 2.597 ( 3.229 2.676 -2.706) 4.991 3.080 ( 0.366 -0.585 0.304) 0.754 3.660 ( 7.345 3.609 3.965) 9.094 6.036 ( 5.501 8.153 1.660) 9.975 6.215 ( 1.760 0.967 -1.489) 2.500 6.539 ( -0.693 5.126 -1.306) 5.335 7.272 ( -2.744 -5.084 -6.401) 8.623 7.439 ( -7.427 -4.382 4.061) 9.532 8.278 ( 1.160 -2.476 -1.495) 3.116 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 3.533 8.328 0.587) 9.065 2.195 ( 3.384 9.635 -4.447) 11.138 2.512 ( -0.076 6.200 1.921) 6.491 2.662 ( 2.314 1.678 -1.650) 3.300 3.051 ( -2.732 -0.864 0.552) 2.918 3.788 ( 4.667 0.286 2.575) 5.338 6.187 ( 3.516 6.110 1.523) 7.212 6.294 ( 4.995 3.357 -1.445) 6.189 6.569 ( -1.085 4.908 -1.471) 5.238 7.084 ( -10.552 -3.485 -2.087) 11.307 7.353 ( -1.681 -1.397 0.615) 2.271 8.293 ( 3.813 -3.558 -0.300) 5.224 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 0.244 6.098 -0.525) 6.125 2.315 ( 2.890 5.910 -3.279) 7.350 2.546 ( -2.403 3.476 2.434) 4.877 2.696 ( 0.269 1.812 -0.934) 2.057 2.983 ( -4.671 0.731 -1.991) 5.129 3.850 ( 2.782 -1.859 3.344) 4.730 6.279 ( 0.098 4.482 0.756) 4.546 6.403 ( 4.109 1.430 -0.657) 4.400 6.601 ( 1.247 3.176 -1.456) 3.710 6.889 ( -10.216 2.634 0.152) 10.551 7.334 ( -0.163 0.106 0.054) 0.202 8.318 ( 3.778 -4.775 0.022) 6.089 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -3.166 2.811 -0.165) 4.237 2.374 ( -0.342 2.133 -0.732) 2.281 2.518 ( -4.279 1.771 1.870) 4.994 2.710 ( -0.036 1.494 -0.045) 1.495 2.910 ( -4.067 2.719 -5.416) 7.299 3.861 ( -0.616 -2.580 3.644) 4.507 6.266 ( -4.878 1.206 0.214) 5.029 6.423 ( -1.355 -2.225 0.229) 2.615 6.636 ( -1.429 1.892 -0.046) 2.371 6.865 ( 1.328 10.197 -0.859) 10.319 7.346 ( 1.206 0.356 0.579) 1.384 8.325 ( 2.912 -5.361 0.297) 6.108 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -6.562 -1.962 1.897) 7.107 2.331 ( -6.059 -0.044 1.551) 6.255 2.456 ( -5.990 3.071 0.424) 6.744 2.713 ( -0.269 -2.270 1.741) 2.873 2.897 ( 0.991 5.577 -7.553) 9.441 3.782 ( -7.022 -3.169 2.240) 8.023 6.158 ( -7.535 -1.022 0.230) 7.607 6.342 ( -4.168 -2.879 0.652) 5.108 6.614 ( -4.669 4.712 0.563) 6.657 7.051 ( 8.191 8.698 -3.335) 12.404 7.386 ( 3.174 -0.512 1.712) 3.643 8.324 ( 2.942 -4.661 1.024) 5.606 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -10.919 -5.591 4.285) 12.994 2.186 ( -10.699 -0.954 1.475) 10.842 2.382 ( -6.776 4.053 -0.978) 7.956 2.663 ( -2.456 -3.449 0.859) 4.320 3.005 ( 6.768 5.151 -4.166) 9.471 3.560 ( -15.630 -3.892 0.291) 16.109 6.001 ( -9.480 -1.467 0.239) 9.596 6.264 ( -1.982 -1.655 0.524) 2.635 6.574 ( -5.017 3.723 0.303) 6.255 7.244 ( 6.292 6.486 -6.216) 10.968 7.463 ( 6.728 -1.348 3.670) 7.782 8.350 ( 4.219 -2.885 1.573) 5.348 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -15.699 -6.380 5.075) 17.690 1.964 ( -14.478 -1.544 0.467) 14.568 2.303 ( -6.019 3.085 -1.919) 7.031 2.573 ( -5.061 -2.434 0.251) 5.622 3.169 ( -0.816 -1.894 -9.096) 9.327 3.194 ( -14.091 2.033 7.670) 16.171 5.820 ( -10.202 -0.990 0.238) 10.253 6.254 ( 1.908 -0.448 0.050) 1.961 6.526 ( -3.562 1.607 0.031) 3.908 7.333 ( 1.004 3.378 -5.310) 6.373 7.619 ( 10.891 -0.435 2.810) 11.256 8.416 ( 5.304 -1.581 0.718) 5.581 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -18.497 -3.790 4.667) 19.450 1.657 ( -19.251 -3.020 -2.329) 19.625 2.232 ( -4.218 1.494 -2.038) 4.917 2.437 ( -11.634 1.213 2.510) 11.963 2.724 ( -25.111 -1.338 -1.687) 25.203 3.355 ( 7.920 2.281 1.133) 8.319 5.650 ( -9.165 0.288 0.324) 9.175 6.310 ( 4.717 -0.234 -0.372) 4.737 6.491 ( -1.204 -0.216 -0.117) 1.229 7.337 ( -2.118 2.727 -4.052) 5.323 7.815 ( 11.838 -0.929 1.950) 12.033 8.488 ( 4.915 -1.713 -1.404) 5.391 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 0.000 17.514 9.838) 20.088 1.541 ( 0.000 20.956 3.938) 21.323 2.030 ( -0.000 -0.148 -6.692) 6.693 2.326 ( 0.000 23.435 11.030) 25.901 2.515 ( -0.000 14.646 -8.223) 16.797 3.350 ( -0.000 -7.217 -1.461) 7.364 5.557 ( -0.000 8.263 -0.141) 8.264 6.364 ( 0.000 -4.136 -0.036) 4.137 6.472 ( 0.000 -1.643 0.144) 1.649 7.070 ( -0.000 5.942 -10.949) 12.457 7.987 ( 0.000 -11.826 2.882) 12.172 8.573 ( -0.000 -2.267 -2.207) 3.164 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -3.169 17.492 11.149) 20.984 1.735 ( 0.471 16.871 -1.454) 16.940 2.068 ( 6.080 2.540 -6.048) 8.944 2.496 ( 0.678 5.935 -1.650) 6.197 2.755 ( 6.388 22.359 -1.777) 23.322 3.305 ( 1.933 -3.978 3.536) 5.663 5.672 ( 3.235 9.281 0.345) 9.834 6.308 ( -2.170 -3.138 -0.175) 3.819 6.473 ( 1.545 -0.392 -0.163) 1.602 7.118 ( 3.921 1.691 -7.605) 8.722 7.855 ( -2.961 -11.112 2.359) 11.739 8.505 ( -4.323 -2.236 -2.737) 5.584 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -2.216 12.684 4.749) 13.724 1.921 ( 2.536 15.605 0.507) 15.818 2.228 ( 8.214 6.101 -3.468) 10.804 2.537 ( 0.606 3.894 -4.757) 6.177 2.987 ( 4.153 5.258 -2.748) 7.242 3.405 ( 6.279 6.898 7.196) 11.781 5.842 ( 5.272 9.848 1.140) 11.229 6.242 ( -2.435 -1.309 -0.685) 2.848 6.513 ( 2.248 2.005 -0.918) 3.149 7.174 ( 4.956 -2.581 -5.387) 7.761 7.691 ( -5.083 -9.391 2.302) 10.923 8.384 ( -5.998 -1.846 -2.834) 6.886 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 1.505 10.527 2.981) 11.044 2.104 ( 2.194 12.839 -0.702) 13.044 2.414 ( 6.314 7.043 -0.848) 9.497 2.581 ( 1.739 3.561 -3.110) 5.038 3.038 ( 2.761 -2.453 -0.421) 3.717 3.609 ( 5.393 7.556 3.422) 9.894 6.035 ( 5.378 9.248 1.979) 10.880 6.211 ( -0.464 1.241 -1.305) 1.860 6.574 ( 1.602 3.888 -1.839) 4.589 7.195 ( 3.325 -4.544 -4.578) 7.257 7.521 ( -6.331 -6.628 2.544) 9.512 8.271 ( -3.795 -1.891 -1.933) 4.659 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 2.647 9.534 2.713) 10.260 2.239 ( 1.617 9.210 -2.280) 9.625 2.553 ( 2.629 4.953 0.708) 5.652 2.644 ( 1.853 3.576 -0.567) 4.067 3.060 ( 1.905 -0.600 0.170) 2.005 3.729 ( 2.890 1.853 0.666) 3.498 6.191 ( 3.141 5.554 2.019) 6.693 6.262 ( 3.506 5.158 -1.256) 6.362 6.617 ( -0.209 3.090 -2.433) 3.938 7.166 ( -1.964 -1.826 -3.339) 4.282 7.383 ( -4.114 -3.219 2.079) 5.623 8.214 ( 0.341 -3.293 -0.698) 3.384 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 0.658 8.227 1.662) 8.419 2.332 ( 1.363 6.276 -2.197) 6.787 2.601 ( -0.715 1.370 1.202) 1.958 2.693 ( 1.176 0.740 0.707) 1.559 3.084 ( -2.557 5.989 -1.620) 6.710 3.772 ( 3.440 -3.168 1.045) 4.792 6.292 ( 3.205 4.184 0.668) 5.313 6.371 ( 2.728 4.185 -0.042) 4.996 6.611 ( -0.926 -0.194 -2.136) 2.336 7.086 ( -7.485 4.840 -0.656) 8.938 7.338 ( -0.277 -0.466 0.356) 0.648 8.203 ( 3.126 -5.327 -0.099) 6.177 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -3.438 5.636 0.615) 6.631 2.394 ( 0.645 3.603 -1.162) 3.841 2.580 ( -2.100 -0.302 1.381) 2.532 2.703 ( 0.812 -2.135 0.372) 2.315 3.065 ( -7.703 9.327 -3.594) 12.619 3.806 ( 4.167 -4.414 2.484) 6.559 6.347 ( -2.367 2.159 0.357) 3.223 6.416 ( 0.440 0.103 -0.176) 0.485 6.612 ( 3.052 -0.196 -0.868) 3.179 7.035 ( -6.683 10.364 0.176) 12.333 7.340 ( 0.117 0.216 -0.091) 0.262 8.207 ( 3.941 -6.286 0.060) 7.420 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -7.333 1.037 0.878) 7.458 2.407 ( -2.127 1.335 -0.120) 2.514 2.552 ( -2.315 1.662 0.524) 2.897 2.688 ( 0.527 -3.358 0.785) 3.489 3.001 ( -7.377 7.736 -3.997) 11.412 3.819 ( 0.144 -3.234 2.071) 3.843 6.268 ( -6.433 -0.752 0.421) 6.490 6.387 ( -3.162 -1.246 -0.001) 3.398 6.680 ( 2.251 2.025 -0.347) 3.048 7.070 ( -1.026 10.606 -0.921) 10.695 7.343 ( 1.087 -1.388 0.475) 1.826 8.217 ( 4.018 -5.194 0.274) 6.573 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -9.707 -1.919 1.748) 10.048 2.335 ( -7.081 -0.209 -0.325) 7.091 2.519 ( -4.880 2.931 -0.168) 5.695 2.659 ( -0.616 -3.196 1.053) 3.421 2.981 ( -0.295 4.780 -2.455) 5.382 3.737 ( -7.671 -2.020 0.836) 7.977 6.141 ( -7.877 -0.750 0.733) 7.947 6.305 ( -4.336 -1.053 -0.216) 4.467 6.687 ( -3.710 1.997 -0.417) 4.234 7.194 ( 5.215 7.371 -3.297) 9.612 7.361 ( 3.479 -3.173 2.209) 5.201 8.249 ( 4.435 -2.760 0.266) 5.230 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -12.883 -2.063 1.859) 13.179 2.167 ( -11.407 -1.010 -1.766) 11.587 2.434 ( -6.914 0.783 -0.400) 6.970 2.617 ( -2.224 -0.649 -0.125) 2.320 3.062 ( 5.514 1.644 -0.803) 5.809 3.527 ( -15.787 0.320 1.769) 15.889 5.989 ( -9.770 -0.009 0.905) 9.812 6.244 ( -1.511 -0.330 -0.693) 1.695 6.611 ( -5.327 -0.259 -0.645) 5.372 7.328 ( 3.028 5.215 -4.541) 7.549 7.433 ( 9.212 -4.025 3.671) 10.702 8.312 ( 4.944 -0.947 -0.767) 5.092 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -16.143 0.815 0.847) 16.186 1.916 ( -15.707 -2.007 -4.520) 16.467 2.321 ( -5.780 -0.642 -0.036) 5.816 2.566 ( -4.275 1.668 -0.848) 4.666 3.073 ( -10.016 -1.451 -5.254) 11.403 3.334 ( -5.229 5.177 8.828) 11.493 5.826 ( -10.143 1.201 0.869) 10.251 6.245 ( 2.033 -0.197 -0.978) 2.264 6.520 ( -3.458 -1.928 -0.598) 4.004 7.377 ( -0.006 2.900 -1.253) 3.159 7.596 ( 12.133 -3.147 1.113) 12.584 8.382 ( 4.713 -0.878 -2.832) 5.568 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 0.000 14.861 4.182) 15.438 1.925 ( -0.000 16.451 0.161) 16.452 1.995 ( -0.000 0.441 -4.044) 4.068 2.528 ( -0.000 3.488 -6.221) 7.133 2.890 ( -0.000 14.072 -2.197) 14.243 3.299 ( 0.000 4.939 8.430) 9.770 5.738 ( 0.000 9.957 0.237) 9.960 6.306 ( -0.000 -1.511 -0.034) 1.512 6.447 ( -0.000 -0.788 -0.098) 0.794 7.075 ( -0.000 -0.293 -5.843) 5.850 7.775 ( 0.000 -10.815 1.295) 10.892 8.514 ( -0.000 -2.131 -2.546) 3.320 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -2.218 5.657 -5.143) 7.961 2.054 ( 0.686 13.409 6.794) 15.048 2.148 ( 7.504 8.716 -3.821) 12.119 2.536 ( 0.793 1.826 -7.700) 7.953 2.963 ( 1.080 -0.094 0.828) 1.364 3.459 ( 2.712 15.009 7.726) 17.097 5.868 ( 3.408 10.082 0.659) 10.663 6.276 ( -2.292 0.250 -0.536) 2.367 6.473 ( 3.155 0.553 -0.509) 3.243 7.067 ( 2.502 -3.285 -3.919) 5.693 7.660 ( -1.981 -9.525 0.723) 9.755 8.451 ( -4.148 -1.556 -2.390) 5.034 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 1.943 6.257 -1.838) 6.804 2.192 ( 1.214 9.024 1.321) 9.201 2.365 ( 8.048 9.145 -0.746) 12.205 2.562 ( 2.585 2.334 -5.482) 6.494 2.961 ( 1.484 -4.666 2.766) 5.623 3.659 ( 1.728 12.550 3.619) 13.175 6.043 ( 5.118 9.460 1.435) 10.851 6.246 ( -2.007 2.243 -1.165) 3.228 6.548 ( 4.029 2.134 -1.551) 4.816 7.069 ( 3.987 -5.289 -2.427) 7.054 7.534 ( -3.155 -7.461 0.595) 8.122 8.343 ( -6.023 -0.880 -1.844) 6.360 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 4.202 7.348 0.895) 8.512 2.288 ( 1.690 5.960 -1.219) 6.314 2.543 ( 3.383 4.676 1.315) 5.919 2.649 ( 3.744 5.530 -2.160) 7.018 2.969 ( 5.181 -4.161 2.132) 6.979 3.759 ( -1.607 6.216 0.161) 6.423 6.205 ( 2.870 6.170 2.004) 7.094 6.266 ( 1.572 5.419 -1.420) 5.819 6.617 ( 1.906 1.375 -2.582) 3.491 7.097 ( 5.334 -3.162 -1.418) 6.361 7.418 ( -3.460 -4.731 0.752) 5.909 8.232 ( -5.094 -1.190 -0.993) 5.324 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 3.259 7.205 1.483) 8.045 2.365 ( 1.489 4.997 -1.005) 5.310 2.607 ( 1.355 1.075 0.423) 1.780 2.696 ( -1.362 -0.385 1.384) 1.979 3.103 ( 8.302 5.237 0.311) 9.821 3.737 ( -3.265 -0.732 -1.195) 3.553 6.287 ( 2.127 4.610 0.149) 5.079 6.372 ( 2.878 4.812 0.602) 5.639 6.611 ( -1.136 -1.971 -2.393) 3.302 7.175 ( 3.095 3.330 -1.085) 4.674 7.340 ( -1.654 -1.936 0.918) 2.707 8.146 ( -2.276 -3.151 -0.328) 3.901 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( -0.098 5.546 0.616) 5.581 2.426 ( -0.009 4.743 0.050) 4.744 2.608 ( -1.990 -0.797 0.568) 2.218 2.655 ( 0.777 -4.363 0.528) 4.463 3.267 ( -1.616 12.204 -1.262) 12.375 3.674 ( 2.700 -7.172 0.288) 7.669 6.373 ( 2.278 3.966 -0.123) 4.576 6.433 ( -0.530 1.956 0.575) 2.107 6.557 ( 0.418 -3.394 -1.237) 3.636 7.222 ( -3.432 7.428 0.003) 8.183 7.336 ( 0.930 0.048 -0.061) 0.934 8.096 ( 1.373 -5.016 -0.047) 5.200 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -6.618 2.087 0.560) 6.962 2.444 ( -1.342 1.647 -0.021) 2.124 2.584 ( 0.182 0.852 0.442) 0.977 2.637 ( 1.114 -3.662 0.154) 3.831 3.236 ( -11.339 7.528 -1.512) 13.694 3.721 ( 7.398 -4.367 0.810) 8.629 6.368 ( -5.800 0.050 0.327) 5.809 6.417 ( -0.897 0.296 -0.163) 0.958 6.605 ( 6.134 -0.093 -0.607) 6.165 7.231 ( -4.468 8.167 0.369) 9.317 7.325 ( -1.040 -2.215 -0.383) 2.477 8.100 ( 4.112 -3.609 0.018) 5.472 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -9.351 -0.596 0.727) 9.399 2.416 ( -3.144 -0.256 -0.990) 3.306 2.594 ( -1.807 0.817 0.100) 1.985 2.632 ( 1.330 -0.915 1.235) 2.032 3.095 ( -8.717 1.862 0.079) 8.914 3.776 ( 1.147 -1.025 -0.513) 1.621 6.259 ( -6.698 -0.126 0.589) 6.725 6.375 ( -3.951 -0.034 -0.270) 3.960 6.696 ( 3.444 -0.022 -1.218) 3.653 7.213 ( -2.374 0.932 -0.575) 2.615 7.303 ( 1.134 -0.654 0.648) 1.461 8.157 ( 4.524 -0.191 -0.157) 4.531 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -10.423 -0.120 0.177) 10.425 2.315 ( -7.612 -0.982 -2.455) 8.058 2.531 ( -4.927 -2.365 0.946) 5.547 2.647 ( -0.892 1.999 -0.194) 2.198 3.025 ( -0.237 -0.397 2.295) 2.341 3.725 ( -6.690 0.873 -0.395) 6.758 6.143 ( -7.727 0.499 1.021) 7.810 6.298 ( -4.617 0.682 -0.998) 4.773 6.676 ( -3.672 -2.338 -1.514) 4.609 7.231 ( 7.389 -4.573 0.052) 8.690 7.335 ( 1.583 1.601 0.086) 2.253 8.238 ( 3.903 1.991 -0.907) 4.474 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -12.369 2.521 -1.412) 12.702 2.125 ( -12.248 -1.174 -4.911) 13.248 2.407 ( -6.087 -2.939 1.459) 6.915 2.638 ( -2.469 2.506 -1.869) 3.984 3.061 ( 3.070 -1.583 1.991) 3.987 3.590 ( -11.306 3.948 3.357) 12.437 6.009 ( -9.353 1.309 1.139) 9.513 6.244 ( -2.063 1.149 -1.566) 2.833 6.561 ( -4.745 -3.713 -1.061) 6.118 7.346 ( 10.504 -6.885 4.072) 13.203 7.386 ( 3.107 2.737 -3.976) 5.740 8.314 ( 2.942 2.063 -2.345) 4.290 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -0.000 1.096 -6.593) 6.683 2.150 ( -0.000 7.328 -7.397) 10.412 2.182 ( 0.000 11.036 5.357) 12.267 2.519 ( -0.000 1.593 -5.990) 6.198 2.950 ( 0.000 -2.950 4.794) 5.629 3.624 ( 0.000 17.281 6.319) 18.400 5.934 ( 0.000 9.437 0.416) 9.446 6.311 ( -0.000 2.339 -1.039) 2.560 6.442 ( -0.000 0.316 -0.231) 0.392 6.999 ( -0.000 -4.702 -2.168) 5.178 7.587 ( -0.000 -8.591 -0.293) 8.596 8.467 ( -0.000 -1.173 -2.015) 2.332 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 2.311 2.475 -3.957) 5.208 2.200 ( 3.311 1.623 -7.938) 8.752 2.338 ( 5.341 9.649 2.109) 11.228 2.539 ( 0.887 2.956 -2.175) 3.776 2.926 ( -0.563 -4.200 5.443) 6.898 3.796 ( -0.416 13.959 3.693) 14.446 6.056 ( 3.763 8.356 0.662) 9.189 6.311 ( -2.475 3.728 -1.510) 4.723 6.488 ( 4.061 1.325 -0.788) 4.343 6.958 ( 1.912 -6.089 -0.606) 6.411 7.498 ( -1.204 -6.892 -0.707) 7.032 8.419 ( -3.840 -0.508 -1.513) 4.158 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 5.784 4.689 -0.337) 7.453 2.256 ( 4.830 0.193 -5.414) 7.258 2.545 ( 5.544 7.161 2.037) 9.283 2.592 ( 4.703 3.317 -2.596) 6.314 2.886 ( -0.177 -5.019 4.960) 7.059 3.883 ( -3.404 8.547 0.790) 9.234 6.210 ( 4.595 6.411 1.217) 7.981 6.312 ( -1.387 5.056 -1.621) 5.488 6.571 ( 3.808 1.063 -1.801) 4.344 6.955 ( 5.261 -5.519 0.444) 7.638 7.414 ( -1.685 -4.601 -0.607) 4.937 8.327 ( -6.122 -0.028 -0.888) 6.186 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 5.782 5.146 1.040) 7.810 2.337 ( 5.359 0.984 -2.497) 5.994 2.602 ( 0.403 1.328 0.835) 1.619 2.728 ( -0.408 1.711 -0.376) 1.799 2.934 ( 12.119 -0.506 2.731) 12.433 3.849 ( -7.245 3.332 -1.073) 8.046 6.310 ( 1.139 4.594 0.133) 4.735 6.370 ( 2.294 4.134 0.072) 4.728 6.597 ( -0.005 -1.430 -1.777) 2.281 7.055 ( 10.122 -1.276 0.261) 10.205 7.353 ( -1.473 -1.961 -0.128) 2.456 8.212 ( -6.729 -0.459 -0.373) 6.755 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 3.425 2.572 0.125) 4.285 2.440 ( 4.657 3.047 -0.277) 5.573 2.612 ( 0.142 -1.088 0.347) 1.151 2.658 ( -4.998 -2.196 0.426) 5.476 3.215 ( 15.656 3.723 0.926) 16.119 3.708 ( -10.208 -0.668 -1.125) 10.291 6.377 ( 1.781 4.247 -0.345) 4.619 6.432 ( 2.419 0.437 0.738) 2.567 6.547 ( -2.848 -2.176 -0.865) 3.687 7.231 ( 8.659 1.862 -0.454) 8.868 7.325 ( -0.766 -0.180 0.463) 0.912 8.097 ( -5.195 -1.394 -0.100) 5.380 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 0.259 0.116 0.000) 0.284 2.521 ( -5.815 -2.951 0.009) 6.521 2.539 ( 3.729 2.040 -0.011) 4.251 2.616 ( -0.217 -0.128 0.002) 0.252 3.498 ( -12.130 4.836 0.047) 13.058 3.500 ( 13.191 -4.355 -0.047) 13.892 6.423 ( 0.589 0.371 0.082) 0.701 6.464 ( -4.469 -1.550 -0.185) 4.734 6.500 ( 4.751 1.555 0.103) 5.000 7.306 ( -0.823 -0.191 -0.004) 0.845 7.337 ( 0.826 0.209 0.004) 0.852 8.039 ( 0.070 0.031 -0.000) 0.077 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -6.711 -2.739 0.040) 7.248 2.441 ( -1.307 -1.392 -0.445) 1.961 2.584 ( 0.617 -1.548 0.416) 1.717 2.638 ( 1.057 3.558 0.216) 3.718 3.262 ( -10.871 -5.342 1.356) 12.188 3.701 ( 6.963 3.032 -1.340) 7.712 6.369 ( -5.679 -0.228 0.305) 5.692 6.419 ( -1.079 -0.195 0.050) 1.097 6.603 ( 5.731 0.539 -0.719) 5.801 7.225 ( -4.025 -7.938 -0.207) 8.903 7.331 ( -1.378 2.018 0.304) 2.463 8.099 ( 3.992 3.562 -0.093) 5.351 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -7.889 -1.400 -0.216) 8.016 2.391 ( -3.556 -1.094 -1.820) 4.142 2.560 ( -1.474 -2.623 1.343) 3.295 2.682 ( -0.188 2.841 0.043) 2.848 3.065 ( -5.870 -5.067 2.858) 8.264 3.783 ( 0.440 2.155 -1.722) 2.793 6.270 ( -6.330 0.562 0.620) 6.385 6.382 ( -3.659 1.093 -0.524) 3.855 6.668 ( 1.529 -1.764 -1.614) 2.838 7.086 ( 0.567 -10.171 0.666) 10.209 7.336 ( 0.165 1.114 -0.256) 1.155 8.210 ( 3.563 5.142 -0.395) 6.268 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -8.568 1.424 -1.687) 8.848 2.275 ( -8.170 -0.666 -4.307) 9.260 2.475 ( -5.080 -3.709 2.017) 6.605 2.687 ( -1.303 1.836 -1.345) 2.623 3.007 ( 1.577 -2.830 4.530) 5.569 3.762 ( -4.784 2.584 0.185) 5.441 6.165 ( -7.312 0.736 0.940) 7.409 6.322 ( -4.793 2.655 -1.499) 5.681 6.596 ( -4.403 -4.343 -1.388) 6.338 7.094 ( 9.840 -8.633 1.123) 13.138 7.358 ( 1.715 0.455 -1.140) 2.109 8.305 ( 1.875 4.754 -1.007) 5.208 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -0.000 1.018 -3.624) 3.764 2.132 ( -0.000 -1.200 -9.934) 10.006 2.383 ( 0.000 6.953 2.467) 7.378 2.568 ( 0.000 3.829 0.239) 3.837 2.910 ( 0.000 -3.898 5.054) 6.383 3.939 ( 0.000 11.551 2.570) 11.834 6.095 ( 0.000 6.396 0.281) 6.402 6.380 ( -0.000 5.513 -2.260) 5.958 6.455 ( -0.000 1.101 -0.157) 1.112 6.880 ( 0.000 -6.763 0.792) 6.810 7.443 ( -0.000 -5.410 -1.195) 5.540 8.445 ( -0.000 -0.243 -1.087) 1.114 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 5.792 2.416 -0.673) 6.312 2.133 ( 4.397 -1.691 -6.661) 8.158 2.490 ( 5.410 4.763 0.907) 7.265 2.602 ( -0.096 2.663 0.639) 2.740 2.876 ( -1.182 -3.614 3.869) 5.425 4.018 ( -2.476 7.196 0.592) 7.633 6.187 ( 4.209 4.451 0.328) 6.135 6.393 ( -2.647 5.002 -1.563) 5.871 6.515 ( 3.745 2.011 -0.946) 4.355 6.834 ( 2.280 -6.606 1.373) 7.122 7.390 ( -0.662 -3.359 -1.028) 3.574 8.410 ( -3.576 0.107 -0.611) 3.629 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 7.631 4.687 2.557) 9.313 2.198 ( 7.388 -2.271 -4.224) 8.808 2.617 ( -0.196 0.854 0.112) 0.883 2.666 ( 10.162 3.327 -0.610) 10.710 2.825 ( -1.328 -3.648 3.283) 5.085 3.995 ( -5.858 2.933 -0.933) 6.617 6.300 ( 4.303 2.203 0.222) 4.839 6.399 ( -1.206 3.515 -0.620) 3.768 6.576 ( 1.529 0.617 -0.693) 1.788 6.868 ( 8.178 -3.389 0.747) 8.884 7.353 ( -0.764 -1.191 -0.473) 1.492 8.326 ( -6.238 0.198 -0.225) 6.245 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 5.662 -1.120 -1.032) 5.863 2.347 ( 7.252 1.927 1.024) 7.573 2.611 ( -0.452 -0.532 -0.232) 0.736 2.728 ( -4.150 -0.237 -0.586) 4.198 2.944 ( 16.345 -0.916 1.696) 16.458 3.881 ( -8.917 0.516 -0.912) 8.978 6.368 ( 2.893 -0.243 -0.450) 2.938 6.405 ( -0.197 0.041 0.264) 0.332 6.581 ( -1.240 1.058 0.469) 1.696 7.040 ( 12.723 -0.197 -0.071) 12.725 7.337 ( -0.709 0.101 0.043) 0.718 8.208 ( -7.505 0.128 -0.014) 7.507 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 3.970 -3.381 -0.448) 5.234 2.442 ( 3.466 -2.377 0.048) 4.203 2.602 ( 0.204 0.844 -0.699) 1.115 2.648 ( -4.599 0.820 -0.589) 4.708 3.209 ( 15.392 -4.432 0.284) 16.020 3.723 ( -9.761 2.130 0.579) 10.007 6.381 ( 2.146 -4.724 -0.108) 5.190 6.418 ( 1.691 -0.447 -0.582) 1.843 6.571 ( -2.771 3.815 1.592) 4.977 7.237 ( 9.445 -1.112 0.087) 9.511 7.319 ( -1.518 -0.579 -0.106) 1.628 8.099 ( -5.245 1.589 0.098) 5.482 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 0.166 -6.808 -0.642) 6.840 2.431 ( -0.007 -2.965 0.533) 3.013 2.596 ( -2.311 0.393 -0.816) 2.482 2.645 ( 1.859 3.284 -0.526) 3.810 3.277 ( 0.567 -11.449 -0.188) 11.464 3.680 ( 0.161 6.901 0.868) 6.958 6.374 ( 2.259 -4.534 -0.146) 5.068 6.422 ( 0.258 -1.502 -0.456) 1.591 6.583 ( -0.976 4.351 1.487) 4.700 7.223 ( -4.385 -7.258 0.107) 8.481 7.335 ( 1.883 -0.226 -0.161) 1.904 8.097 ( 1.219 5.088 0.104) 5.233 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -3.029 -5.290 -0.104) 6.096 2.408 ( -0.427 -1.933 0.318) 2.005 2.561 ( -1.331 -1.147 -0.425) 1.808 2.700 ( 1.071 2.015 -0.058) 2.282 3.107 ( -5.793 -9.013 0.913) 10.753 3.775 ( 2.686 3.901 -0.667) 4.783 6.344 ( -1.860 -2.700 -0.054) 3.280 6.418 ( 0.204 0.114 0.020) 0.234 6.622 ( 1.543 1.391 0.208) 2.088 7.033 ( -6.264 -10.523 -0.046) 12.247 7.341 ( -0.149 -0.359 0.022) 0.389 8.206 ( 3.740 6.349 -0.017) 7.369 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -4.377 -1.917 -0.716) 4.831 2.363 ( -3.696 -0.477 -1.970) 4.216 2.511 ( -2.678 -3.474 1.130) 4.530 2.707 ( -0.652 -0.326 -0.388) 0.826 2.982 ( -1.179 -3.694 2.246) 4.481 3.822 ( -0.297 2.032 -0.389) 2.090 6.268 ( -4.495 -1.580 0.415) 4.782 6.415 ( -2.260 2.536 -0.615) 3.453 6.625 ( -2.928 -1.154 -1.157) 3.353 6.881 ( 3.008 -10.495 0.810) 10.948 7.337 ( 0.385 -0.320 -0.397) 0.639 8.320 ( 2.472 5.511 -0.204) 6.044 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -0.000 1.046 -0.504) 1.162 2.080 ( -0.000 0.759 -1.865) 2.013 2.479 ( 0.000 1.988 0.255) 2.004 2.625 ( 0.000 1.301 0.521) 1.401 2.865 ( 0.000 -2.659 2.268) 3.495 4.094 ( -0.000 3.560 -0.709) 3.630 6.179 ( 0.000 2.100 0.053) 2.100 6.475 ( -0.000 0.693 -0.043) 0.694 6.488 ( -0.000 5.995 -1.467) 6.172 6.755 ( 0.000 -6.037 1.208) 6.157 7.369 ( -0.000 -1.476 -0.781) 1.670 8.441 ( -0.000 0.141 -0.291) 0.323 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 6.945 -0.043 -0.178) 6.947 2.133 ( 3.658 3.744 3.075) 6.070 2.533 ( 5.695 -0.447 -0.752) 5.761 2.629 ( -0.180 -0.310 0.397) 0.535 2.836 ( -1.438 -1.766 0.790) 2.411 4.080 ( -2.867 -0.441 -1.976) 3.510 6.230 ( 4.299 -0.169 -0.119) 4.304 6.451 ( -2.180 0.628 0.083) 2.270 6.557 ( 2.060 1.319 0.510) 2.499 6.742 ( 3.509 -1.288 -0.187) 3.743 7.359 ( -0.470 0.465 -0.276) 0.717 8.412 ( -3.488 0.187 -0.038) 3.494 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 7.022 -2.509 -0.914) 7.512 2.277 ( 5.554 3.964 4.436) 8.139 2.601 ( 0.699 -2.180 -1.614) 2.801 2.687 ( 11.572 -1.108 1.530) 11.725 2.786 ( -2.889 -0.796 -0.689) 3.075 3.986 ( -5.094 -3.040 -1.960) 6.248 6.290 ( 4.044 -2.996 -0.821) 5.100 6.412 ( -1.450 -2.392 0.750) 2.895 6.596 ( 1.672 0.790 1.532) 2.402 6.857 ( 8.625 2.820 -0.425) 9.084 7.358 ( -0.912 1.699 0.062) 1.930 8.329 ( -6.267 0.159 0.093) 6.270 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 5.577 -4.995 -1.036) 7.558 2.376 ( 3.099 -0.911 1.876) 3.735 2.584 ( 0.938 -1.769 -1.286) 2.379 2.721 ( -3.394 -0.607 -1.158) 3.637 2.919 ( 14.657 -1.357 1.210) 14.769 3.855 ( -5.810 -2.931 -0.421) 6.521 6.296 ( 2.091 -5.230 -1.276) 5.775 6.376 ( 0.865 -3.687 0.631) 3.839 6.637 ( 0.164 2.563 2.420) 3.528 7.055 ( 10.683 1.944 0.226) 10.860 7.353 ( -1.998 1.586 -0.163) 2.556 8.218 ( -6.794 0.846 0.202) 6.850 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 3.294 -8.213 -1.698) 9.010 2.389 ( 1.348 -3.936 1.666) 4.482 2.599 ( 1.768 -1.036 -0.401) 2.088 2.664 ( -1.892 0.623 -2.082) 2.882 3.098 ( 8.395 -5.291 -0.237) 9.926 3.760 ( -2.987 0.142 1.242) 3.238 6.276 ( 2.669 -5.402 -1.024) 6.112 6.368 ( 2.327 -4.036 0.248) 4.666 6.659 ( -1.500 2.550 2.738) 4.031 7.196 ( 3.061 -2.248 1.213) 3.987 7.321 ( -1.758 1.241 -1.221) 2.474 8.152 ( -2.503 3.453 0.364) 4.280 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 2.196 -7.946 -0.359) 8.251 2.373 ( 1.198 -4.480 2.256) 5.157 2.574 ( -1.604 -2.210 -1.685) 3.208 2.684 ( 2.206 0.726 -0.328) 2.346 3.085 ( -1.326 -6.740 -1.559) 7.044 3.771 ( 1.774 1.795 0.960) 2.700 6.277 ( 3.435 -5.011 -0.884) 6.139 6.377 ( 2.867 -3.066 0.545) 4.233 6.651 ( -1.842 0.293 2.182) 2.871 7.090 ( -8.808 -4.292 -0.224) 9.801 7.335 ( 0.658 0.415 0.024) 0.778 8.207 ( 2.825 5.476 0.347) 6.172 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 0.000 0.962 2.266) 2.461 2.157 ( 0.000 5.377 6.427) 8.380 2.462 ( -0.000 -3.305 -1.602) 3.673 2.621 ( 0.000 -1.742 0.123) 1.746 2.836 ( -0.000 -0.736 -0.872) 1.141 4.070 ( -0.000 -4.751 -3.326) 5.799 6.178 ( -0.000 -2.240 -0.096) 2.242 6.475 ( 0.000 -0.622 0.003) 0.622 6.519 ( 0.000 -4.672 1.879) 5.035 6.736 ( -0.000 5.769 -0.857) 5.832 7.376 ( -0.000 2.335 0.021) 2.335 8.444 ( 0.000 0.284 0.085) 0.296 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 3.599 -0.343 2.206) 4.235 2.263 ( 2.778 4.319 6.923) 8.620 2.466 ( 6.337 -5.300 -1.604) 8.415 2.604 ( 0.708 -1.764 1.399) 2.360 2.816 ( -1.383 0.310 -2.609) 2.969 3.979 ( -1.620 -8.154 -3.670) 9.087 6.179 ( 3.658 -4.752 -0.504) 6.018 6.415 ( -2.636 -4.338 0.844) 5.146 6.532 ( 4.337 -2.554 0.844) 5.104 6.826 ( 2.344 7.941 0.656) 8.306 7.401 ( -0.803 3.720 0.070) 3.807 8.417 ( -3.598 0.390 0.106) 3.620 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 3.582 -3.569 0.564) 5.088 2.321 ( 2.129 -2.975 1.935) 4.139 2.506 ( 4.326 -5.988 -2.276) 7.729 2.674 ( 5.686 -2.210 6.437) 8.868 2.805 ( 0.990 4.907 -3.782) 6.274 3.853 ( -1.512 -9.255 -2.463) 9.696 6.184 ( 3.708 -6.810 -1.521) 7.902 6.336 ( -1.230 -4.924 1.027) 5.178 6.602 ( 5.049 -1.242 1.464) 5.402 6.969 ( 5.037 7.431 2.032) 9.204 7.416 ( -2.141 4.151 -0.393) 4.687 8.337 ( -6.138 0.661 0.177) 6.176 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 2.553 -8.284 -2.107) 8.921 2.313 ( 2.378 -6.729 1.654) 7.326 2.525 ( 4.322 -3.783 -0.705) 5.787 2.671 ( -0.833 -3.494 0.109) 3.594 2.952 ( 6.881 4.125 0.453) 8.035 3.751 ( 0.298 -7.594 -0.711) 7.633 6.167 ( 3.170 -6.977 -2.075) 7.940 6.291 ( 1.068 -4.659 1.272) 4.946 6.662 ( 2.656 -1.869 2.235) 3.942 7.136 ( 5.354 5.618 2.904) 8.286 7.397 ( -4.357 3.382 -1.654) 5.758 8.247 ( -5.206 1.954 0.556) 5.588 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 4.044 -9.609 -1.305) 10.506 2.290 ( 2.633 -7.828 3.081) 8.815 2.539 ( 1.268 -5.224 -0.905) 5.452 2.646 ( 1.730 -0.855 -0.056) 1.931 3.043 ( 1.120 0.289 -1.718) 2.071 3.723 ( 3.431 -4.446 0.021) 5.616 6.156 ( 3.998 -6.325 -1.692) 7.672 6.287 ( 2.966 -4.021 1.381) 5.184 6.660 ( -0.279 -4.043 2.170) 4.597 7.220 ( -4.733 4.177 2.306) 6.721 7.345 ( -1.870 1.980 -1.865) 3.301 8.230 ( -0.191 3.910 1.008) 4.042 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 0.000 0.724 3.840) 3.908 2.300 ( 0.000 1.307 7.055) 7.175 2.332 ( -0.000 -8.467 -2.979) 8.976 2.593 ( 0.000 -0.037 4.243) 4.243 2.825 ( -0.000 1.355 -4.250) 4.461 3.872 ( -0.000 -12.897 -4.729) 13.737 6.090 ( -0.000 -6.541 -0.197) 6.544 6.405 ( 0.000 -6.159 0.342) 6.168 6.457 ( 0.000 -0.998 0.062) 1.000 6.897 ( 0.000 8.685 2.620) 9.071 7.453 ( -0.000 5.365 -0.131) 5.366 8.455 ( -0.000 0.857 -0.039) 0.858 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -0.044 -1.714 2.048) 2.671 2.238 ( 1.301 -9.066 -1.337) 9.256 2.339 ( 5.337 -7.394 0.048) 9.119 2.640 ( 1.391 0.968 8.846) 9.007 2.838 ( 0.218 5.648 -3.959) 6.900 3.722 ( 0.932 -15.608 -4.326) 16.223 6.045 ( 3.010 -8.398 -0.599) 8.942 6.325 ( -2.166 -4.174 0.086) 4.703 6.497 ( 4.810 -1.433 0.194) 5.023 7.004 ( 1.796 8.050 4.375) 9.336 7.498 ( -1.523 6.311 -0.727) 6.533 8.432 ( -3.758 1.276 -0.151) 3.972 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -0.927 -9.072 -3.348) 9.715 2.182 ( 3.319 -10.397 0.783) 10.943 2.375 ( 6.914 -6.173 0.206) 9.271 2.650 ( -0.507 -3.486 3.082) 4.681 2.944 ( 2.819 8.902 1.555) 9.466 3.595 ( 3.850 -15.277 -3.257) 16.088 6.016 ( 4.131 -9.191 -1.386) 10.171 6.262 ( -1.312 -2.577 0.600) 2.954 6.570 ( 5.080 -2.467 0.750) 5.697 7.140 ( 3.638 7.092 5.310) 9.578 7.512 ( -3.994 6.348 -1.947) 7.749 8.363 ( -5.764 1.931 0.257) 6.084 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 2.813 -12.328 -3.357) 13.083 2.146 ( 4.169 -11.176 2.856) 12.265 2.429 ( 4.910 -5.738 0.700) 7.584 2.613 ( 0.380 -2.670 0.705) 2.788 3.053 ( 0.614 4.835 1.142) 5.005 3.549 ( 7.439 -11.658 -3.023) 14.156 6.000 ( 4.965 -8.621 -1.632) 10.081 6.235 ( 0.150 -1.530 1.221) 1.963 6.602 ( 2.124 -4.603 1.221) 5.215 7.284 ( 3.513 5.856 5.214) 8.592 7.465 ( -7.607 5.607 -3.641) 10.127 8.302 ( -3.810 3.133 1.411) 5.131 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -0.000 -3.939 -2.338) 4.580 2.122 ( 0.000 -8.796 2.284) 9.087 2.193 ( -0.000 -11.821 -2.146) 12.014 2.656 ( 0.000 -2.055 6.744) 7.050 2.901 ( 0.000 9.578 0.733) 9.606 3.517 ( -0.000 -20.173 -5.073) 20.801 5.930 ( 0.000 -9.394 -0.051) 9.394 6.312 ( -0.000 -2.714 -0.783) 2.825 6.443 ( -0.000 -0.341 -0.021) 0.342 7.077 ( 0.000 6.519 6.177) 8.981 7.579 ( -0.000 7.853 -1.219) 7.947 8.480 ( -0.000 1.998 -0.646) 2.100 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -3.256 -13.549 -8.001) 16.068 2.032 ( 1.072 -11.863 0.771) 11.936 2.193 ( 7.482 -5.174 2.381) 9.403 2.627 ( -0.366 -5.183 2.116) 5.611 3.019 ( 0.735 9.285 6.469) 11.340 3.329 ( 4.120 -20.483 -5.858) 21.699 5.859 ( 2.695 -9.893 -0.266) 10.257 6.277 ( -1.683 -0.332 -0.422) 1.766 6.477 ( 3.628 -0.655 -0.045) 3.687 7.169 ( 2.079 4.793 7.200) 8.895 7.636 ( -2.477 8.643 -2.067) 9.226 8.467 ( -3.710 2.555 -0.654) 4.552 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 0.074 -16.695 -7.182) 18.175 1.958 ( 4.342 -13.734 1.763) 14.511 2.283 ( 6.611 -4.078 2.639) 8.204 2.574 ( 0.397 -5.215 0.143) 5.232 3.090 ( 1.525 -5.092 8.372) 9.917 3.266 ( 7.562 -7.155 -8.279) 13.301 5.824 ( 4.550 -9.447 -0.751) 10.512 6.253 ( -1.719 1.304 0.379) 2.191 6.524 ( 2.903 -2.283 0.301) 3.706 7.281 ( 3.820 3.295 6.259) 8.040 7.644 ( -5.878 8.767 -2.942) 10.958 8.416 ( -5.054 3.185 0.627) 6.007 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -0.000 -16.428 -8.668) 18.575 1.869 ( -0.000 -18.173 -6.450) 19.283 2.111 ( 0.000 -0.489 6.618) 6.636 2.564 ( 0.000 -8.968 0.277) 8.972 3.011 ( 0.000 -23.507 5.496) 24.141 3.174 ( -0.000 9.305 -2.038) 9.526 5.739 ( 0.000 -9.770 0.350) 9.776 6.299 ( -0.000 1.803 -0.740) 1.949 6.446 ( -0.000 0.673 -0.258) 0.721 7.207 ( 0.000 2.149 8.574) 8.839 7.744 ( -0.000 9.971 -2.354) 10.245 8.524 ( -0.000 3.025 -1.505) 3.379 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -3.474 -19.761 -10.086) 22.457 1.726 ( 5.410 -17.732 -3.179) 18.809 2.167 ( 4.536 -1.318 4.790) 6.727 2.473 ( 2.560 -12.261 -0.806) 12.552 2.814 ( 5.121 -24.728 1.180) 25.281 3.282 ( -0.360 10.296 1.861) 10.469 5.670 ( 2.586 -9.072 0.200) 9.436 6.308 ( -1.647 3.499 -0.176) 3.872 6.472 ( 1.889 0.295 -0.242) 1.927 7.265 ( 2.435 0.366 8.247) 8.607 7.809 ( -3.322 10.337 -2.732) 11.196 8.521 ( -3.242 3.225 -1.054) 4.693 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -0.000 -19.574 -9.719) 21.854 1.426 ( -0.000 -21.849 -9.381) 23.777 2.138 ( 0.000 -0.379 5.093) 5.107 2.234 ( 0.000 -27.770 1.432) 27.807 2.580 ( -0.000 -15.490 -0.907) 15.517 3.394 ( 0.000 9.272 3.506) 9.913 5.565 ( 0.000 -8.138 0.718) 8.169 6.364 ( -0.000 4.683 -0.107) 4.684 6.466 ( -0.000 1.574 -0.449) 1.637 7.262 ( 0.000 -1.778 9.612) 9.775 7.935 ( -0.000 10.959 -2.727) 11.293 8.574 ( -0.000 2.903 -2.209) 3.648 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 0.000 -0.000 22.936) 22.936 0.416 ( 0.000 -0.000 22.936) 22.936 0.731 ( 0.000 -0.000 40.748) 40.748 2.115 ( -0.000 0.000 -3.578) 3.578 2.115 ( -0.000 0.000 -3.578) 3.578 4.055 ( -0.000 0.000 -9.991) 9.991 5.328 ( -0.000 0.000 -0.060) 0.060 5.328 ( -0.000 0.000 -0.060) 0.060 6.544 ( 0.000 -0.000 0.126) 0.126 6.544 ( 0.000 -0.000 0.126) 0.126 8.443 ( 0.000 -0.000 2.283) 2.283 8.752 ( -0.000 0.000 -0.945) 0.945 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 8.898 5.137 14.892) 18.093 0.642 ( 7.365 4.252 22.361) 23.923 1.213 ( 26.883 15.521 24.448) 39.513 2.133 ( 3.483 2.011 -4.911) 6.347 2.134 ( 1.505 0.869 -2.906) 3.386 3.673 ( -9.304 -5.372 -1.183) 10.809 5.363 ( 2.740 1.582 0.205) 3.170 6.453 ( 41.616 24.027 -41.758) 63.663 6.527 ( -1.300 -0.750 -0.013) 1.501 6.528 ( -1.223 -0.706 -0.261) 1.436 8.390 ( -6.059 -3.498 3.630) 7.882 8.643 ( -5.631 -3.251 1.909) 6.776 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 14.306 8.259 6.532) 17.763 0.908 ( 11.274 6.509 12.690) 18.180 1.899 ( 27.379 15.807 10.912) 33.444 2.166 ( 1.987 1.147 -2.091) 3.104 2.237 ( 6.883 3.974 -2.773) 8.418 3.535 ( -3.529 -2.038 -3.962) 5.684 5.452 ( 5.060 2.921 0.341) 5.852 6.457 ( -4.169 -2.407 -0.456) 4.835 6.490 ( -1.801 -1.040 -0.111) 2.082 6.984 ( 18.293 10.562 -21.430) 30.091 8.207 ( -10.533 -6.081 5.202) 13.228 8.536 ( -4.522 -2.611 -2.118) 5.635 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 14.915 8.611 2.179) 17.359 1.210 ( 13.156 7.596 3.487) 15.586 2.211 ( 2.382 1.375 -1.097) 2.961 2.324 ( 9.424 5.441 -10.719) 15.275 2.561 ( 20.272 11.704 11.895) 26.257 3.480 ( -0.511 -0.295 -0.637) 0.868 5.591 ( 7.069 4.081 0.387) 8.172 6.348 ( -4.880 -2.817 -0.716) 5.680 6.451 ( -1.442 -0.832 -0.174) 1.674 7.252 ( 10.058 5.807 -10.284) 15.512 7.962 ( -12.283 -7.092 4.548) 14.895 8.421 ( -4.460 -2.575 -4.141) 6.609 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 13.203 7.623 -0.522) 15.255 1.514 ( 13.452 7.766 -2.540) 15.739 2.266 ( 2.678 1.546 0.095) 3.094 2.472 ( 6.658 3.844 -7.136) 10.489 2.957 ( 11.068 6.390 3.681) 13.300 3.528 ( 4.542 2.622 4.913) 7.186 5.767 ( 8.153 4.707 0.395) 9.422 6.254 ( -2.783 -1.607 -0.868) 3.329 6.429 ( -0.453 -0.262 -0.207) 0.563 7.377 ( 3.108 1.794 -7.071) 7.930 7.684 ( -13.251 -7.651 3.921) 15.795 8.337 ( -1.474 -0.851 -3.319) 3.730 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 10.022 5.786 -2.351) 11.809 1.796 ( 12.503 7.218 -5.452) 15.432 2.330 ( 2.721 1.571 1.346) 3.418 2.585 ( 4.830 2.788 -4.329) 7.060 3.084 ( 0.746 0.431 1.631) 1.844 3.688 ( 6.812 3.933 5.871) 9.815 5.949 ( 7.596 4.386 0.355) 8.778 6.234 ( 1.499 0.866 -1.008) 2.003 6.430 ( 0.615 0.355 -0.189) 0.735 7.321 ( -8.255 -4.766 -7.580) 12.179 7.438 ( -6.637 -3.832 4.347) 8.811 8.339 ( 1.825 1.054 -1.195) 2.423 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 6.438 3.717 -3.231) 8.106 2.041 ( 10.611 6.126 -6.406) 13.826 2.391 ( 1.946 1.124 2.212) 3.154 2.658 ( 2.347 1.355 -2.546) 3.718 3.051 ( -3.280 -1.894 1.364) 4.026 3.828 ( 3.949 2.280 5.098) 6.840 6.098 ( 5.210 3.008 0.236) 6.020 6.318 ( 6.072 3.505 -1.153) 7.105 6.451 ( 1.136 0.656 -0.097) 1.316 7.050 ( -12.218 -7.054 -2.065) 14.259 7.361 ( -2.195 -1.267 -0.015) 2.534 8.389 ( 2.307 1.332 -0.095) 2.666 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 3.436 1.984 -2.990) 4.968 2.233 ( 7.856 4.536 -5.699) 10.713 2.420 ( -0.160 -0.092 2.295) 2.303 2.674 ( -0.227 -0.131 -1.321) 1.346 2.969 ( -3.698 -2.135 -0.993) 4.384 3.896 ( 0.655 0.378 5.416) 5.469 6.178 ( 1.753 1.012 0.094) 2.026 6.473 ( 0.607 0.350 0.009) 0.701 6.491 ( 9.244 5.337 -1.421) 10.768 6.786 ( -10.586 -6.112 0.203) 12.226 7.334 ( -0.206 -0.119 0.144) 0.278 8.428 ( 1.030 0.594 0.099) 1.193 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 0.913 0.527 -1.593) 1.910 2.343 ( 1.870 1.079 -0.865) 2.326 2.390 ( -3.042 -1.756 1.406) 3.784 2.670 ( 1.352 0.781 -2.013) 2.547 2.889 ( -2.635 -1.521 -4.041) 5.058 3.884 ( -3.333 -1.924 4.926) 6.251 6.175 ( -1.974 -1.140 0.002) 2.279 6.474 ( -0.500 -0.289 0.056) 0.580 6.543 ( -7.982 -4.609 0.883) 9.260 6.749 ( 10.568 6.101 -1.463) 12.290 7.354 ( 1.863 1.076 0.995) 2.370 8.436 ( -0.267 -0.154 0.440) 0.537 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -2.811 -1.623 1.881) 3.751 2.291 ( -6.637 -3.832 5.561) 9.469 2.299 ( -4.554 -2.629 -1.426) 5.449 2.733 ( 2.117 1.222 1.457) 2.846 2.845 ( 2.374 1.370 -9.803) 10.179 3.759 ( -9.070 -5.236 2.535) 10.775 6.089 ( -5.566 -3.214 -0.126) 6.429 6.380 ( -6.103 -3.524 1.774) 7.267 6.456 ( -0.905 -0.523 0.124) 1.053 6.998 ( 11.178 6.453 -4.007) 13.515 7.422 ( 3.768 2.175 2.083) 4.824 8.430 ( -0.291 -0.168 1.615) 1.650 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -9.822 -5.671 6.549) 13.096 2.097 ( -12.137 -7.007 8.127) 16.200 2.209 ( -2.118 -1.223 -5.235) 5.778 2.697 ( -4.073 -2.352 0.868) 4.783 2.979 ( 9.123 5.267 -5.536) 11.900 3.479 ( -15.850 -9.151 -1.541) 18.366 5.933 ( -7.943 -4.586 -0.349) 9.178 6.290 ( -2.191 -1.265 1.614) 3.001 6.441 ( -0.408 -0.235 0.260) 0.538 7.200 ( 7.545 4.356 -7.332) 11.387 7.540 ( 6.178 3.567 3.292) 7.857 8.445 ( 1.214 0.701 3.150) 3.448 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -14.670 -8.469 8.164) 18.804 1.799 ( -16.262 -9.389 9.087) 20.861 2.164 ( -0.700 -0.404 -5.564) 5.622 2.569 ( -7.888 -4.554 -0.947) 9.157 3.006 ( -20.132 -11.623 5.038) 23.786 3.214 ( 7.686 4.438 -9.551) 13.038 5.743 ( -8.356 -4.824 -0.586) 9.667 6.291 ( 1.844 1.065 0.931) 2.324 6.443 ( 0.527 0.304 0.391) 0.723 7.284 ( 2.175 1.256 -8.579) 8.939 7.720 ( 8.645 4.991 3.014) 10.428 8.502 ( 2.737 1.580 3.480) 4.701 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 0.000 18.681 12.697) 22.587 0.791 ( 0.000 15.789 17.943) 23.901 1.196 ( 0.000 20.833 30.255) 36.734 2.068 ( -0.000 -0.920 -5.605) 5.680 2.171 ( -0.000 6.352 -3.677) 7.339 3.665 ( -0.000 -12.039 -2.717) 12.341 5.346 ( -0.000 2.406 -0.255) 2.420 6.325 ( -0.000 46.780 -36.032) 59.047 6.523 ( -0.000 -1.247 -0.725) 1.443 6.536 ( 0.000 -1.088 0.241) 1.114 8.398 ( 0.000 -6.897 3.487) 7.728 8.667 ( 0.000 -4.326 0.831) 4.405 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -0.566 22.043 7.941) 23.436 0.961 ( 0.546 14.307 18.275) 23.216 1.703 ( 19.674 21.207 15.722) 32.924 2.089 ( 5.209 0.046 -3.822) 6.461 2.234 ( 0.699 7.673 -3.978) 8.671 3.534 ( -2.215 -5.836 -5.173) 8.107 5.410 ( 3.561 3.642 0.019) 5.093 6.472 ( -1.643 -3.572 -0.650) 3.986 6.512 ( -1.357 -1.110 0.108) 1.757 6.760 ( 14.968 21.536 -24.745) 36.057 8.281 ( -5.264 -9.600 4.570) 11.864 8.591 ( -4.451 -2.133 -1.253) 5.092 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 3.097 16.331 12.380) 20.726 1.209 ( 5.278 17.402 3.684) 18.554 2.102 ( 8.923 2.624 -6.412) 11.297 2.290 ( 3.376 11.782 -6.432) 13.842 2.397 ( 16.910 11.750 12.697) 24.192 3.459 ( 0.222 -3.165 -3.351) 4.615 5.531 ( 5.515 5.241 0.281) 7.613 6.382 ( -3.641 -4.380 -0.632) 5.730 6.478 ( -1.697 -0.156 -0.108) 1.707 7.086 ( 12.589 9.097 -13.585) 20.634 8.078 ( -8.831 -9.679 4.718) 13.926 8.474 ( -5.766 -2.185 -3.406) 7.044 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 6.704 12.414 7.940) 16.189 1.484 ( 6.872 16.783 -2.231) 18.272 2.223 ( 5.346 2.210 -2.725) 6.395 2.403 ( 3.987 6.879 -7.359) 10.834 2.839 ( 13.893 10.610 5.746) 18.401 3.474 ( 4.358 -0.258 1.842) 4.738 5.697 ( 6.840 6.600 0.466) 9.517 6.278 ( -3.295 -3.500 -0.709) 4.859 6.456 ( -1.496 1.382 -0.292) 2.057 7.282 ( 7.426 2.445 -8.367) 11.452 7.828 ( -11.289 -8.832 4.192) 14.934 8.355 ( -3.807 -1.963 -3.487) 5.523 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 8.085 9.676 2.781) 12.912 1.744 ( 6.741 14.351 -4.070) 16.369 2.318 ( 2.925 4.079 -0.252) 5.026 2.518 ( 5.029 4.271 -5.012) 8.285 3.061 ( 4.099 2.647 1.037) 4.989 3.612 ( 7.953 2.912 4.938) 9.804 5.885 ( 6.899 7.172 0.606) 9.969 6.218 ( -0.286 -1.289 -0.767) 1.527 6.454 ( -1.042 2.962 -0.412) 3.167 7.326 ( 0.102 -2.253 -8.269) 8.571 7.563 ( -11.387 -6.838 4.541) 14.038 8.307 ( 0.854 -1.087 -1.560) 2.084 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 6.491 7.332 -0.099) 9.792 1.966 ( 6.333 11.478 -5.235) 14.116 2.401 ( 1.391 4.887 1.255) 5.234 2.616 ( 3.704 2.450 -3.034) 5.378 3.081 ( -1.638 -1.375 0.736) 2.261 3.777 ( 6.257 1.969 4.419) 7.909 6.060 ( 5.154 6.628 0.671) 8.423 6.248 ( 4.133 1.254 -0.903) 4.413 6.473 ( -0.653 3.931 -0.423) 4.007 7.172 ( -9.952 -5.762 -5.140) 12.596 7.396 ( -4.147 -2.623 2.035) 5.312 8.338 ( 3.532 -1.065 -0.095) 3.691 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 3.095 5.489 -1.758) 6.542 2.155 ( 6.252 8.435 -5.473) 11.841 2.460 ( -0.745 4.556 2.134) 5.086 2.667 ( 1.106 0.934 -1.885) 2.377 3.009 ( -4.023 -2.575 -0.679) 4.824 3.881 ( 3.331 0.017 4.957) 5.972 6.181 ( 1.892 5.186 0.499) 5.543 6.366 ( 7.232 2.064 -0.915) 7.577 6.507 ( 0.157 4.702 -0.455) 4.727 6.922 ( -11.424 -4.618 -1.309) 12.391 7.341 ( -1.156 -0.786 0.290) 1.428 8.385 ( 3.293 -1.875 0.169) 3.793 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 0.567 3.556 -2.006) 4.122 2.301 ( 4.414 4.858 -4.055) 7.716 2.468 ( -3.793 3.409 2.315) 5.600 2.668 ( -0.554 0.785 -1.501) 1.782 2.911 ( -3.593 -2.439 -2.953) 5.252 3.916 ( -0.310 -1.600 5.485) 5.722 6.221 ( -2.119 2.938 0.238) 3.630 6.456 ( 1.821 -1.078 -0.135) 2.121 6.600 ( 2.945 3.770 -1.460) 5.002 6.725 ( -5.643 1.633 0.653) 5.911 7.339 ( 0.942 0.413 0.552) 1.167 8.407 ( 2.035 -2.777 0.183) 3.448 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -1.477 0.631 -0.643) 1.730 2.341 ( -2.511 -0.540 0.391) 2.598 2.414 ( -6.324 2.057 2.268) 7.026 2.697 ( 3.027 3.600 -2.266) 5.221 2.829 ( -2.155 -1.495 -5.493) 6.087 3.858 ( -5.878 -3.454 4.362) 8.094 6.169 ( -5.655 -0.048 0.166) 5.658 6.418 ( -3.235 -4.373 0.609) 5.474 6.536 ( -5.615 2.697 0.519) 6.250 6.878 ( 9.601 7.866 -2.636) 12.688 7.383 ( 3.074 0.983 1.288) 3.474 8.407 ( 1.467 -3.100 0.780) 3.517 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -5.360 -4.619 3.618) 7.947 2.227 ( -8.220 -2.875 1.320) 8.808 2.313 ( -8.132 2.130 1.155) 8.485 2.730 ( -2.417 -2.817 1.134) 3.881 2.866 ( 7.876 6.547 -8.250) 13.151 3.661 ( -13.449 -5.807 2.016) 14.787 6.038 ( -8.312 -2.153 0.109) 8.587 6.316 ( -3.192 -3.382 1.092) 4.777 6.495 ( -3.728 3.634 0.333) 5.217 7.097 ( 8.456 6.545 -5.659) 12.098 7.471 ( 5.539 1.231 2.378) 6.152 8.413 ( 2.369 -2.470 1.879) 3.905 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -11.778 -9.992 7.977) 17.384 2.021 ( -13.006 -4.152 3.203) 14.023 2.219 ( -5.707 3.917 -3.414) 7.718 2.637 ( -4.920 -3.541 -0.402) 6.075 3.071 ( 10.015 6.222 -3.992) 12.448 3.299 ( -21.468 -7.915 0.152) 22.881 5.858 ( -9.631 -2.845 -0.056) 10.043 6.271 ( 0.482 -1.215 0.800) 1.532 6.476 ( -2.452 2.896 0.268) 3.804 7.235 ( 3.774 4.107 -7.777) 9.570 7.614 ( 8.659 1.906 2.970) 9.351 8.455 ( 3.925 -1.444 2.250) 4.749 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.000 21.425 7.063) 22.559 1.205 ( 0.000 16.883 12.803) 21.189 1.823 ( 0.000 27.368 18.909) 33.265 2.017 ( -0.000 -0.543 -6.662) 6.684 2.298 ( -0.000 8.586 -5.029) 9.950 3.470 ( -0.000 -6.620 -5.547) 8.637 5.421 ( -0.000 5.460 -0.132) 5.461 6.448 ( -0.000 -3.965 -0.387) 3.984 6.507 ( 0.000 -1.825 0.163) 1.832 6.787 ( -0.000 20.317 -19.751) 28.335 8.231 ( 0.000 -11.642 4.039) 12.323 8.607 ( -0.000 -2.150 -2.194) 3.071 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 0.460 20.362 2.240) 20.490 1.375 ( -2.856 17.560 14.558) 22.988 2.003 ( 3.472 3.300 -7.129) 8.589 2.295 ( 14.190 21.888 10.699) 28.194 2.363 ( 0.181 7.619 -5.033) 9.134 3.400 ( 0.562 -4.845 -3.566) 6.041 5.513 ( 3.455 6.833 0.180) 7.659 6.386 ( -2.188 -4.528 -0.341) 5.040 6.489 ( -0.222 -1.129 -0.053) 1.152 6.971 ( 7.428 11.376 -12.697) 18.596 8.091 ( -3.895 -11.859 3.753) 13.035 8.537 ( -4.521 -2.092 -3.394) 6.028 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -1.337 15.304 9.799) 18.221 1.580 ( 2.107 19.238 1.247) 19.393 2.119 ( 7.896 3.765 -5.710) 10.446 2.419 ( 0.681 6.872 -6.975) 9.816 2.750 ( 12.735 15.332 5.474) 20.669 3.396 ( 3.816 -1.663 1.169) 4.324 5.666 ( 5.551 8.189 0.610) 9.912 6.295 ( -3.162 -3.896 -0.514) 5.044 6.483 ( -0.153 0.838 -0.474) 0.974 7.150 ( 7.923 3.556 -7.825) 11.690 7.899 ( -6.792 -10.734 3.515) 13.180 8.411 ( -5.992 -2.005 -3.828) 7.388 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 1.786 12.730 5.510) 13.986 1.806 ( 3.109 16.912 -0.281) 17.197 2.282 ( 6.693 5.519 -2.461) 9.018 2.486 ( 2.504 5.261 -5.201) 7.810 3.012 ( 5.758 4.822 -0.141) 7.511 3.516 ( 7.806 3.140 4.536) 9.558 5.856 ( 6.328 9.068 1.000) 11.102 6.218 ( -1.820 -1.986 -0.632) 2.767 6.498 ( -0.190 3.142 -0.897) 3.273 7.244 ( 4.220 -1.646 -6.489) 7.914 7.679 ( -8.990 -8.502 3.406) 12.834 8.301 ( -2.967 -1.830 -2.551) 4.320 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 3.526 10.618 3.712) 11.787 2.003 ( 2.809 13.715 -2.588) 14.237 2.426 ( 3.392 6.894 -0.129) 7.685 2.572 ( 3.557 3.589 -3.056) 5.905 3.080 ( 0.945 -0.572 -0.322) 1.151 3.691 ( 7.062 2.503 3.159) 8.131 6.050 ( 5.434 8.702 1.390) 10.353 6.205 ( 1.641 0.626 -0.851) 1.952 6.528 ( -0.543 4.627 -1.156) 4.800 7.215 ( -2.489 -3.815 -6.316) 7.787 7.471 ( -7.723 -5.044 3.264) 9.785 8.268 ( 1.777 -2.357 -0.636) 3.019 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 2.134 8.618 2.087) 9.120 2.158 ( 2.926 10.436 -3.920) 11.525 2.527 ( 0.445 6.443 1.553) 6.642 2.646 ( 2.356 2.410 -1.872) 3.856 3.048 ( -2.989 -1.362 -1.117) 3.469 3.813 ( 5.359 -0.590 3.009) 6.174 6.201 ( 3.112 6.256 1.470) 7.140 6.284 ( 5.131 3.425 -1.004) 6.250 6.557 ( -0.822 4.356 -1.201) 4.592 7.061 ( -9.171 -2.362 -2.968) 9.925 7.361 ( -2.560 -1.761 1.156) 3.315 8.292 ( 3.990 -3.604 0.136) 5.378 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -0.675 6.610 0.179) 6.647 2.284 ( 2.985 7.051 -3.543) 8.437 2.567 ( -2.170 3.344 2.387) 4.647 2.687 ( 0.146 2.699 -1.091) 2.914 2.959 ( -5.302 -0.280 -3.268) 6.234 3.884 ( 3.509 -2.531 4.160) 6.002 6.285 ( -0.231 4.405 0.778) 4.479 6.398 ( 4.346 1.683 -0.527) 4.690 6.589 ( 1.328 2.971 -1.263) 3.491 6.889 ( -9.617 3.026 -0.203) 10.084 7.336 ( -0.129 0.007 0.288) 0.316 8.319 ( 3.803 -4.807 0.119) 6.130 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -3.130 3.569 -0.427) 4.766 2.363 ( 0.698 3.154 -1.815) 3.705 2.538 ( -4.345 1.093 2.604) 5.182 2.709 ( -0.074 3.075 -0.205) 3.083 2.861 ( -5.058 1.593 -5.440) 7.597 3.896 ( -0.620 -3.404 4.146) 5.400 6.269 ( -4.941 1.209 0.537) 5.115 6.424 ( -1.087 -2.159 -0.049) 2.417 6.633 ( -0.586 2.152 -0.763) 2.357 6.858 ( 0.097 9.847 -0.585) 9.865 7.351 ( 1.587 0.322 0.526) 1.702 8.327 ( 3.119 -5.314 0.247) 6.167 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -5.428 -1.176 1.136) 5.669 2.337 ( -5.414 -0.123 -0.008) 5.415 2.467 ( -6.438 2.085 1.859) 7.018 2.730 ( -0.361 -2.950 1.751) 3.450 2.829 ( 0.803 7.923 -7.492) 10.934 3.804 ( -7.547 -4.015 2.795) 8.994 6.163 ( -7.618 -0.906 0.821) 7.716 6.345 ( -3.934 -3.077 0.072) 4.995 6.616 ( -4.496 4.571 -0.080) 6.412 7.020 ( 6.822 8.528 -3.478) 11.461 7.400 ( 3.862 -0.303 1.416) 4.124 8.332 ( 3.370 -4.723 0.724) 5.847 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -9.353 -6.047 4.533) 12.025 2.189 ( -10.379 -1.613 -0.486) 10.515 2.377 ( -7.714 3.654 -0.320) 8.541 2.665 ( -2.736 -3.361 -0.557) 4.370 2.969 ( 7.195 6.698 -3.767) 10.527 3.571 ( -15.987 -4.072 2.086) 16.629 6.006 ( -9.711 -1.309 0.912) 9.841 6.266 ( -1.819 -2.032 -0.086) 2.729 6.574 ( -4.928 3.501 -0.205) 6.049 7.190 ( 5.289 6.636 -6.012) 10.400 7.491 ( 7.177 -0.843 2.773) 7.741 8.361 ( 4.533 -3.467 0.713) 5.752 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 0.000 19.590 3.210) 19.852 1.588 ( 0.000 15.989 7.103) 17.496 1.974 ( -0.000 0.155 -5.442) 5.444 2.415 ( -0.000 6.349 -5.724) 8.548 2.448 ( 0.000 26.875 7.693) 27.954 3.340 ( -0.000 -4.027 -0.792) 4.104 5.557 ( 0.000 8.329 0.203) 8.332 6.364 ( -0.000 -4.041 -0.126) 4.043 6.472 ( -0.000 -1.692 -0.054) 1.693 6.980 ( -0.000 8.733 -9.182) 12.672 8.011 ( 0.000 -12.504 2.754) 12.804 8.546 ( -0.000 -2.165 -3.872) 4.436 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -1.950 14.766 -3.030) 15.200 1.782 ( -0.173 16.335 10.196) 19.257 2.018 ( 5.930 3.604 -5.110) 8.618 2.448 ( 0.349 4.978 -8.955) 10.251 2.769 ( 6.098 18.670 4.473) 20.143 3.339 ( 2.286 0.304 4.074) 4.682 5.676 ( 3.444 9.386 0.529) 10.012 6.306 ( -2.322 -3.149 -0.367) 3.930 6.471 ( 1.350 -0.485 -0.389) 1.486 7.059 ( 4.177 3.298 -5.686) 7.788 7.874 ( -2.705 -11.806 2.106) 12.293 8.474 ( -4.394 -1.840 -4.048) 6.251 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 0.286 10.657 -2.410) 10.930 1.961 ( -0.209 15.371 7.746) 17.214 2.196 ( 9.148 7.031 -3.808) 12.150 2.484 ( 1.707 4.173 -7.009) 8.334 2.975 ( 3.777 4.977 -0.021) 6.248 3.464 ( 5.407 7.233 6.041) 10.864 5.852 ( 5.524 10.050 0.994) 11.511 6.237 ( -2.563 -1.457 -0.636) 3.016 6.504 ( 1.978 1.765 -1.061) 2.855 7.132 ( 4.736 -1.621 -3.896) 6.343 7.710 ( -4.612 -10.034 1.867) 11.200 8.356 ( -5.794 -1.294 -3.329) 6.806 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 3.020 9.809 0.604) 10.281 2.112 ( 0.204 12.191 2.471) 12.440 2.408 ( 7.005 8.149 -0.713) 10.769 2.549 ( 2.951 4.144 -3.994) 6.468 3.036 ( 2.612 -1.405 0.009) 2.966 3.637 ( 4.434 6.091 2.782) 8.031 6.050 ( 5.642 9.648 1.517) 11.279 6.201 ( -0.631 0.885 -0.858) 1.385 6.558 ( 1.476 3.449 -1.707) 4.122 7.159 ( 2.678 -3.438 -3.621) 5.666 7.540 ( -5.807 -7.234 1.882) 9.466 8.255 ( -3.249 -1.524 -1.706) 3.974 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 2.985 9.120 2.318) 9.872 2.224 ( 0.548 9.346 -0.805) 9.397 2.559 ( 2.830 4.838 0.716) 5.651 2.636 ( 2.512 5.125 -1.119) 5.816 3.058 ( 1.283 -0.408 -0.643) 1.492 3.736 ( 3.125 0.698 0.838) 3.310 6.207 ( 2.617 4.583 1.536) 5.497 6.253 ( 4.005 6.161 -0.695) 7.381 6.597 ( -0.086 2.643 -1.966) 3.295 7.138 ( -1.742 -0.515 -2.982) 3.492 7.400 ( -4.324 -3.753 1.633) 5.954 8.209 ( 0.739 -3.245 -0.348) 3.346 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 0.131 7.880 2.077) 8.150 2.314 ( 1.004 7.144 -1.799) 7.435 2.609 ( -0.133 1.008 0.677) 1.221 2.700 ( 0.797 1.541 0.825) 1.921 3.064 ( -3.565 6.033 -2.934) 7.597 3.784 ( 4.575 -3.901 1.777) 6.269 6.297 ( 3.305 3.708 0.470) 4.989 6.372 ( 2.438 4.626 0.162) 5.232 6.594 ( -0.587 -0.202 -1.585) 1.702 7.079 ( -6.787 5.493 -0.861) 8.774 7.342 ( -0.728 -0.741 0.417) 1.119 8.203 ( 3.219 -5.376 0.053) 6.266 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -3.852 5.681 0.935) 6.928 2.383 ( 0.631 4.508 -1.335) 4.744 2.592 ( -1.821 -0.749 1.283) 2.350 2.708 ( 0.789 -2.293 0.606) 2.500 3.031 ( -8.414 10.095 -4.016) 13.742 3.829 ( 4.694 -5.153 2.635) 7.451 6.351 ( -2.331 2.031 0.545) 3.139 6.414 ( 0.425 0.128 -0.290) 0.530 6.604 ( 3.190 0.101 -1.014) 3.349 7.036 ( -6.748 10.426 0.192) 12.420 7.339 ( 0.256 0.040 -0.105) 0.280 8.207 ( 3.993 -6.294 0.060) 7.454 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -7.100 1.381 0.980) 7.299 2.402 ( -1.959 1.508 -0.960) 2.652 2.560 ( -2.403 0.929 1.213) 2.848 2.697 ( 0.993 -3.424 1.226) 3.770 2.967 ( -8.121 9.442 -3.735) 13.002 3.836 ( 0.136 -4.277 1.721) 4.613 6.274 ( -6.276 -0.775 0.944) 6.393 6.386 ( -3.139 -1.285 -0.338) 3.409 6.672 ( 2.442 1.939 -1.361) 3.403 7.063 ( -2.089 10.621 -0.740) 10.850 7.347 ( 1.629 -1.336 0.429) 2.150 8.219 ( 4.155 -5.273 0.126) 6.715 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -9.053 -2.257 2.184) 9.583 2.327 ( -7.051 -0.738 -1.376) 7.222 2.520 ( -5.121 2.479 0.343) 5.700 2.667 ( -1.261 -3.160 0.838) 3.504 2.962 ( -0.215 6.859 -1.748) 7.081 3.744 ( -7.414 -2.799 0.841) 7.969 6.151 ( -7.802 -0.778 1.527) 7.988 6.300 ( -4.390 -1.250 -0.818) 4.637 6.679 ( -3.395 1.677 -1.428) 4.047 7.164 ( 3.638 7.579 -3.321) 9.039 7.380 ( 4.444 -2.720 2.041) 5.595 8.250 ( 4.455 -3.182 -0.160) 5.477 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -0.000 8.247 -6.607) 10.567 1.915 ( -0.000 14.438 -2.571) 14.665 2.007 ( 0.000 6.507 5.687) 8.642 2.454 ( -0.000 3.254 -9.951) 10.470 2.899 ( 0.000 12.446 3.408) 12.904 3.371 ( 0.000 7.579 7.877) 10.931 5.742 ( 0.000 9.994 0.496) 10.006 6.303 ( -0.000 -1.664 -0.705) 1.807 6.446 ( -0.000 -0.822 -0.269) 0.864 7.035 ( -0.000 0.873 -3.177) 3.295 7.785 ( 0.000 -11.508 0.892) 11.542 8.485 ( -0.000 -1.524 -3.984) 4.265 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -0.483 6.023 -6.554) 8.914 2.098 ( 5.257 5.912 -4.862) 9.286 2.121 ( 3.075 13.253 5.320) 14.608 2.469 ( 1.304 3.221 -6.822) 7.656 2.982 ( 0.419 1.879 3.021) 3.582 3.524 ( 1.907 13.486 6.998) 15.313 5.874 ( 3.628 10.112 0.700) 10.766 6.269 ( -2.287 0.004 -1.120) 2.546 6.468 ( 2.834 0.480 -0.701) 2.958 7.043 ( 2.383 -2.454 -1.325) 3.669 7.664 ( -1.716 -10.163 0.192) 10.309 8.425 ( -4.068 -0.834 -3.375) 5.351 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 3.660 6.926 -2.555) 8.240 2.193 ( 2.324 5.129 -1.674) 5.874 2.363 ( 8.397 10.984 0.533) 13.836 2.521 ( 2.659 3.489 -3.614) 5.684 2.988 ( 0.555 -2.997 3.303) 4.494 3.689 ( 0.607 11.010 3.015) 11.432 6.054 ( 5.479 9.576 1.073) 11.085 6.235 ( -2.006 1.942 -1.266) 3.066 6.535 ( 3.602 1.938 -1.516) 4.362 7.056 ( 3.589 -4.424 -0.512) 5.720 7.536 ( -2.690 -8.041 0.031) 8.479 8.325 ( -5.773 -0.249 -2.209) 6.186 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 5.107 7.564 0.426) 9.136 2.276 ( 2.413 4.697 -1.501) 5.490 2.555 ( 2.604 4.508 1.499) 5.418 2.629 ( 5.645 6.840 -2.119) 9.118 2.990 ( 3.679 -3.354 2.593) 5.613 3.759 ( -2.252 5.280 -0.177) 5.743 6.220 ( 2.209 5.185 1.190) 5.761 6.255 ( 2.546 6.292 -0.925) 6.850 6.596 ( 1.728 1.239 -2.011) 2.927 7.089 ( 4.727 -2.229 -0.496) 5.249 7.423 ( -2.930 -5.213 0.300) 5.988 8.223 ( -4.787 -0.865 -0.964) 4.959 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 3.436 6.680 0.959) 7.573 2.358 ( 1.809 5.177 -0.547) 5.511 2.610 ( 1.094 1.108 0.299) 1.586 2.706 ( -0.877 -0.236 0.833) 1.233 3.105 ( 7.063 5.830 0.244) 9.162 3.728 ( -2.752 -1.323 -0.830) 3.164 6.287 ( 2.140 4.359 -0.101) 4.857 6.377 ( 2.955 4.988 0.625) 5.831 6.593 ( -0.996 -1.736 -1.604) 2.565 7.167 ( 2.906 3.779 -0.743) 4.825 7.347 ( -1.540 -2.154 0.587) 2.712 8.143 ( -2.093 -3.092 -0.222) 3.740 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 0.040 4.826 0.391) 4.842 2.428 ( -0.112 5.505 0.374) 5.519 2.612 ( -1.667 -0.793 0.335) 1.877 2.659 ( 0.380 -4.920 0.360) 4.948 3.254 ( -2.829 13.023 -1.650) 13.428 3.679 ( 3.836 -7.625 0.771) 8.571 6.373 ( 2.433 3.848 -0.042) 4.553 6.437 ( -0.955 2.041 0.334) 2.278 6.548 ( 0.754 -3.130 -0.831) 3.325 7.222 ( -2.966 7.625 0.133) 8.183 7.335 ( 0.484 -0.096 -0.209) 0.536 8.096 ( 1.425 -5.024 -0.005) 5.223 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -6.203 1.897 0.662) 6.520 2.444 ( -1.996 1.679 -0.111) 2.610 2.589 ( 0.307 0.653 0.716) 1.016 2.640 ( 1.522 -3.674 0.331) 3.990 3.223 ( -11.486 8.889 -1.253) 14.578 3.726 ( 7.339 -5.389 0.342) 9.111 6.373 ( -5.742 -0.055 0.596) 5.773 6.416 ( -0.852 0.472 -0.172) 0.989 6.597 ( 5.850 -0.079 -1.174) 5.967 7.234 ( -4.839 8.175 0.346) 9.507 7.321 ( -0.654 -2.196 -0.325) 2.314 8.100 ( 4.114 -3.654 -0.029) 5.502 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -9.119 -1.053 1.330) 9.275 2.404 ( -3.552 -0.519 -1.565) 3.916 2.596 ( -1.811 1.071 0.266) 2.120 2.646 ( 1.454 -1.280 1.931) 2.735 3.096 ( -8.754 3.485 0.159) 9.423 3.770 ( 1.335 -1.909 -0.950) 2.516 6.267 ( -6.440 -0.258 0.989) 6.521 6.371 ( -4.220 -0.041 -0.396) 4.239 6.681 ( 3.250 -0.031 -2.188) 3.918 7.206 ( -2.890 1.446 -0.991) 3.380 7.310 ( 1.536 -0.946 1.071) 2.098 8.155 ( 4.410 -0.347 -0.286) 4.433 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -0.000 2.589 -6.500) 6.996 2.068 ( -0.000 5.054 -10.788) 11.914 2.227 ( 0.000 9.548 4.872) 10.719 2.482 ( -0.000 4.500 -2.644) 5.220 2.994 ( 0.000 -1.792 4.947) 5.262 3.677 ( 0.000 15.439 5.576) 16.415 5.938 ( 0.000 9.377 0.510) 9.390 6.298 ( -0.000 2.008 -1.964) 2.809 6.439 ( -0.000 0.351 -0.312) 0.470 6.992 ( 0.000 -4.067 0.593) 4.110 7.581 ( -0.000 -9.057 -0.913) 9.103 8.445 ( -0.000 -0.393 -2.875) 2.901 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 3.409 3.898 -3.324) 6.153 2.118 ( 5.391 1.104 -9.953) 11.373 2.361 ( 4.287 8.769 2.716) 10.132 2.530 ( 0.542 4.601 -0.106) 4.634 2.973 ( -0.776 -3.978 5.109) 6.521 3.824 ( -1.031 12.536 2.616) 12.847 6.062 ( 3.984 8.283 0.543) 9.207 6.295 ( -2.285 3.567 -2.018) 4.692 6.481 ( 3.631 1.285 -0.801) 3.935 6.962 ( 1.750 -5.611 1.563) 6.082 7.489 ( -0.997 -7.147 -1.287) 7.330 8.404 ( -3.742 0.188 -1.985) 4.240 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 6.438 5.827 0.370) 8.692 2.205 ( 6.850 0.111 -6.176) 9.224 2.558 ( 8.358 7.579 0.574) 11.297 2.580 ( 0.819 2.995 0.171) 3.109 2.930 ( -0.298 -5.069 4.838) 7.013 3.885 ( -4.066 7.774 -0.280) 8.777 6.219 ( 4.895 6.208 0.730) 7.940 6.298 ( -1.212 5.216 -1.558) 5.577 6.557 ( 3.440 1.140 -1.352) 3.868 6.964 ( 4.910 -5.252 1.547) 7.354 7.407 ( -1.346 -4.664 -0.981) 4.953 8.318 ( -5.982 0.443 -1.027) 6.086 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 5.452 5.092 0.675) 7.491 2.315 ( 6.734 1.462 -2.238) 7.246 2.609 ( 0.310 1.084 0.579) 1.268 2.722 ( 0.971 1.989 -0.747) 2.336 2.963 ( 10.243 -1.045 3.789) 10.971 3.837 ( -7.467 3.273 -1.675) 8.323 6.308 ( 0.856 4.531 -0.342) 4.624 6.372 ( 2.904 4.184 0.248) 5.099 6.585 ( -0.050 -0.921 -1.000) 1.360 7.058 ( 9.603 -1.342 0.509) 9.710 7.351 ( -1.100 -1.937 -0.245) 2.241 8.209 ( -6.632 -0.241 -0.366) 6.647 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 3.401 2.400 -0.007) 4.163 2.437 ( 5.073 3.017 -0.461) 5.920 2.614 ( 0.102 -1.283 0.142) 1.295 2.660 ( -4.942 -2.512 0.176) 5.547 3.225 ( 15.024 3.595 1.418) 15.513 3.697 ( -9.942 -0.234 -1.184) 10.015 6.374 ( 1.850 4.192 -0.262) 4.589 6.437 ( 2.497 0.191 0.383) 2.533 6.543 ( -2.946 -1.419 -0.257) 3.280 7.227 ( 8.325 1.872 -0.422) 8.543 7.329 ( -0.468 -0.192 0.454) 0.680 8.096 ( -5.153 -1.320 -0.075) 5.320 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 0.190 0.212 0.000) 0.285 2.521 ( -4.499 -5.304 0.005) 6.955 2.539 ( 2.981 3.633 -0.007) 4.700 2.616 ( -0.177 -0.223 0.001) 0.285 3.498 ( -6.900 10.699 0.062) 12.732 3.499 ( 7.683 -9.824 -0.062) 12.471 6.423 ( 0.531 0.682 0.054) 0.866 6.463 ( -2.901 -2.874 -0.113) 4.085 6.501 ( 3.001 2.884 0.060) 4.163 7.306 ( -0.501 -0.409 -0.003) 0.647 7.337 ( 0.513 0.436 0.002) 0.673 8.039 ( 0.051 0.057 -0.000) 0.077 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -6.431 -3.071 0.387) 7.137 2.436 ( -1.847 -1.344 -0.581) 2.357 2.589 ( 1.092 -1.786 0.714) 2.212 2.641 ( 1.378 3.437 0.391) 3.723 3.272 ( -10.550 -4.952 0.884) 11.688 3.689 ( 6.486 3.028 -1.241) 7.265 6.372 ( -5.426 -0.312 0.340) 5.446 6.420 ( -1.239 -0.276 0.188) 1.284 6.595 ( 5.076 0.913 -1.222) 5.301 7.224 ( -3.983 -7.725 -0.142) 8.693 7.333 ( -1.325 1.812 0.237) 2.257 8.098 ( 3.896 3.570 -0.108) 5.285 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -0.000 2.291 -2.802) 3.620 2.052 ( -0.000 1.214 -7.975) 8.067 2.401 ( 0.000 6.006 1.793) 6.268 2.573 ( 0.000 4.165 0.903) 4.262 2.953 ( 0.000 -4.644 4.777) 6.662 3.955 ( 0.000 10.288 0.945) 10.331 6.097 ( 0.000 6.281 0.251) 6.286 6.359 ( -0.000 5.527 -2.552) 6.088 6.454 ( -0.000 1.176 -0.167) 1.187 6.894 ( 0.000 -6.670 2.341) 7.069 7.431 ( -0.000 -5.309 -1.686) 5.571 8.434 ( -0.000 0.375 -1.384) 1.434 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 7.034 3.136 -0.042) 7.702 2.084 ( 3.895 1.336 -4.305) 5.957 2.495 ( 5.004 4.069 0.306) 6.456 2.609 ( -0.043 2.568 1.069) 2.781 2.910 ( -1.049 -4.731 3.933) 6.241 4.015 ( -2.683 6.335 -1.171) 6.978 6.189 ( 4.325 4.305 0.151) 6.104 6.379 ( -2.471 5.604 -1.496) 6.305 6.508 ( 3.517 2.004 -0.640) 4.098 6.849 ( 2.153 -6.944 1.988) 7.537 7.380 ( -0.529 -3.024 -1.320) 3.342 8.404 ( -3.529 0.543 -0.713) 3.641 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 7.894 -0.965 -3.398) 8.648 2.191 ( 7.049 5.641 3.168) 9.568 2.614 ( 1.145 0.577 -0.795) 1.509 2.664 ( 7.602 2.975 0.196) 8.165 2.857 ( -0.218 -4.781 3.823) 6.125 3.981 ( -5.800 2.718 -2.331) 6.816 6.300 ( 4.265 1.903 -0.165) 4.673 6.394 ( -0.987 4.100 -0.343) 4.231 6.572 ( 1.530 1.337 -0.125) 2.036 6.874 ( 7.929 -4.098 0.768) 8.959 7.349 ( -0.573 -0.855 -0.573) 1.178 8.324 ( -6.204 0.430 -0.239) 6.223 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 6.459 -1.271 -1.345) 6.719 2.358 ( 5.867 2.790 1.395) 6.645 2.608 ( -0.361 -1.079 -0.547) 1.263 2.722 ( -3.410 -0.421 -0.871) 3.545 2.965 ( 15.312 -1.654 3.017) 15.694 3.869 ( -8.433 0.977 -1.727) 8.664 6.363 ( 2.832 -0.546 -0.677) 2.963 6.408 ( -0.127 0.169 0.383) 0.438 6.586 ( -1.271 1.967 0.822) 2.482 7.039 ( 12.634 -0.385 -0.132) 12.640 7.337 ( -0.555 0.183 0.079) 0.590 8.208 ( -7.495 0.234 -0.031) 7.498 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 4.355 -3.941 -0.606) 5.905 2.443 ( 2.911 -1.654 0.084) 3.349 2.596 ( 0.265 0.719 -0.787) 1.099 2.643 ( -4.254 0.065 -0.489) 4.282 3.214 ( 14.566 -4.941 0.829) 15.404 3.727 ( -9.132 2.935 0.144) 9.593 6.378 ( 2.568 -4.958 -0.542) 5.610 6.415 ( 1.150 -0.388 -0.073) 1.216 6.585 ( -2.853 4.512 1.525) 5.552 7.236 ( 9.585 -0.563 -0.182) 9.603 7.319 ( -1.655 -1.162 0.152) 2.028 8.100 ( -5.244 1.676 0.070) 5.505 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 0.000 2.099 0.520) 2.163 2.076 ( 0.000 3.995 0.918) 4.099 2.478 ( -0.000 1.309 -0.473) 1.392 2.631 ( 0.000 1.007 0.794) 1.282 2.887 ( 0.000 -4.026 2.632) 4.810 4.078 ( -0.000 2.789 -2.747) 3.915 6.179 ( -0.000 2.035 0.015) 2.035 6.474 ( -0.000 0.721 -0.054) 0.723 6.477 ( -0.000 7.202 -0.882) 7.256 6.766 ( 0.000 -7.032 1.127) 7.122 7.361 ( -0.000 -0.983 -1.001) 1.404 8.438 ( -0.000 0.447 -0.328) 0.554 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 5.694 0.714 0.459) 5.757 2.168 ( 3.908 6.151 4.814) 8.734 2.523 ( 5.512 -0.881 -1.428) 5.762 2.634 ( 0.104 -0.523 0.804) 0.965 2.846 ( -1.286 -3.311 1.547) 3.875 4.054 ( -2.624 -0.821 -3.747) 4.648 6.228 ( 4.171 -0.309 -0.216) 4.188 6.452 ( -2.125 1.096 0.142) 2.395 6.563 ( 2.038 2.584 0.974) 3.432 6.740 ( 3.623 -2.474 -0.365) 4.403 7.355 ( -0.406 0.854 -0.499) 1.069 8.411 ( -3.481 0.338 -0.084) 3.498 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 6.317 -1.583 -0.165) 6.515 2.314 ( 4.234 3.914 3.756) 6.881 2.584 ( 1.698 -2.767 -2.275) 3.964 2.699 ( 9.265 1.171 1.138) 9.407 2.791 ( -1.178 -3.611 1.795) 4.201 3.963 ( -4.360 -2.895 -3.138) 6.102 6.282 ( 3.828 -3.339 -0.889) 5.156 6.418 ( -1.449 -2.061 0.591) 2.588 6.610 ( 1.795 1.167 1.594) 2.669 6.854 ( 8.726 3.123 -0.137) 9.269 7.358 ( -0.850 1.789 -0.177) 1.988 8.330 ( -6.253 0.219 -0.021) 6.257 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 5.148 -5.140 -1.011) 7.345 2.391 ( 2.540 -0.921 1.480) 3.080 2.572 ( 1.415 -1.800 -1.400) 2.684 2.709 ( -3.648 -0.554 -1.447) 3.963 2.937 ( 13.863 -1.969 2.834) 14.286 3.848 ( -4.801 -2.520 -1.139) 5.541 6.284 ( 2.329 -5.572 -1.278) 6.173 6.381 ( 0.552 -3.477 0.588) 3.569 6.657 ( 0.294 2.947 2.100) 3.630 7.058 ( 10.594 2.636 0.483) 10.928 7.350 ( -2.061 1.210 -0.312) 2.410 8.219 ( -6.745 0.949 0.045) 6.812 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 0.000 1.678 2.796) 3.261 2.218 ( 0.000 7.276 7.127) 10.185 2.445 ( -0.000 -3.826 -2.088) 4.358 2.624 ( 0.000 -1.651 0.684) 1.787 2.833 ( 0.000 -2.375 0.136) 2.379 4.033 ( -0.000 -5.019 -4.895) 7.011 6.177 ( -0.000 -2.291 -0.093) 2.293 6.475 ( -0.000 -0.592 -0.020) 0.592 6.534 ( 0.000 -5.123 1.502) 5.339 6.730 ( -0.000 6.866 -0.319) 6.874 7.375 ( -0.000 2.579 -0.380) 2.607 8.444 ( -0.000 0.320 -0.081) 0.330 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 2.687 0.174 2.343) 3.569 2.313 ( 1.207 2.701 4.289) 5.210 2.452 ( 6.315 -4.783 -1.782) 8.120 2.626 ( 1.861 0.509 3.633) 4.114 2.799 ( -1.424 -1.710 -1.231) 2.543 3.942 ( -1.057 -8.112 -4.613) 9.391 6.175 ( 3.315 -4.864 -0.469) 5.905 6.420 ( -2.481 -4.343 0.341) 5.013 6.538 ( 4.656 -3.021 0.363) 5.562 6.837 ( 2.256 9.367 1.720) 9.787 7.399 ( -0.805 3.701 -0.460) 3.815 8.417 ( -3.563 0.356 -0.238) 3.589 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 2.443 -4.089 -0.151) 4.766 2.333 ( 2.222 -4.183 0.858) 4.813 2.486 ( 4.482 -5.284 -2.308) 7.303 2.727 ( 0.616 -3.559 4.145) 5.498 2.785 ( 5.060 6.616 0.516) 8.345 3.829 ( -0.521 -9.085 -2.846) 9.535 6.172 ( 3.309 -6.967 -1.280) 7.819 6.343 ( -0.984 -4.910 0.510) 5.033 6.612 ( 5.716 -1.444 0.805) 5.951 6.991 ( 4.543 8.788 3.000) 10.337 7.410 ( -2.224 3.747 -0.937) 4.457 8.336 ( -5.998 0.712 -0.293) 6.047 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 0.000 0.636 2.774) 2.846 2.308 ( -0.000 -8.508 -2.299) 8.813 2.338 ( 0.000 -2.084 1.475) 2.553 2.649 ( 0.000 4.501 8.384) 9.516 2.792 ( -0.000 -0.590 -3.102) 3.158 3.829 ( -0.000 -12.752 -4.882) 13.655 6.089 ( 0.000 -6.548 -0.099) 6.549 6.403 ( -0.000 -6.556 -0.642) 6.588 6.458 ( 0.000 -0.985 -0.005) 0.985 6.925 ( 0.000 10.081 3.752) 10.757 7.449 ( -0.000 5.197 -0.854) 5.266 8.451 ( -0.000 0.734 -0.710) 1.021 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -1.058 -3.875 -1.016) 4.143 2.231 ( 1.854 -8.826 -0.287) 9.023 2.330 ( 5.137 -7.297 -1.969) 9.138 2.713 ( -0.196 -2.232 6.151) 6.546 2.819 ( 1.410 9.549 0.887) 9.693 3.686 ( 1.459 -15.500 -3.584) 15.976 6.040 ( 2.606 -8.358 -0.397) 8.764 6.323 ( -1.759 -4.347 -0.552) 4.722 6.498 ( 4.988 -1.435 -0.115) 5.191 7.048 ( 1.624 9.268 5.370) 10.834 7.488 ( -1.634 5.940 -1.547) 6.352 8.427 ( -3.576 1.209 -1.097) 3.931 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -0.000 -9.381 -6.134) 11.208 2.158 ( -0.000 -12.996 -5.646) 14.169 2.161 ( 0.000 -3.861 5.391) 6.631 2.694 ( 0.000 -4.778 1.981) 5.172 2.929 ( 0.000 12.610 5.213) 13.645 3.483 ( -0.000 -20.272 -2.421) 20.416 5.930 ( 0.000 -9.299 0.162) 9.300 6.303 ( -0.000 -2.676 -1.313) 2.981 6.443 ( -0.000 -0.397 -0.153) 0.425 7.136 ( 0.000 7.561 7.076) 10.355 7.564 ( -0.000 7.532 -2.175) 7.840 8.468 ( -0.000 1.889 -2.053) 2.790 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 0.000 -0.000 21.572) 21.572 0.613 ( 0.000 -0.000 21.572) 21.572 1.084 ( 0.000 -0.000 39.145) 39.145 2.077 ( -0.000 0.000 -5.150) 5.150 2.077 ( -0.000 0.000 -5.150) 5.150 3.948 ( -0.000 0.000 -14.175) 14.175 5.327 ( -0.000 0.000 -0.074) 0.074 5.327 ( -0.000 0.000 -0.074) 0.074 6.545 ( 0.000 -0.000 0.161) 0.161 6.545 ( 0.000 -0.000 0.161) 0.161 8.467 ( 0.000 -0.000 3.122) 3.122 8.742 ( -0.000 0.000 -1.433) 1.433 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 4.976 2.873 17.750) 18.657 0.845 ( 6.327 3.653 23.032) 24.163 1.432 ( 19.796 11.429 24.646) 33.614 2.088 ( 3.854 2.225 -5.071) 6.747 2.101 ( 2.002 1.156 -4.525) 5.081 3.641 ( -10.137 -5.853 -6.179) 13.237 5.364 ( 2.811 1.623 0.014) 3.246 6.143 ( 42.541 24.561 -28.501) 56.792 6.527 ( -1.346 -0.777 0.107) 1.558 6.528 ( -1.842 -1.063 -0.010) 2.127 8.422 ( -5.253 -3.033 3.756) 7.135 8.651 ( -5.923 -3.419 -0.102) 6.840 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 11.360 6.559 10.720) 16.941 1.049 ( 6.736 3.889 18.816) 20.360 1.947 ( 18.747 10.824 -0.991) 21.670 2.140 ( 2.556 1.476 -3.704) 4.736 2.253 ( 12.351 7.131 7.042) 15.906 3.490 ( -2.701 -1.559 -6.401) 7.120 5.454 ( 5.116 2.953 0.017) 5.907 6.451 ( -4.135 -2.387 -0.761) 4.835 6.490 ( -1.846 -1.066 0.080) 2.133 6.799 ( 23.391 13.505 -19.881) 33.537 8.252 ( -10.391 -5.999 5.072) 13.026 8.518 ( -5.590 -3.228 -2.172) 6.811 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 12.986 7.497 5.623) 16.014 1.268 ( 9.056 5.228 9.482) 14.115 2.194 ( 3.031 1.750 -2.646) 4.388 2.227 ( 10.432 6.023 -10.986) 16.303 2.661 ( 17.398 10.045 10.669) 22.747 3.466 ( 1.806 1.043 -2.663) 3.383 5.593 ( 7.128 4.115 0.025) 8.231 6.342 ( -4.903 -2.831 -0.603) 5.694 6.451 ( -1.489 -0.860 0.048) 1.720 7.154 ( 12.592 7.270 -11.593) 18.596 8.004 ( -12.655 -7.306 4.646) 15.333 8.390 ( -4.625 -2.670 -2.944) 6.098 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 11.830 6.830 2.077) 13.818 1.512 ( 10.896 6.291 2.268) 12.785 2.261 ( 3.396 1.961 -1.307) 4.133 2.408 ( 8.064 4.656 -6.974) 11.634 2.989 ( 8.946 5.165 3.358) 10.862 3.560 ( 6.398 3.694 2.417) 7.773 5.769 ( 8.207 4.739 0.089) 9.478 6.248 ( -2.831 -1.634 -0.408) 3.294 6.428 ( -0.494 -0.285 -0.007) 0.570 7.304 ( 3.362 1.941 -9.188) 9.974 7.721 ( -13.115 -7.572 4.115) 15.693 8.317 ( -0.919 -0.531 -1.320) 1.694 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 9.084 5.244 -0.523) 10.502 1.764 ( 11.076 6.395 -1.829) 12.920 2.337 ( 3.386 1.955 0.209) 3.915 2.548 ( 5.656 3.266 -4.016) 7.667 3.095 ( 0.672 0.388 0.840) 1.144 3.732 ( 6.960 4.018 3.978) 8.967 5.951 ( 7.615 4.396 0.161) 8.794 6.228 ( 1.381 0.797 -0.283) 1.620 6.429 ( 0.604 0.349 -0.053) 0.700 7.249 ( -6.047 -3.491 -8.480) 10.985 7.476 ( -8.381 -4.839 4.027) 10.482 8.335 ( 2.158 1.246 0.297) 2.509 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 6.010 3.470 -2.196) 7.279 1.992 ( 9.888 5.709 -4.427) 12.246 2.407 ( 2.342 1.352 1.493) 3.089 2.636 ( 2.850 1.646 -2.461) 4.110 3.056 ( -3.645 -2.105 -0.340) 4.223 3.873 ( 4.247 2.452 4.901) 6.933 6.099 ( 5.180 2.991 0.155) 5.983 6.311 ( 5.891 3.401 -0.393) 6.814 6.451 ( 1.163 0.671 -0.033) 1.343 7.025 ( -10.629 -6.137 -3.509) 12.765 7.366 ( -2.836 -1.637 1.089) 3.451 8.391 ( 2.274 1.313 0.524) 2.678 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 3.527 2.036 -2.859) 4.976 2.182 ( 8.221 4.747 -5.842) 11.147 2.440 ( -0.137 -0.079 2.171) 2.177 2.662 ( 0.071 0.041 -1.442) 1.444 2.955 ( -4.445 -2.566 -2.035) 5.521 3.948 ( 0.763 0.441 6.141) 6.204 6.178 ( 1.718 0.992 0.084) 1.985 6.473 ( 0.629 0.363 0.030) 0.727 6.481 ( 8.857 5.114 -1.030) 10.279 6.786 ( -9.608 -5.547 -0.255) 11.097 7.337 ( -0.101 -0.058 0.569) 0.581 8.430 ( 0.994 0.574 0.226) 1.170 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 1.621 0.936 -2.582) 3.189 2.322 ( 4.878 2.816 -3.747) 6.765 2.406 ( -3.537 -2.042 2.136) 4.609 2.650 ( 0.361 0.209 -2.184) 2.224 2.858 ( -3.446 -1.989 -2.837) 4.887 3.933 ( -3.974 -2.295 5.952) 7.515 6.176 ( -2.002 -1.156 0.041) 2.312 6.474 ( -0.492 -0.284 0.053) 0.570 6.547 ( -6.853 -3.957 0.144) 7.915 6.738 ( 9.246 5.338 -1.100) 10.733 7.363 ( 2.161 1.247 0.924) 2.660 8.440 ( -0.006 -0.003 0.389) 0.389 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( -0.654 -0.377 -0.625) 0.980 2.295 ( -6.396 -3.693 0.615) 7.412 2.330 ( -4.562 -2.634 2.952) 6.039 2.725 ( 7.736 4.467 -6.269) 10.914 2.779 ( -3.105 -1.793 -2.009) 4.110 3.789 ( -10.345 -5.973 4.177) 12.655 6.089 ( -5.636 -3.254 -0.015) 6.508 6.394 ( -5.938 -3.429 1.350) 6.989 6.457 ( -0.867 -0.501 0.071) 1.004 6.961 ( 9.976 5.759 -4.211) 12.265 7.438 ( 4.223 2.438 1.534) 5.112 8.443 ( 0.273 0.158 1.281) 1.319 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 0.000 13.488 16.277) 21.139 0.944 ( 0.000 13.636 16.632) 21.507 1.465 ( 0.000 15.261 29.969) 33.631 2.014 ( -0.000 -1.193 -6.590) 6.698 2.132 ( -0.000 6.641 -4.805) 8.197 3.619 ( -0.000 -12.068 -7.739) 14.337 5.345 ( -0.000 2.377 -0.075) 2.379 6.063 ( -0.000 45.905 -23.784) 51.700 6.520 ( -0.000 -2.268 -0.139) 2.272 6.538 ( 0.000 -1.080 0.158) 1.092 8.430 ( 0.000 -6.379 3.744) 7.396 8.665 ( -0.000 -4.609 -0.972) 4.711 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -0.289 17.842 10.412) 20.660 1.134 ( 0.461 11.760 19.830) 23.059 1.810 ( 10.338 14.519 6.772) 19.066 2.070 ( 8.697 3.133 -0.255) 9.248 2.204 ( 2.553 7.844 -1.446) 8.375 3.478 ( -1.977 -5.291 -7.614) 9.481 5.410 ( 3.643 3.676 0.005) 5.176 6.462 ( -0.196 -1.083 -2.197) 2.458 6.511 ( -1.163 -0.666 -0.502) 1.431 6.566 ( 15.250 23.040 -17.899) 32.921 8.320 ( -4.890 -9.558 4.435) 11.617 8.576 ( -4.822 -3.072 -2.151) 6.109 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 3.884 17.641 6.026) 19.042 1.304 ( 0.509 11.091 16.266) 19.694 2.034 ( 9.629 3.506 -8.681) 13.430 2.227 ( 1.937 9.208 -7.468) 12.013 2.510 ( 16.592 11.631 12.408) 23.760 3.422 ( 1.596 -1.381 -4.866) 5.304 5.533 ( 5.533 5.404 0.057) 7.734 6.377 ( -3.696 -4.341 -0.474) 5.721 6.477 ( -1.700 -0.283 -0.067) 1.725 6.969 ( 14.518 12.021 -12.594) 22.669 8.119 ( -8.765 -10.070 4.482) 14.082 8.445 ( -5.917 -2.657 -3.128) 7.201 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 6.176 15.363 1.451) 16.621 1.480 ( 3.165 11.116 10.434) 15.571 2.193 ( 7.315 2.631 -3.924) 8.708 2.337 ( 4.289 8.000 -7.392) 11.707 2.887 ( 11.678 7.848 4.808) 14.868 3.482 ( 6.145 1.809 0.086) 6.407 5.699 ( 6.817 6.867 0.153) 9.677 6.274 ( -3.298 -3.524 -0.284) 4.835 6.454 ( -1.454 1.149 -0.146) 1.860 7.205 ( 7.788 3.659 -8.889) 12.371 7.864 ( -11.353 -9.059 3.756) 15.002 8.331 ( -3.145 -2.039 -1.964) 4.231 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 5.764 9.617 5.162) 12.343 1.721 ( 5.634 13.380 -0.798) 14.540 2.311 ( 3.898 4.378 -1.330) 6.011 2.475 ( 5.805 5.135 -4.669) 9.048 3.068 ( 3.892 1.775 0.554) 4.313 3.645 ( 8.355 3.342 2.616) 9.371 5.889 ( 6.834 7.500 0.300) 10.151 6.214 ( -0.313 -1.427 -0.039) 1.462 6.452 ( -0.948 2.684 -0.229) 2.856 7.251 ( -0.324 -1.635 -8.518) 8.679 7.599 ( -10.981 -6.888 3.664) 13.471 8.301 ( 1.538 -1.111 0.119) 1.901 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 4.255 7.919 2.319) 9.284 1.928 ( 5.827 10.841 -3.445) 12.781 2.408 ( 2.080 5.214 0.387) 5.627 2.590 ( 4.116 2.895 -2.833) 5.775 3.082 ( -1.697 -1.712 -0.595) 2.483 3.811 ( 6.812 1.847 3.366) 7.820 6.065 ( 5.002 6.996 0.443) 8.612 6.244 ( 4.056 0.985 -0.033) 4.174 6.470 ( -0.511 3.662 -0.245) 3.706 7.122 ( -7.999 -4.389 -6.002) 10.921 7.416 ( -5.462 -3.348 2.486) 6.872 8.341 ( 3.644 -1.209 0.798) 3.922 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 1.724 6.140 -0.590) 6.405 2.110 ( 5.802 8.538 -4.652) 11.322 2.477 ( -0.413 4.798 1.653) 5.092 2.650 ( 1.432 1.137 -1.874) 2.619 2.996 ( -4.422 -3.083 -2.058) 5.770 3.925 ( 4.089 -0.161 4.973) 6.440 6.185 ( 1.647 5.431 0.406) 5.689 6.360 ( 7.191 1.934 -0.305) 7.453 6.504 ( 0.178 4.347 -0.263) 4.359 6.907 ( -10.168 -3.829 -1.963) 11.041 7.346 ( -1.420 -0.969 0.876) 1.930 8.387 ( 3.186 -2.004 0.433) 3.789 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 0.118 4.193 -1.886) 4.599 2.261 ( 4.991 6.126 -5.066) 9.386 2.489 ( -3.855 3.628 2.293) 5.769 2.655 ( -0.712 0.496 -1.494) 1.728 2.885 ( -3.819 -3.003 -2.779) 5.597 3.967 ( -0.141 -2.110 5.761) 6.137 6.224 ( -2.256 3.071 0.278) 3.821 6.455 ( 2.074 -1.043 -0.164) 2.327 6.586 ( 2.846 3.848 -1.520) 5.022 6.731 ( -5.511 1.443 0.629) 5.732 7.344 ( 1.112 0.400 0.645) 1.346 8.409 ( 2.102 -2.766 0.177) 3.478 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -0.935 1.650 -1.826) 2.633 2.337 ( -0.528 0.328 -1.374) 1.508 2.434 ( -6.549 2.669 2.178) 7.399 2.665 ( 2.076 4.104 -4.666) 6.551 2.798 ( -2.421 -2.764 -1.403) 3.933 3.899 ( -6.388 -4.265 4.904) 9.113 6.171 ( -5.768 0.141 0.350) 5.780 6.421 ( -2.798 -4.289 0.149) 5.123 6.539 ( -5.405 2.595 0.151) 5.997 6.855 ( 8.366 7.292 -2.434) 11.362 7.393 ( 3.427 1.096 0.935) 3.717 8.413 ( 1.854 -2.971 0.560) 3.546 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 0.000 18.460 9.733) 20.869 1.308 ( 0.000 14.955 10.176) 18.089 1.959 ( -0.000 -0.360 -6.144) 6.155 1.977 ( 0.000 22.481 13.828) 26.393 2.260 ( -0.000 8.308 -1.942) 8.532 3.415 ( -0.000 -5.161 -6.987) 8.686 5.422 ( 0.000 5.502 0.181) 5.505 6.445 ( -0.000 -3.525 -0.178) 3.530 6.508 ( 0.000 -1.862 -0.009) 1.862 6.629 ( -0.000 24.398 -15.851) 29.095 8.266 ( 0.000 -11.929 3.951) 12.567 8.582 ( -0.000 -2.905 -3.280) 4.382 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -1.238 17.722 3.332) 18.075 1.503 ( 0.157 15.070 13.718) 20.379 1.940 ( 2.360 3.403 -6.895) 8.043 2.260 ( 2.954 11.476 -10.758) 16.005 2.439 ( 10.077 14.807 14.081) 22.783 3.366 ( 1.071 -2.151 -3.999) 4.665 5.515 ( 3.507 6.949 0.323) 7.791 6.384 ( -2.309 -4.518 -0.219) 5.078 6.488 ( -0.310 -1.203 -0.241) 1.266 6.869 ( 8.146 14.704 -10.172) 19.648 8.124 ( -3.692 -12.444 3.575) 13.464 8.503 ( -4.510 -2.514 -4.091) 6.588 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 1.707 14.387 -0.875) 14.515 1.672 ( -2.139 16.273 13.779) 21.430 2.069 ( 9.004 4.851 -5.552) 11.638 2.346 ( 1.883 7.604 -9.329) 12.182 2.800 ( 10.450 11.449 5.657) 16.501 3.403 ( 4.653 1.506 0.588) 4.925 5.670 ( 5.586 8.430 0.460) 10.123 6.291 ( -3.190 -3.945 -0.272) 5.080 6.478 ( -0.204 0.609 -0.506) 0.818 7.086 ( 7.949 5.388 -6.467) 11.578 7.928 ( -6.581 -11.301 3.098) 13.439 8.378 ( -5.514 -2.092 -3.591) 6.904 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 3.706 11.668 0.212) 12.244 1.843 ( -0.551 16.007 8.044) 17.923 2.259 ( 7.722 6.097 -2.777) 10.223 2.437 ( 3.639 6.131 -5.802) 9.192 3.012 ( 5.320 3.504 0.058) 6.370 3.548 ( 7.531 4.072 2.686) 8.973 5.863 ( 6.337 9.413 0.619) 11.364 6.214 ( -1.794 -2.148 -0.085) 2.799 6.491 ( -0.140 2.765 -0.718) 2.860 7.189 ( 3.419 -0.553 -5.839) 6.789 7.706 ( -8.733 -8.841 2.613) 12.699 8.283 ( -1.963 -1.881 -1.447) 3.080 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 4.218 10.173 2.300) 11.250 1.998 ( 0.058 13.404 1.963) 13.547 2.422 ( 4.176 7.552 -0.673) 8.655 2.544 ( 4.106 4.226 -3.146) 6.680 3.074 ( 0.962 -0.748 -1.018) 1.587 3.714 ( 7.101 2.126 1.953) 7.666 6.060 ( 5.445 9.212 0.859) 10.735 6.201 ( 1.572 0.237 0.008) 1.590 6.519 ( -0.381 4.176 -0.791) 4.267 7.162 ( -2.628 -2.522 -5.724) 6.784 7.497 ( -7.698 -5.509 2.463) 9.782 8.267 ( 2.358 -2.564 0.311) 3.497 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 1.145 8.383 3.348) 9.099 2.128 ( 1.817 10.935 -2.886) 11.454 2.539 ( 0.950 6.888 1.177) 7.053 2.629 ( 2.483 3.013 -2.047) 4.409 3.032 ( -3.391 -1.901 -2.482) 4.612 3.839 ( 6.288 -0.980 2.862) 6.978 6.213 ( 2.793 6.523 1.155) 7.189 6.277 ( 5.222 3.209 -0.332) 6.138 6.549 ( -0.614 3.902 -0.724) 4.016 7.033 ( -8.035 -1.109 -3.230) 8.731 7.373 ( -3.167 -2.236 1.379) 4.115 8.295 ( 4.025 -3.814 0.529) 5.570 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -1.947 6.856 1.182) 7.224 2.253 ( 2.719 8.035 -3.642) 9.231 2.587 ( -1.691 3.120 2.076) 4.111 2.677 ( -0.099 3.880 -1.067) 4.025 2.927 ( -5.437 -1.207 -3.896) 6.797 3.921 ( 4.222 -3.103 4.145) 6.681 6.292 ( -0.457 4.395 0.692) 4.472 6.394 ( 4.418 1.747 -0.297) 4.760 6.579 ( 1.203 2.684 -0.902) 3.077 6.886 ( -8.895 3.571 -0.491) 9.598 7.339 ( -0.175 -0.231 0.472) 0.554 8.320 ( 3.754 -4.891 0.187) 6.169 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -3.616 4.239 -0.318) 5.581 2.343 ( 1.265 4.321 -2.806) 5.305 2.562 ( -3.964 0.598 2.673) 4.819 2.706 ( -0.972 5.686 -0.505) 5.790 2.818 ( -4.893 -0.503 -4.200) 6.468 3.932 ( -0.516 -4.340 3.923) 5.873 6.275 ( -4.915 1.363 0.782) 5.160 6.422 ( -0.980 -2.180 -0.338) 2.414 6.623 ( -0.020 2.248 -1.325) 2.609 6.855 ( -0.980 9.459 -0.218) 9.512 7.355 ( 1.856 0.252 0.384) 1.912 8.329 ( 3.263 -5.295 0.145) 6.221 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 0.000 16.909 3.600) 17.288 1.626 ( 0.000 13.335 0.777) 13.358 1.944 ( -0.000 1.838 -0.806) 2.007 2.305 ( -0.000 9.515 -14.304) 17.180 2.566 ( 0.000 19.352 14.033) 23.905 3.335 ( -0.000 -0.244 -0.434) 0.497 5.561 ( 0.000 8.384 0.514) 8.400 6.362 ( -0.000 -4.156 -0.367) 4.173 6.471 ( -0.000 -1.742 -0.246) 1.759 6.912 ( -0.000 11.426 -6.180) 12.990 8.035 ( 0.000 -13.243 2.551) 13.487 8.507 ( -0.000 -2.248 -4.868) 5.362 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -2.023 12.086 -4.467) 13.043 1.856 ( 4.774 14.459 5.354) 16.140 1.988 ( 2.543 4.828 -0.538) 5.484 2.354 ( 1.455 6.368 -11.549) 13.268 2.820 ( 4.184 14.441 6.588) 16.415 3.375 ( 2.316 4.068 3.898) 6.092 5.681 ( 3.518 9.468 0.634) 10.120 6.301 ( -2.290 -3.331 -0.642) 4.092 6.467 ( 1.173 -0.586 -0.545) 1.420 7.021 ( 4.043 4.978 -2.946) 7.058 7.892 ( -2.468 -12.587 1.770) 12.948 8.435 ( -4.168 -1.587 -4.705) 6.483 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 2.225 10.350 -3.695) 11.213 2.037 ( -1.458 12.419 8.623) 15.189 2.160 ( 10.511 7.861 -4.400) 13.843 2.421 ( 2.884 5.519 -6.880) 9.280 2.982 ( 2.683 4.667 1.283) 5.534 3.511 ( 4.395 7.670 4.596) 9.963 5.859 ( 5.628 10.203 0.727) 11.675 6.231 ( -2.432 -1.697 -0.603) 3.026 6.495 ( 1.813 1.518 -0.974) 2.558 7.106 ( 3.974 -0.500 -1.903) 4.434 7.724 ( -4.218 -10.723 1.312) 11.597 8.327 ( -5.150 -0.936 -3.260) 6.167 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 4.588 9.984 -0.621) 11.005 2.141 ( -0.705 9.544 3.665) 10.248 2.402 ( 7.665 9.726 -0.480) 12.393 2.514 ( 3.745 4.795 -3.743) 7.143 3.037 ( 1.910 -0.511 0.172) 1.984 3.657 ( 3.624 5.183 1.798) 6.575 6.061 ( 5.816 9.953 0.854) 11.560 6.196 ( -0.551 0.502 -0.362) 0.828 6.545 ( 1.452 3.073 -1.220) 3.611 7.133 ( 1.662 -2.271 -2.325) 3.650 7.554 ( -5.374 -7.756 1.163) 9.507 8.242 ( -2.445 -1.433 -1.172) 3.066 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 3.836 8.964 1.118) 9.814 2.226 ( -0.492 8.518 1.090) 8.601 2.566 ( 2.639 4.413 0.729) 5.193 2.625 ( 3.397 6.975 -1.428) 7.889 3.049 ( 0.118 -0.103 -1.412) 1.421 3.744 ( 3.638 -0.056 0.856) 3.738 6.217 ( 2.271 3.290 0.843) 4.086 6.250 ( 4.448 7.350 -0.084) 8.592 6.584 ( 0.041 2.308 -1.136) 2.573 7.114 ( -1.948 0.695 -2.321) 3.108 7.412 ( -4.271 -4.189 1.129) 6.088 8.208 ( 1.128 -3.389 0.058) 3.572 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 0.262 7.234 1.868) 7.475 2.302 ( 0.080 7.852 -0.906) 7.905 2.613 ( 0.308 0.784 0.161) 0.857 2.707 ( 0.699 2.144 0.881) 2.421 3.034 ( -4.540 6.363 -3.789) 8.686 3.802 ( 5.567 -4.468 2.113) 7.444 6.301 ( 3.443 3.328 0.426) 4.808 6.373 ( 2.166 4.841 0.116) 5.304 6.583 ( -0.422 -0.244 -0.802) 0.939 7.071 ( -6.263 6.243 -0.871) 8.886 7.345 ( -1.033 -1.110 0.402) 1.569 8.204 ( 3.247 -5.496 0.193) 6.387 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -4.231 5.468 1.225) 7.021 2.370 ( 0.274 5.478 -1.424) 5.667 2.601 ( -1.313 -0.916 0.941) 1.858 2.714 ( 0.946 -2.632 0.826) 2.916 2.996 ( -8.882 11.163 -3.808) 14.765 3.851 ( 4.995 -6.004 2.342) 8.153 6.357 ( -2.145 2.043 0.681) 3.039 6.411 ( 0.333 0.081 -0.375) 0.508 6.595 ( 2.923 0.120 -1.004) 3.093 7.038 ( -6.728 10.568 0.175) 12.529 7.338 ( 0.369 -0.174 -0.101) 0.421 8.208 ( 3.996 -6.324 0.047) 7.481 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -0.000 6.435 -8.720) 10.838 1.878 ( -0.000 11.141 -5.789) 12.556 2.065 ( 0.000 8.060 6.882) 10.598 2.368 ( -0.000 5.944 -8.693) 10.531 2.938 ( 0.000 10.174 5.006) 11.339 3.436 ( 0.000 9.414 6.887) 11.664 5.747 ( 0.000 9.983 0.675) 10.006 6.294 ( -0.000 -1.990 -1.381) 2.422 6.443 ( -0.000 -0.831 -0.398) 0.921 7.021 ( 0.000 2.017 0.048) 2.018 7.791 ( 0.000 -12.315 0.464) 12.324 8.445 ( -0.000 -0.933 -4.783) 4.873 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 0.872 6.847 -6.248) 9.310 2.028 ( 8.133 5.131 -9.601) 13.589 2.178 ( 1.383 10.514 6.328) 12.349 2.422 ( 1.375 6.064 -3.710) 7.241 3.011 ( -0.234 2.634 3.433) 4.334 3.580 ( 1.108 12.336 5.715) 13.641 5.880 ( 3.711 10.092 0.650) 10.772 6.257 ( -2.052 -0.317 -1.600) 2.622 6.461 ( 2.547 0.423 -0.712) 2.678 7.044 ( 1.982 -1.723 1.505) 3.027 7.663 ( -1.449 -10.880 -0.338) 10.982 8.393 ( -3.805 -0.098 -3.820) 5.393 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 4.974 8.001 -2.073) 9.647 2.160 ( 5.916 2.505 -5.751) 8.622 2.376 ( 7.151 11.311 2.268) 13.573 2.501 ( 2.010 5.010 -1.096) 5.508 3.017 ( -0.216 -1.732 3.133) 3.586 3.711 ( -0.385 9.596 2.040) 9.818 6.062 ( 5.651 9.638 0.622) 11.189 6.224 ( -1.731 1.643 -1.286) 2.711 6.523 ( 3.343 1.795 -1.109) 3.954 7.060 ( 2.789 -3.748 1.429) 4.886 7.534 ( -2.222 -8.595 -0.512) 8.892 8.305 ( -5.312 0.320 -2.209) 5.762 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 5.601 7.985 0.196) 9.755 2.260 ( 4.087 3.522 -2.068) 5.778 2.567 ( 1.624 3.605 1.051) 4.091 2.614 ( 6.722 8.348 -1.031) 10.767 3.013 ( 2.244 -2.261 2.515) 4.059 3.756 ( -2.545 4.356 -0.491) 5.069 6.225 ( 1.115 3.801 0.014) 3.961 6.250 ( 4.040 7.539 -0.145) 8.554 6.583 ( 1.679 1.181 -1.061) 2.311 7.089 ( 3.827 -1.591 0.485) 4.173 7.423 ( -2.413 -5.562 -0.156) 6.065 8.216 ( -4.374 -0.655 -0.772) 4.490 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 3.574 6.366 0.325) 7.308 2.355 ( 2.417 5.006 -0.164) 5.561 2.612 ( 0.836 1.182 0.108) 1.452 2.711 ( -0.389 -0.228 0.275) 0.528 3.107 ( 5.250 6.789 0.093) 8.583 3.723 ( -1.867 -1.996 -0.298) 2.749 6.286 ( 2.290 4.200 -0.069) 4.784 6.381 ( 2.943 5.050 0.257) 5.851 6.583 ( -0.922 -1.602 -0.564) 1.933 7.162 ( 2.622 4.118 -0.264) 4.889 7.351 ( -1.418 -2.293 0.201) 2.704 8.142 ( -1.905 -3.111 -0.078) 3.649 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 0.224 4.329 0.170) 4.338 2.432 ( -0.098 5.908 0.523) 5.932 2.614 ( -1.379 -0.694 0.089) 1.546 2.661 ( 0.213 -5.346 0.108) 5.351 3.239 ( -3.794 13.953 -1.690) 14.558 3.687 ( 4.550 -8.179 1.072) 9.421 6.373 ( 2.590 3.771 0.110) 4.576 6.438 ( -1.160 2.135 0.001) 2.430 6.543 ( 0.695 -3.092 -0.327) 3.186 7.224 ( -2.642 7.869 0.291) 8.306 7.332 ( 0.172 -0.278 -0.353) 0.481 8.096 ( 1.446 -5.062 0.038) 5.265 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -0.000 4.161 -5.801) 7.139 1.968 ( -0.000 4.648 -11.307) 12.225 2.267 ( 0.000 8.205 4.055) 9.152 2.469 ( -0.000 6.526 -0.313) 6.534 3.035 ( 0.000 -1.120 4.265) 4.410 3.721 ( 0.000 13.570 4.241) 14.217 5.943 ( 0.000 9.271 0.517) 9.285 6.278 ( -0.000 1.719 -2.429) 2.976 6.436 ( -0.000 0.412 -0.341) 0.535 7.009 ( 0.000 -3.790 3.294) 5.022 7.571 ( -0.000 -9.555 -1.489) 9.670 8.418 ( -0.000 0.488 -3.280) 3.316 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 4.551 5.511 -2.085) 7.446 2.032 ( 6.176 2.268 -9.289) 11.383 2.383 ( 3.865 7.526 2.228) 8.749 2.535 ( 0.440 5.362 1.044) 5.480 3.015 ( -0.898 -3.680 4.323) 5.748 3.841 ( -1.516 10.927 1.226) 11.099 6.066 ( 4.068 8.182 0.355) 9.144 6.277 ( -1.965 3.524 -2.111) 4.553 6.475 ( 3.307 1.290 -0.600) 3.600 6.985 ( 1.438 -5.648 3.459) 6.778 7.475 ( -0.766 -7.339 -1.768) 7.588 8.385 ( -3.571 0.957 -2.141) 4.272 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 6.476 6.993 0.985) 9.582 2.151 ( 8.567 0.881 -5.640) 10.294 2.556 ( 7.117 5.904 -0.744) 9.277 2.592 ( 1.116 4.057 2.006) 4.661 2.970 ( -0.287 -4.887 4.358) 6.555 3.878 ( -4.420 6.832 -1.341) 8.247 6.223 ( 4.948 5.984 0.103) 7.766 6.285 ( -0.844 5.497 -1.166) 5.682 6.548 ( 3.292 1.256 -0.664) 3.585 6.981 ( 4.350 -5.511 2.421) 7.426 7.397 ( -0.975 -4.596 -1.245) 4.861 8.309 ( -5.782 0.916 -1.003) 5.940 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 5.357 4.479 -0.550) 7.004 2.301 ( 7.452 2.675 -0.856) 7.963 2.612 ( 0.333 0.873 0.260) 0.970 2.715 ( 1.574 1.919 -0.868) 2.630 2.999 ( 8.816 -1.108 4.099) 9.785 3.820 ( -7.273 3.022 -2.054) 8.139 6.305 ( 0.902 4.583 -0.456) 4.693 6.373 ( 3.159 4.204 0.099) 5.260 6.580 ( -0.054 -0.589 -0.098) 0.600 7.064 ( 9.046 -1.689 0.732) 9.231 7.349 ( -0.736 -1.767 -0.339) 1.943 8.206 ( -6.512 -0.057 -0.302) 6.519 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -0.000 3.637 -1.686) 4.009 1.994 ( -0.000 4.145 -5.023) 6.512 2.414 ( 0.000 5.061 1.005) 5.160 2.583 ( 0.000 4.190 1.386) 4.413 2.993 ( 0.000 -5.005 4.096) 6.468 3.956 ( -0.000 8.809 -0.805) 8.846 6.099 ( 0.000 6.162 0.177) 6.165 6.337 ( -0.000 5.772 -2.246) 6.193 6.452 ( -0.000 1.249 -0.148) 1.257 6.920 ( 0.000 -7.271 3.472) 8.057 7.414 ( -0.000 -5.092 -1.988) 5.466 8.421 ( -0.000 1.076 -1.467) 1.819 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 7.454 2.849 -0.598) 8.002 2.062 ( 3.451 5.373 -0.315) 6.393 2.495 ( 4.696 3.328 -0.365) 5.767 2.620 ( 0.086 2.375 1.413) 2.764 2.944 ( -0.887 -5.407 3.647) 6.582 3.997 ( -2.709 5.342 -2.831) 6.625 6.190 ( 4.304 4.190 -0.049) 6.007 6.367 ( -2.259 6.258 -1.075) 6.740 6.504 ( 3.413 2.081 -0.294) 4.009 6.868 ( 2.008 -7.857 2.293) 8.428 7.368 ( -0.375 -2.614 -1.410) 2.994 8.398 ( -3.467 1.012 -0.712) 3.681 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 7.549 0.459 -2.320) 7.911 2.221 ( 6.483 6.209 3.534) 9.647 2.603 ( 2.672 0.394 -1.556) 3.117 2.669 ( 5.100 2.350 0.794) 5.671 2.892 ( 0.788 -5.334 4.037) 6.736 3.955 ( -5.438 2.431 -3.466) 6.892 6.297 ( 4.154 1.763 -0.486) 4.539 6.393 ( -0.792 4.523 -0.010) 4.592 6.573 ( 1.595 1.942 0.425) 2.548 6.881 ( 7.710 -4.974 0.683) 9.201 7.344 ( -0.342 -0.531 -0.572) 0.852 8.322 ( -6.161 0.643 -0.226) 6.199 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 0.000 3.029 1.497) 3.379 2.095 ( 0.000 6.760 3.357) 7.548 2.470 ( -0.000 0.683 -1.163) 1.349 2.639 ( 0.000 0.701 1.071) 1.280 2.911 ( 0.000 -4.967 2.743) 5.674 4.046 ( -0.000 2.017 -4.504) 4.936 6.179 ( -0.000 1.989 -0.025) 1.989 6.473 ( -0.000 8.416 -0.200) 8.418 6.474 ( -0.000 0.738 -0.055) 0.740 6.775 ( 0.000 -8.328 0.931) 8.380 7.352 ( -0.000 -0.544 -1.043) 1.176 8.435 ( -0.000 0.747 -0.332) 0.817 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 4.540 1.613 1.298) 4.989 2.214 ( 3.565 7.358 5.405) 9.801 2.508 ( 5.291 -1.263 -1.965) 5.784 2.643 ( 0.466 -0.551 1.203) 1.403 2.863 ( -1.033 -4.406 2.237) 5.048 4.015 ( -2.242 -1.083 -5.091) 5.667 6.226 ( 3.988 -0.398 -0.271) 4.017 6.453 ( -2.041 1.311 0.169) 2.432 6.574 ( 1.990 3.676 1.334) 4.388 6.736 ( 3.795 -3.445 -0.520) 5.152 7.350 ( -0.314 1.102 -0.629) 1.306 8.410 ( -3.467 0.426 -0.136) 3.495 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 0.000 2.032 2.946) 3.579 2.278 ( 0.000 7.529 6.179) 9.740 2.426 ( -0.000 -4.134 -2.315) 4.738 2.634 ( 0.000 -0.955 1.499) 1.777 2.839 ( 0.000 -3.610 1.380) 3.865 3.985 ( -0.000 -4.980 -5.857) 7.688 6.176 ( -0.000 -2.316 -0.073) 2.317 6.475 ( -0.000 -0.573 -0.040) 0.574 6.545 ( 0.000 -6.368 0.746) 6.411 6.731 ( 0.000 8.695 0.417) 8.705 7.370 ( -0.000 2.640 -0.710) 2.734 8.443 ( -0.000 0.217 -0.255) 0.334 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 0.000 -0.000 19.488) 19.488 0.794 ( 0.000 -0.000 19.488) 19.488 1.418 ( 0.000 -0.000 36.481) 36.481 2.026 ( -0.000 0.000 -6.342) 6.342 2.026 ( -0.000 0.000 -6.342) 6.342 3.808 ( -0.000 0.000 -17.245) 17.245 5.327 ( -0.000 0.000 -0.074) 0.074 5.327 ( -0.000 0.000 -0.074) 0.074 6.547 ( 0.000 -0.000 0.167) 0.167 6.547 ( 0.000 -0.000 0.167) 0.167 8.497 ( 0.000 -0.000 3.651) 3.651 8.727 ( -0.000 0.000 -1.911) 1.911 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 2.836 1.638 17.884) 18.182 1.038 ( 8.035 4.639 20.528) 22.528 1.633 ( 9.906 5.719 19.682) 22.764 2.054 ( 6.535 3.773 -1.458) 7.686 2.055 ( 2.437 1.407 -5.867) 6.507 3.566 ( -9.044 -5.222 -10.563) 14.854 5.363 ( 2.816 1.626 -0.177) 3.256 5.942 ( 38.442 22.194 -17.778) 47.817 6.527 ( -1.996 -1.153 -0.087) 2.307 6.529 ( -1.356 -0.783 0.209) 1.580 8.456 ( -4.836 -2.792 4.021) 6.881 8.643 ( -5.882 -3.396 -1.470) 6.949 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 8.831 5.098 13.012) 16.531 1.229 ( 3.715 2.145 21.601) 22.023 1.895 ( 11.841 6.836 -9.471) 16.632 2.101 ( 3.098 1.789 -5.140) 6.262 2.344 ( 16.164 9.332 12.195) 22.295 3.424 ( -1.536 -0.887 -8.287) 8.474 5.452 ( 5.136 2.965 -0.307) 5.939 6.443 ( -3.309 -1.911 -1.207) 4.007 6.491 ( -1.867 -1.078 0.257) 2.171 6.642 ( 25.376 14.651 -15.342) 33.075 8.296 ( -10.275 -5.932 4.692) 12.758 8.498 ( -6.048 -3.492 -2.269) 7.342 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 10.970 6.333 8.304) 15.146 1.371 ( 5.094 2.941 13.535) 14.758 2.134 ( 11.763 6.791 -10.118) 16.937 2.164 ( 3.696 2.134 -4.103) 5.920 2.745 ( 14.834 8.564 8.035) 18.920 3.435 ( 4.014 2.318 -4.150) 6.222 5.592 ( 7.191 4.151 -0.340) 8.310 6.338 ( -4.818 -2.781 -0.268) 5.569 6.452 ( -1.532 -0.884 0.261) 1.788 7.054 ( 14.139 8.163 -10.825) 19.589 8.041 ( -12.938 -7.470 3.749) 15.403 8.371 ( -4.321 -2.495 -1.298) 5.156 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 10.240 5.912 4.478) 12.644 1.553 ( 8.188 4.727 6.777) 11.633 2.243 ( 4.180 2.413 -2.672) 5.517 2.352 ( 9.354 5.401 -5.739) 12.231 3.013 ( 7.346 4.241 1.898) 8.693 3.571 ( 7.940 4.584 0.032) 9.169 5.768 ( 8.297 4.790 -0.232) 9.584 6.247 ( -2.778 -1.604 0.260) 3.219 6.429 ( -0.551 -0.318 0.195) 0.665 7.221 ( 3.501 2.021 -9.375) 10.209 7.753 ( -12.931 -7.465 3.192) 15.268 8.315 ( -0.426 -0.246 0.844) 0.977 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 7.872 4.545 1.358) 9.191 1.766 ( 9.115 5.263 2.324) 10.779 2.334 ( 4.171 2.408 -0.924) 4.904 2.516 ( 6.292 3.633 -3.342) 7.998 3.098 ( 0.330 0.191 -0.316) 0.495 3.757 ( 7.688 4.439 1.805) 9.059 5.952 ( 7.683 4.436 -0.063) 8.872 6.230 ( 1.304 0.753 0.634) 1.634 6.429 ( 0.563 0.325 0.095) 0.657 7.175 ( -4.803 -2.773 -8.248) 9.940 7.508 ( -8.897 -5.137 3.332) 10.800 8.344 ( 2.129 1.229 1.637) 2.953 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 5.260 3.037 -0.943) 6.146 1.965 ( 8.345 4.818 -1.648) 9.776 2.417 ( 2.915 1.683 0.683) 3.434 2.615 ( 3.230 1.865 -2.195) 4.328 3.046 ( -4.054 -2.340 -1.811) 5.019 3.912 ( 5.109 2.950 3.941) 7.095 6.100 ( 5.194 2.999 0.046) 5.998 6.311 ( 5.630 3.251 0.542) 6.524 6.451 ( 1.162 0.671 0.037) 1.342 6.991 ( -8.878 -5.126 -4.165) 11.065 7.379 ( -3.539 -2.043 1.770) 4.453 8.398 ( 1.992 1.150 1.019) 2.515 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 3.224 1.861 -2.317) 4.385 2.133 ( 7.520 4.342 -5.066) 10.053 2.457 ( 0.145 0.084 1.756) 1.764 2.649 ( 0.340 0.196 -1.317) 1.374 2.934 ( -4.643 -2.681 -2.569) 5.945 4.001 ( 1.163 0.672 5.734) 5.889 6.179 ( 1.707 0.986 0.060) 1.972 6.473 ( 0.641 0.370 0.047) 0.741 6.474 ( 8.192 4.730 -0.469) 9.471 6.782 ( -8.435 -4.870 -0.638) 9.761 7.343 ( -0.201 -0.116 0.890) 0.920 8.432 ( 0.860 0.497 0.301) 1.038 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.000 10.394 17.290) 20.173 1.079 ( 0.000 11.566 13.653) 17.894 1.711 ( 0.000 9.702 24.687) 26.525 1.955 ( -0.000 -1.167 -6.588) 6.691 2.093 ( -0.000 7.641 -3.408) 8.366 3.532 ( -0.000 -10.205 -11.529) 15.397 5.345 ( 0.000 2.422 0.117) 2.425 5.896 ( -0.000 41.429 -14.620) 43.933 6.519 ( 0.000 -2.544 0.001) 2.544 6.539 ( 0.000 -1.112 0.049) 1.114 8.464 ( 0.000 -6.143 3.986) 7.323 8.651 ( -0.000 -4.867 -2.119) 5.308 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -1.114 13.828 12.249) 18.507 1.302 ( 3.988 9.912 17.875) 20.825 1.815 ( 0.694 6.849 -4.204) 8.066 2.057 ( 6.236 4.890 -4.471) 9.099 2.242 ( 9.494 10.437 10.108) 17.356 3.403 ( -1.451 -3.943 -9.172) 10.088 5.410 ( 3.523 3.814 -0.006) 5.192 6.390 ( 15.094 24.741 -12.660) 31.626 6.479 ( 0.086 -0.989 -1.833) 2.085 6.516 ( -0.751 -0.444 -0.129) 0.882 8.359 ( -4.647 -9.619 4.304) 11.517 8.554 ( -4.837 -3.770 -2.834) 6.756 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 3.644 13.516 7.444) 15.855 1.458 ( -1.762 9.339 17.943) 20.305 1.954 ( 10.477 5.522 -9.377) 15.106 2.159 ( 2.592 7.378 -8.040) 11.216 2.609 ( 14.469 10.366 9.783) 20.310 3.375 ( 2.797 0.694 -5.517) 6.224 5.532 ( 5.435 5.630 -0.169) 7.827 6.375 ( -3.708 -4.240 -0.165) 5.635 6.477 ( -1.575 -0.462 -0.020) 1.642 6.869 ( 15.320 14.183 -9.966) 23.134 8.155 ( -8.871 -10.383 3.673) 14.141 8.420 ( -5.380 -3.117 -2.349) 6.646 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 6.047 11.137 3.288) 13.092 1.587 ( 0.208 11.737 12.988) 17.506 2.156 ( 8.828 3.500 -4.175) 10.374 2.274 ( 5.197 8.359 -6.824) 11.978 2.920 ( 9.799 5.976 2.626) 11.774 3.476 ( 7.317 3.738 -1.350) 8.326 5.699 ( 6.767 7.144 -0.169) 9.842 6.273 ( -3.191 -3.505 0.260) 4.747 6.453 ( -1.367 0.897 0.038) 1.635 7.130 ( 7.504 4.776 -8.006) 11.967 7.892 ( -11.423 -9.185 2.578) 14.883 8.322 ( -2.078 -2.320 -0.014) 3.114 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 6.607 9.545 1.511) 11.706 1.756 ( 1.723 11.481 8.164) 14.192 2.295 ( 4.750 4.837 -2.417) 7.197 2.438 ( 6.614 5.626 -3.740) 9.454 3.069 ( 3.581 1.150 -0.466) 3.789 3.658 ( 8.808 4.054 0.264) 9.700 5.890 ( 6.812 7.792 -0.030) 10.350 6.218 ( -0.242 -1.533 0.771) 1.733 6.451 ( -0.870 2.434 0.012) 2.584 7.179 ( -0.659 -0.820 -7.811) 7.881 7.627 ( -10.625 -6.952 2.639) 12.968 8.309 ( 2.039 -1.440 1.707) 3.024 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 1.066 9.673 2.419) 10.027 1.909 ( 5.915 8.058 1.029) 10.048 2.408 ( 2.840 5.703 -0.514) 6.392 2.567 ( 4.446 3.140 -2.428) 5.960 3.071 ( -1.989 -2.103 -1.932) 3.480 3.835 ( 7.781 2.258 1.929) 8.328 6.068 ( 4.946 7.303 0.157) 8.822 6.248 ( 3.974 0.693 0.920) 4.138 6.469 ( -0.430 3.468 0.003) 3.495 7.070 ( -6.698 -3.188 -5.801) 9.417 7.438 ( -6.029 -3.841 2.417) 7.546 8.351 ( 3.498 -1.564 1.515) 4.120 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -0.088 6.889 0.573) 6.913 2.076 ( 4.937 7.681 -3.000) 9.611 2.489 ( 0.035 5.199 1.039) 5.302 2.634 ( 1.733 1.238 -1.695) 2.722 2.974 ( -4.516 -3.403 -3.026) 6.413 3.966 ( 5.026 -0.035 4.177) 6.535 6.188 ( 1.503 5.657 0.245) 5.858 6.361 ( 6.946 1.623 0.416) 7.145 6.502 ( 0.165 4.102 -0.014) 4.105 6.888 ( -8.890 -2.971 -2.290) 9.649 7.356 ( -1.753 -1.278 1.264) 2.510 8.392 ( 2.945 -2.223 0.617) 3.741 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 0.000 15.018 12.298) 19.410 1.376 ( 0.000 12.586 4.852) 13.489 1.915 ( -0.000 0.572 -3.310) 3.359 2.017 ( -0.000 13.490 -5.136) 14.435 2.305 ( 0.000 12.616 12.018) 17.424 3.350 ( -0.000 -2.865 -7.425) 7.958 5.424 ( 0.000 5.574 0.462) 5.593 6.445 ( 0.000 -2.614 0.155) 2.619 6.507 ( -0.000 -1.918 -0.181) 1.927 6.511 ( -0.000 26.269 -11.015) 28.485 8.300 ( 0.000 -12.282 3.776) 12.850 8.550 ( -0.000 -3.629 -3.889) 5.320 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -2.156 13.738 3.283) 14.288 1.610 ( 5.082 12.417 10.192) 16.849 1.890 ( -0.453 5.214 -3.793) 6.463 2.155 ( 3.528 8.998 -12.612) 15.889 2.558 ( 8.165 13.982 12.412) 20.402 3.331 ( 1.435 0.924 -3.686) 4.062 5.518 ( 3.398 7.093 0.423) 7.876 6.382 ( -2.329 -4.657 -0.181) 5.210 6.485 ( -0.343 -1.251 -0.394) 1.356 6.795 ( 8.309 17.369 -6.471) 20.312 8.153 ( -3.583 -13.014 3.140) 13.859 8.467 ( -4.161 -3.039 -4.159) 6.622 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 2.240 11.814 -0.254) 12.027 1.792 ( -2.152 14.348 13.154) 19.584 2.023 ( 9.695 5.679 -4.732) 12.191 2.261 ( 3.680 8.069 -9.521) 13.012 2.844 ( 7.889 9.036 4.046) 12.659 3.406 ( 4.924 4.389 0.173) 6.598 5.674 ( 5.491 8.663 0.272) 10.260 6.290 ( -3.042 -4.068 -0.076) 5.080 6.474 ( -0.153 0.380 -0.407) 0.578 7.039 ( 7.283 7.102 -4.242) 11.022 7.952 ( -6.568 -11.758 2.220) 13.650 8.350 ( -4.440 -2.455 -2.638) 5.718 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 4.914 10.984 0.070) 12.033 1.927 ( -2.336 13.863 10.376) 17.473 2.232 ( 8.498 6.598 -3.582) 11.340 2.389 ( 5.024 6.851 -4.829) 9.772 3.011 ( 4.631 2.868 -0.344) 5.458 3.563 ( 7.000 5.059 0.776) 8.672 5.866 ( 6.296 9.686 0.222) 11.555 6.216 ( -1.574 -2.331 0.370) 2.837 6.486 ( -0.034 2.443 -0.361) 2.470 7.144 ( 2.247 0.657 -4.465) 5.041 7.724 ( -8.556 -9.069 1.554) 12.565 8.276 ( -0.728 -2.321 -0.026) 2.433 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 5.077 10.226 0.566) 11.431 2.037 ( -2.264 11.449 6.369) 13.296 2.413 ( 4.880 8.628 -1.375) 10.007 2.518 ( 4.586 4.459 -2.622) 6.913 3.061 ( 0.532 -0.935 -1.796) 2.094 3.725 ( 7.391 2.396 0.572) 7.791 6.065 ( 5.483 9.547 0.300) 11.013 6.204 ( 1.642 -0.110 0.748) 1.808 6.515 ( -0.242 3.850 -0.226) 3.864 7.116 ( -3.062 -1.283 -4.664) 5.725 7.515 ( -7.433 -5.834 1.730) 9.606 8.273 ( 2.784 -3.046 1.185) 4.293 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 2.829 8.166 1.453) 8.763 2.115 ( -1.907 10.463 1.283) 10.712 2.548 ( 1.334 7.648 0.903) 7.816 2.610 ( 2.717 3.339 -2.137) 4.806 3.005 ( -3.791 -2.377 -3.563) 5.720 3.862 ( 7.263 -0.894 2.253) 7.657 6.220 ( 2.645 6.936 0.584) 7.446 6.278 ( 5.238 2.659 0.468) 5.893 6.545 ( -0.515 3.601 -0.075) 3.639 7.006 ( -7.286 0.062 -3.008) 7.882 7.385 ( -3.455 -2.713 1.386) 4.606 8.301 ( 3.915 -4.147 0.829) 5.764 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -0.000 10.145 -6.222) 11.902 1.633 ( 0.000 12.622 3.355) 13.061 1.963 ( 0.000 4.418 4.514) 6.316 2.176 ( -0.000 10.409 -14.523) 17.868 2.682 ( 0.000 16.003 11.848) 19.912 3.333 ( 0.000 3.466 0.130) 3.468 5.566 ( 0.000 8.419 0.743) 8.452 6.357 ( -0.000 -4.445 -0.718) 4.503 6.468 ( -0.000 -1.784 -0.401) 1.828 6.874 ( -0.000 13.776 -2.330) 13.971 8.056 ( 0.000 -14.001 2.140) 14.163 8.462 ( -0.000 -2.493 -5.112) 5.688 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -0.916 9.787 -5.594) 11.310 1.860 ( 10.070 9.503 -3.934) 14.393 2.019 ( -1.482 7.647 6.498) 10.143 2.259 ( 2.437 8.913 -9.170) 13.018 2.876 ( 2.283 11.475 5.646) 12.991 3.407 ( 2.076 7.023 3.485) 8.111 5.686 ( 3.458 9.517 0.659) 10.147 6.294 ( -2.074 -3.642 -0.915) 4.290 6.462 ( 1.064 -0.671 -0.560) 1.377 7.009 ( 3.506 6.538 0.237) 7.422 7.905 ( -2.290 -13.372 1.208) 13.620 8.394 ( -3.665 -1.522 -4.603) 6.078 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 3.862 10.097 -2.932) 11.201 2.081 ( 4.601 4.152 -2.857) 6.824 2.141 ( 6.117 13.269 3.748) 15.084 2.372 ( 3.432 7.517 -3.729) 9.066 2.995 ( 1.500 4.577 1.436) 5.026 3.544 ( 3.270 8.098 2.933) 9.213 5.864 ( 5.589 10.294 0.429) 11.721 6.226 ( -2.075 -1.997 -0.624) 2.946 6.488 ( 1.781 1.323 -0.631) 2.306 7.099 ( 2.731 0.614 0.344) 2.820 7.732 ( -3.939 -11.335 0.554) 12.013 8.301 ( -4.137 -0.865 -2.599) 4.962 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 5.517 10.143 -0.360) 11.552 2.167 ( 0.873 6.040 1.751) 6.349 2.399 ( 7.738 11.750 -0.175) 14.070 2.489 ( 3.540 5.299 -1.645) 6.581 3.039 ( 0.908 0.261 0.089) 0.949 3.668 ( 3.019 4.840 0.620) 5.738 6.066 ( 5.857 10.097 0.257) 11.675 6.194 ( -0.210 0.172 -0.074) 0.281 6.537 ( 1.523 2.824 -0.445) 3.239 7.119 ( 0.336 -1.188 -0.802) 1.472 7.560 ( -4.984 -8.142 0.394) 9.554 8.235 ( -1.526 -1.649 -0.417) 2.285 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 4.231 9.044 0.156) 9.986 2.241 ( -0.367 6.877 2.175) 7.222 2.571 ( 2.169 3.294 0.275) 3.953 2.614 ( 4.179 9.295 -0.841) 10.226 3.033 ( -1.401 0.294 -2.072) 2.518 3.751 ( 4.320 -0.300 0.731) 4.392 6.222 ( 2.369 2.542 0.474) 3.507 6.250 ( 4.569 7.877 0.032) 9.107 6.578 ( 0.134 2.109 -0.064) 2.114 7.097 ( -2.486 1.731 -1.455) 3.360 7.420 ( -4.024 -4.554 0.631) 6.110 8.210 ( 1.439 -3.696 0.452) 3.992 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -0.000 6.960 -8.706) 11.146 1.812 ( -0.000 7.672 -9.209) 11.986 2.123 ( 0.000 7.617 6.231) 9.841 2.310 ( -0.000 9.459 -4.316) 10.397 2.980 ( 0.000 8.338 4.238) 9.353 3.492 ( 0.000 10.547 5.592) 11.938 5.753 ( 0.000 9.924 0.744) 9.952 6.279 ( -0.000 -2.386 -1.736) 2.951 6.439 ( -0.000 -0.813 -0.464) 0.936 7.036 ( 0.000 2.984 3.325) 4.468 7.793 ( 0.000 -13.167 -0.100) 13.167 8.402 ( -0.000 -0.446 -4.860) 4.881 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 2.292 7.968 -5.104) 9.736 1.936 ( 8.926 4.490 -11.011) 14.869 2.229 ( 1.687 8.842 5.117) 10.354 2.404 ( 1.315 8.232 -0.474) 8.350 3.040 ( -0.693 2.959 2.818) 4.144 3.623 ( 0.348 11.369 4.010) 12.061 5.885 ( 3.673 10.023 0.520) 10.688 6.242 ( -1.712 -0.625 -1.744) 2.523 6.456 ( 2.381 0.403 -0.546) 2.476 7.069 ( 1.331 -1.211 4.154) 4.527 7.658 ( -1.188 -11.602 -0.950) 11.701 8.360 ( -3.386 0.537 -3.676) 5.026 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 5.885 9.002 -1.105) 10.812 2.100 ( 9.082 2.359 -7.367) 11.930 2.397 ( 5.932 10.008 2.245) 11.849 2.501 ( 1.563 6.021 1.126) 6.322 3.042 ( -0.770 -0.749 2.557) 2.773 3.724 ( -1.155 8.425 0.805) 8.542 6.065 ( 5.652 9.622 0.174) 11.161 6.213 ( -1.314 1.433 -1.158) 2.262 6.516 ( 3.291 1.724 -0.461) 3.744 7.081 ( 1.686 -3.359 3.200) 4.936 7.527 ( -1.767 -9.057 -1.085) 9.292 8.287 ( -4.703 0.727 -1.850) 5.106 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -0.000 5.814 -4.649) 7.444 1.875 ( -0.000 5.870 -9.570) 11.227 2.298 ( 0.000 6.972 3.086) 7.625 2.474 ( 0.000 7.463 1.239) 7.565 3.068 ( 0.000 -0.601 3.094) 3.151 3.750 ( 0.000 11.780 2.470) 12.036 5.947 ( 0.000 9.136 0.434) 9.146 6.257 ( -0.000 1.542 -2.260) 2.736 6.433 ( -0.000 0.492 -0.311) 0.582 7.049 ( 0.000 -3.952 5.571) 6.831 7.555 ( -0.000 -10.007 -2.058) 10.217 8.389 ( -0.000 1.344 -3.198) 3.469 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 5.802 7.055 -0.454) 9.146 1.958 ( 5.922 4.243 -7.372) 10.364 2.399 ( 3.650 6.350 1.415) 7.460 2.548 ( 0.460 5.574 1.837) 5.887 3.048 ( -0.918 -3.264 3.217) 4.674 3.845 ( -1.828 9.307 -0.339) 9.490 6.068 ( 4.021 8.061 0.118) 9.009 6.259 ( -1.645 3.609 -1.708) 4.319 6.471 ( 3.166 1.323 -0.301) 3.444 7.022 ( 1.029 -6.244 4.904) 8.006 7.458 ( -0.528 -7.383 -2.149) 7.708 8.367 ( -3.349 1.682 -1.978) 4.237 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -0.000 4.936 -0.396) 4.952 1.965 ( -0.000 7.098 -1.645) 7.286 2.419 ( 0.000 4.167 0.165) 4.170 2.597 ( 0.000 4.032 1.817) 4.423 3.024 ( 0.000 -4.993 3.081) 5.867 3.941 ( -0.000 7.280 -2.499) 7.697 6.100 ( -0.000 6.062 0.072) 6.062 6.320 ( -0.000 6.134 -1.496) 6.314 6.451 ( -0.000 1.308 -0.101) 1.312 6.954 ( 0.000 -8.507 4.107) 9.446 7.396 ( -0.000 -4.702 -2.040) 5.126 8.408 ( -0.000 1.752 -1.341) 2.207 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.000 -0.000 16.357) 16.357 0.953 ( 0.000 -0.000 16.357) 16.357 1.721 ( 0.000 -0.000 31.983) 31.983 1.967 ( -0.000 0.000 -6.764) 6.764 1.967 ( -0.000 0.000 -6.764) 6.764 3.649 ( -0.000 0.000 -18.369) 18.369 5.326 ( -0.000 0.000 -0.062) 0.062 5.326 ( -0.000 0.000 -0.062) 0.062 6.548 ( 0.000 -0.000 0.144) 0.144 6.548 ( 0.000 -0.000 0.144) 0.144 8.530 ( 0.000 -0.000 3.807) 3.807 8.708 ( -0.000 0.000 -2.313) 2.313 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 1.954 1.128 16.280) 16.436 1.200 ( 10.855 6.267 15.593) 20.006 1.750 ( -2.372 -1.369 6.119) 6.704 1.999 ( 2.716 1.568 -6.650) 7.352 2.088 ( 11.864 6.850 9.628) 16.744 3.462 ( -7.097 -4.097 -12.568) 15.004 5.361 ( 2.753 1.589 -0.336) 3.196 5.820 ( 34.203 19.747 -10.252) 40.803 6.526 ( -2.142 -1.237 -0.155) 2.479 6.531 ( -1.328 -0.767 0.273) 1.557 8.493 ( -4.536 -2.619 4.154) 6.685 8.626 ( -5.907 -3.411 -2.413) 7.235 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 7.088 4.092 13.533) 15.816 1.422 ( 2.124 1.226 21.904) 22.041 1.795 ( 9.703 5.602 -12.632) 16.885 2.051 ( 3.535 2.041 -6.221) 7.441 2.447 ( 15.677 9.051 10.342) 20.849 3.349 ( -0.167 -0.096 -8.492) 8.494 5.448 ( 5.118 2.955 -0.573) 5.937 6.429 ( 1.142 0.659 -2.030) 2.420 6.494 ( -1.860 -1.074 0.386) 2.182 6.533 ( 22.015 12.710 -9.272) 27.059 8.334 ( -10.550 -6.091 3.791) 12.758 8.479 ( -5.732 -3.309 -1.854) 6.873 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 9.206 5.315 9.981) 14.581 1.497 ( 2.057 1.187 14.275) 14.472 2.055 ( 13.479 7.782 -7.301) 17.191 2.122 ( 4.322 2.495 -5.389) 7.345 2.799 ( 12.672 7.316 3.900) 15.144 3.396 ( 5.797 3.347 -4.483) 8.056 5.587 ( 7.246 4.183 -0.638) 8.391 6.338 ( -4.640 -2.679 0.235) 5.363 6.455 ( -1.562 -0.902 0.422) 1.852 6.967 ( 14.709 8.492 -8.653) 19.061 8.067 ( -13.168 -7.602 2.069) 15.345 8.368 ( -3.655 -2.110 0.833) 4.301 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 8.618 4.976 6.466) 11.867 1.628 ( 6.051 3.494 9.951) 12.159 2.214 ( 5.010 2.892 -3.978) 7.021 2.310 ( 10.181 5.878 -3.553) 12.281 3.021 ( 6.452 3.725 -0.170) 7.452 3.561 ( 9.004 5.198 -2.129) 10.612 5.765 ( 8.405 4.853 -0.506) 9.718 6.253 ( -2.626 -1.516 1.003) 3.194 6.431 ( -0.612 -0.353 0.358) 0.792 7.142 ( 3.465 2.000 -8.263) 9.180 7.776 ( -12.613 -7.282 1.985) 14.699 8.331 ( -0.140 -0.081 2.785) 2.790 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 6.488 3.746 3.131) 8.120 1.804 ( 6.961 4.019 6.353) 10.245 2.321 ( 5.059 2.921 -2.031) 6.184 2.490 ( 6.608 3.815 -2.410) 8.001 3.089 ( -0.091 -0.053 -1.697) 1.700 3.763 ( 8.812 5.088 -0.405) 10.184 5.950 ( 7.789 4.497 -0.274) 8.998 6.240 ( 1.282 0.740 1.571) 2.159 6.431 ( 0.499 0.288 0.224) 0.618 7.106 ( -3.941 -2.275 -7.249) 8.559 7.534 ( -8.919 -5.149 2.664) 10.638 8.363 ( 1.769 1.022 2.636) 3.335 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 0.000 9.548 16.141) 18.753 1.178 ( 0.000 9.249 8.463) 12.537 1.858 ( 0.000 2.055 6.137) 6.472 1.903 ( -0.000 -0.572 -4.735) 4.770 2.107 ( 0.000 10.849 8.748) 13.937 3.424 ( -0.000 -7.685 -12.300) 14.504 5.347 ( 0.000 2.531 0.287) 2.547 5.797 ( -0.000 37.466 -8.278) 38.370 6.520 ( 0.000 -2.693 0.103) 2.695 6.539 ( -0.000 -1.179 -0.069) 1.181 8.500 ( 0.000 -5.963 4.046) 7.206 8.629 ( -0.000 -5.238 -2.900) 5.988 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -1.395 10.646 11.237) 15.542 1.441 ( 9.735 9.088 12.966) 18.587 1.765 ( -5.050 3.976 -5.726) 8.608 2.000 ( 4.513 3.489 -7.485) 9.411 2.347 ( 10.291 11.476 11.782) 19.401 3.323 ( -0.786 -2.169 -8.381) 8.693 5.410 ( 3.223 4.033 -0.009) 5.162 6.296 ( 16.992 28.578 -8.220) 34.249 6.472 ( -1.716 -3.653 -0.387) 4.054 6.515 ( -0.937 -0.936 0.007) 1.325 8.396 ( -4.653 -9.905 3.905) 11.620 8.527 ( -4.493 -4.114 -3.081) 6.826 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 3.701 9.565 7.874) 12.930 1.609 ( -3.197 7.381 15.446) 17.414 1.877 ( 12.229 8.164 -7.172) 16.359 2.087 ( 3.710 5.848 -8.049) 10.618 2.676 ( 11.941 9.410 5.107) 16.038 3.330 ( 3.631 2.639 -4.462) 6.329 5.530 ( 5.238 5.887 -0.347) 7.888 6.375 ( -3.644 -4.177 0.178) 5.546 6.477 ( -1.336 -0.645 0.067) 1.485 6.796 ( 15.145 15.583 -6.392) 22.651 8.181 ( -9.316 -10.535 2.026) 14.208 8.406 ( -4.150 -3.570 -0.711) 5.520 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 6.198 8.042 5.134) 11.378 1.702 ( -1.151 11.383 12.580) 17.005 2.121 ( 9.055 3.891 -4.010) 10.640 2.221 ( 6.925 8.562 -4.740) 11.989 2.931 ( 8.544 5.199 -0.248) 10.005 3.460 ( 7.631 5.165 -2.352) 9.510 5.697 ( 6.693 7.402 -0.429) 9.989 6.278 ( -2.947 -3.498 0.748) 4.634 6.454 ( -1.259 0.683 0.242) 1.452 7.067 ( 6.682 5.645 -6.074) 10.649 7.908 ( -11.379 -9.134 1.079) 14.632 8.331 ( -0.929 -2.789 2.034) 3.574 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 6.131 7.926 3.335) 10.561 1.840 ( -0.029 10.577 10.509) 14.910 2.268 ( 5.614 5.369 -3.697) 8.603 2.412 ( 7.054 5.684 -2.058) 9.290 3.060 ( 3.259 0.856 -1.701) 3.775 3.650 ( 9.248 4.954 -1.983) 10.677 5.889 ( 6.819 8.028 -0.313) 10.538 6.228 ( -0.036 -1.648 1.437) 2.187 6.452 ( -0.829 2.275 0.286) 2.438 7.116 ( -1.100 -0.044 -6.315) 6.410 7.646 ( -10.120 -6.930 1.710) 12.384 8.330 ( 2.250 -1.993 2.947) 4.209 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -0.000 9.777 -2.676) 10.137 1.423 ( 0.000 11.911 13.914) 18.316 1.907 ( 0.000 2.336 1.602) 2.832 1.925 ( -0.000 8.256 -14.017) 16.267 2.424 ( 0.000 14.113 12.830) 19.073 3.291 ( -0.000 -0.373 -5.605) 5.618 5.430 ( 0.000 5.666 0.669) 5.705 6.436 ( -0.000 26.869 -6.006) 27.532 6.448 ( 0.000 -1.574 0.621) 1.692 6.505 ( -0.000 -1.985 -0.327) 2.012 8.332 ( 0.000 -12.758 3.271) 13.171 8.515 ( -0.000 -4.170 -3.930) 5.730 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -1.066 9.588 -0.373) 9.655 1.677 ( 9.554 8.516 5.190) 13.811 1.877 ( -3.802 9.275 -0.384) 10.032 2.051 ( 4.765 7.432 -9.456) 12.936 2.650 ( 5.614 12.976 8.016) 16.252 3.306 ( 1.608 3.640 -1.893) 4.406 5.522 ( 3.155 7.244 0.470) 7.916 6.380 ( -2.182 -4.906 -0.288) 5.377 6.481 ( -0.291 -1.261 -0.392) 1.352 6.757 ( 7.912 19.298 -2.138) 20.967 8.177 ( -3.677 -13.501 2.148) 14.157 8.433 ( -3.435 -3.612 -3.394) 6.030 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 3.688 9.257 0.014) 9.965 1.893 ( 0.206 13.099 8.557) 15.648 1.985 ( 8.678 5.119 -3.976) 10.831 2.191 ( 5.169 9.038 -5.060) 11.576 2.869 ( 5.675 8.184 1.459) 10.066 3.407 ( 4.512 6.408 0.016) 7.837 5.675 ( 5.291 8.865 0.088) 10.325 6.289 ( -2.726 -4.268 -0.003) 5.065 6.472 ( -0.017 0.196 -0.159) 0.253 7.013 ( 6.027 8.516 -1.476) 10.537 7.966 ( -6.768 -11.957 0.825) 13.765 8.333 ( -2.906 -3.129 -0.986) 4.383 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 5.826 9.742 1.516) 11.452 2.017 ( -2.421 11.580 9.477) 15.158 2.192 ( 9.405 7.315 -5.644) 13.184 2.360 ( 5.688 7.269 -1.151) 9.301 3.005 ( 3.886 2.927 -0.973) 4.962 3.562 ( 6.260 6.014 -1.120) 8.752 5.867 ( 6.218 9.880 -0.123) 11.674 6.220 ( -1.177 -2.557 0.595) 2.877 6.485 ( 0.104 2.243 0.131) 2.249 7.112 ( 0.784 1.786 -2.557) 3.216 7.733 ( -8.304 -9.130 0.433) 12.349 8.282 ( 0.450 -3.083 1.429) 3.428 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -0.000 8.831 -9.617) 13.057 1.650 ( -0.000 6.493 -0.611) 6.522 2.013 ( 0.000 5.572 6.450) 8.524 2.063 ( -0.000 13.528 -10.016) 16.832 2.769 ( 0.000 13.798 7.464) 15.687 3.340 ( 0.000 6.345 1.452) 6.510 5.573 ( 0.000 8.429 0.851) 8.472 6.350 ( -0.000 -4.783 -0.908) 4.868 6.464 ( -0.000 -1.811 -0.494) 1.877 6.871 ( 0.000 15.573 1.769) 15.673 8.071 ( 0.000 -14.695 1.305) 14.753 8.419 ( -0.000 -2.875 -4.516) 5.353 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 1.229 8.887 -5.926) 10.752 1.800 ( 10.526 5.735 -9.300) 15.172 2.078 ( -1.243 8.632 6.040) 10.608 2.206 ( 3.162 11.254 -2.135) 11.883 2.916 ( 0.904 9.960 3.240) 10.512 3.436 ( 1.527 8.820 3.000) 9.441 5.692 ( 3.293 9.527 0.594) 10.097 6.286 ( -1.785 -3.993 -0.991) 4.485 6.457 ( 1.075 -0.726 -0.437) 1.369 7.025 ( 2.632 7.795 3.382) 8.895 7.912 ( -2.209 -14.034 0.270) 14.209 8.357 ( -2.904 -1.704 -3.687) 4.993 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -0.000 8.257 -7.902) 11.429 1.721 ( -0.000 6.124 -10.914) 12.515 2.174 ( 0.000 6.750 5.188) 8.514 2.293 ( 0.000 11.549 0.228) 11.551 3.010 ( 0.000 7.385 2.386) 7.761 3.534 ( 0.000 10.887 4.008) 11.601 5.760 ( 0.000 9.827 0.686) 9.851 6.264 ( -0.000 -2.752 -1.580) 3.173 6.435 ( -0.000 -0.769 -0.452) 0.892 7.078 ( 0.000 3.658 6.168) 7.171 7.788 ( -0.000 -13.956 -0.906) 13.986 8.362 ( -0.000 -0.159 -4.181) 4.184 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 0.000 -0.000 11.531) 11.531 1.077 ( 0.000 -0.000 11.531) 11.531 1.911 ( -0.000 0.000 -5.693) 5.693 1.911 ( -0.000 0.000 -5.693) 5.693 1.971 ( 0.000 -0.000 23.880) 23.880 3.495 ( -0.000 0.000 -15.769) 15.769 5.326 ( -0.000 0.000 -0.041) 0.041 5.326 ( -0.000 0.000 -0.041) 0.041 6.549 ( 0.000 -0.000 0.097) 0.097 6.549 ( 0.000 -0.000 0.097) 0.097 8.562 ( 0.000 -0.000 3.424) 3.424 8.687 ( -0.000 0.000 -2.421) 2.421 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 2.119 1.224 12.921) 13.151 1.302 ( 13.024 7.519 6.790) 16.500 1.769 ( -7.109 -4.104 0.779) 8.246 1.941 ( 2.651 1.531 -6.301) 7.005 2.194 ( 11.452 6.612 11.716) 17.667 3.358 ( -5.191 -2.997 -10.146) 11.784 5.358 ( 2.635 1.521 -0.435) 3.074 5.755 ( 31.273 18.056 -4.836) 36.434 6.525 ( -2.269 -1.310 -0.199) 2.627 6.533 ( -1.267 -0.732 0.288) 1.492 8.529 ( -4.100 -2.367 4.009) 6.203 8.602 ( -6.164 -3.559 -3.004) 7.726 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 6.305 3.640 12.324) 14.314 1.608 ( -0.922 -0.532 19.085) 19.115 1.679 ( 12.416 7.168 -12.570) 19.067 1.994 ( 3.704 2.139 -6.561) 7.832 2.513 ( 13.911 8.032 3.992) 16.552 3.284 ( 0.969 0.559 -5.486) 5.599 5.443 ( 5.066 2.925 -0.734) 5.895 6.409 ( 12.638 7.297 -2.007) 14.731 6.478 ( 10.595 6.117 -3.729) 12.790 6.498 ( -1.829 -1.056 0.442) 2.157 8.358 ( -11.352 -6.554 1.359) 13.178 8.470 ( -4.609 -2.661 0.141) 5.324 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 7.984 4.610 10.520) 13.989 1.606 ( 1.439 0.831 9.440) 9.585 2.018 ( 14.304 8.258 -0.159) 16.518 2.070 ( 4.791 2.766 -6.326) 8.404 2.809 ( 11.505 6.642 -1.652) 13.387 3.361 ( 6.500 3.753 -3.328) 8.210 5.581 ( 7.284 4.205 -0.817) 8.451 6.342 ( -4.408 -2.545 0.715) 5.140 6.459 ( -1.575 -0.909 0.503) 1.886 6.904 ( 14.444 8.339 -5.542) 17.575 8.077 ( -13.126 -7.579 0.153) 15.158 8.385 ( -2.974 -1.717 3.006) 4.564 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.000 6.485 0.802) 6.534 1.230 ( 0.000 10.826 12.535) 16.563 1.845 ( -0.000 -2.211 -5.761) 6.171 1.878 ( -0.000 0.776 -0.573) 0.964 2.211 ( 0.000 10.611 10.867) 15.189 3.331 ( -0.000 -5.541 -7.916) 9.663 5.350 ( 0.000 2.689 0.408) 2.720 5.745 ( -0.000 35.114 -3.570) 35.295 6.521 ( 0.000 -2.748 0.174) 2.754 6.538 ( -0.000 -1.269 -0.176) 1.282 8.534 ( 0.000 -5.534 3.785) 6.705 8.601 ( -0.000 -5.907 -3.342) 6.787 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 0.666 7.423 5.270) 9.127 1.517 ( 12.253 11.657 3.861) 17.347 1.734 ( -6.145 0.698 -1.146) 6.290 1.942 ( 3.458 2.695 -4.416) 6.223 2.425 ( 8.079 11.622 5.023) 15.019 3.267 ( -0.311 -0.767 -3.644) 3.736 5.410 ( 2.798 4.299 -0.004) 5.130 6.247 ( 17.019 29.216 -2.730) 33.922 6.470 ( -2.135 -3.937 -0.101) 4.480 6.515 ( -0.784 -1.107 0.004) 1.356 8.424 ( -5.364 -10.514 2.165) 12.001 8.503 ( -3.354 -3.980 -1.899) 5.541 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 5.175 5.975 5.559) 9.664 1.698 ( -2.736 8.481 2.532) 9.265 1.854 ( 13.637 7.352 2.938) 15.769 2.027 ( 3.992 5.683 -4.110) 8.069 2.693 ( 9.714 9.585 -1.475) 13.726 3.303 ( 3.633 3.667 -1.435) 5.357 5.527 ( 4.977 6.141 -0.448) 7.917 6.377 ( -3.463 -4.238 0.356) 5.484 6.478 ( -1.082 -0.785 0.229) 1.356 6.758 ( 14.218 16.354 -2.274) 21.789 8.189 ( -9.816 -10.343 -0.278) 14.262 8.410 ( -2.625 -4.168 1.589) 5.176 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -0.000 7.743 -8.935) 11.823 1.549 ( 0.000 9.131 14.378) 17.033 1.783 ( -0.000 6.409 -17.903) 19.016 1.940 ( 0.000 3.802 5.346) 6.560 2.508 ( 0.000 14.509 5.391) 15.478 3.261 ( -0.000 1.227 -0.556) 1.347 5.436 ( 0.000 5.763 0.766) 5.814 6.404 ( -0.000 23.628 -1.289) 23.663 6.457 ( 0.000 2.660 1.445) 3.027 6.502 ( -0.000 -2.054 -0.420) 2.096 8.355 ( 0.000 -13.303 1.796) 13.424 8.484 ( -0.000 -4.486 -2.889) 5.336 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 0.000 -0.000 4.314) 4.314 1.149 ( 0.000 -0.000 4.314) 4.314 1.874 ( -0.000 0.000 -2.354) 2.354 1.874 ( -0.000 0.000 -2.354) 2.354 2.123 ( 0.000 -0.000 9.437) 9.437 3.391 ( -0.000 0.000 -6.744) 6.744 5.325 ( -0.000 0.000 -0.014) 0.014 5.325 ( -0.000 0.000 -0.014) 0.014 6.550 ( 0.000 -0.000 0.034) 0.034 6.550 ( 0.000 -0.000 0.034) 0.034 8.587 ( 0.000 -0.000 1.730) 1.730 8.669 ( -0.000 0.000 -1.377) 1.377 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 8.27e-07 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 3.383 1.953 7.195) 8.187 1.310 ( 11.929 6.887 -4.775) 14.578 1.792 ( -5.369 -3.100 4.889) 7.895 1.894 ( 1.968 1.136 -3.923) 4.534 2.257 ( 9.365 5.407 1.273) 10.888 3.301 ( -4.193 -2.421 -1.782) 5.159 5.354 ( 2.485 1.435 -0.460) 2.906 5.732 ( 29.999 17.320 -0.516) 34.644 6.523 ( -2.354 -1.359 -0.207) 2.726 6.536 ( -1.186 -0.685 0.254) 1.393 8.557 ( -2.765 -1.597 0.796) 3.291 8.579 ( -7.333 -4.234 -0.519) 8.484 =================== 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 3/40500 10.0 800.617 800.617 1829.874 -0.000 0.000 -0.000 3/40500 20.0 183.357 183.357 178.454 -0.000 0.000 -0.000 3/40500 30.0 89.924 89.924 67.966 -0.000 0.000 -0.000 3/40500 40.0 60.791 60.791 40.872 -0.000 0.000 -0.000 3/40500 50.0 45.210 45.210 28.932 -0.000 0.000 0.000 3/40500 60.0 35.152 35.152 22.084 -0.000 0.000 0.000 3/40500 70.0 28.306 28.306 17.682 -0.000 0.000 0.000 3/40500 80.0 23.495 23.495 14.667 -0.000 0.000 0.000 3/40500 90.0 20.004 20.004 12.503 -0.000 0.000 0.000 3/40500 100.0 17.390 17.390 10.888 -0.000 0.000 0.000 3/40500 110.0 15.375 15.375 9.644 -0.000 0.000 0.000 3/40500 120.0 13.782 13.782 8.659 -0.000 0.000 0.000 3/40500 130.0 12.494 12.494 7.860 -0.000 0.000 0.000 3/40500 140.0 11.432 11.432 7.200 -0.000 0.000 0.000 3/40500 150.0 10.541 10.541 6.646 -0.000 0.000 0.000 3/40500 160.0 9.784 9.784 6.173 -0.000 0.000 0.000 3/40500 170.0 9.131 9.131 5.766 -0.000 0.000 0.000 3/40500 180.0 8.564 8.564 5.410 -0.000 0.000 0.000 3/40500 190.0 8.065 8.065 5.097 -0.000 0.000 0.000 3/40500 200.0 7.623 7.623 4.820 -0.000 0.000 0.000 3/40500 210.0 7.228 7.228 4.572 -0.000 0.000 0.000 3/40500 220.0 6.874 6.874 4.349 -0.000 0.000 0.000 3/40500 230.0 6.554 6.554 4.147 -0.000 0.000 0.000 3/40500 240.0 6.263 6.263 3.964 -0.000 0.000 0.000 3/40500 250.0 5.998 5.998 3.796 -0.000 0.000 0.000 3/40500 260.0 5.755 5.755 3.643 -0.000 0.000 0.000 3/40500 270.0 5.531 5.531 3.502 -0.000 0.000 0.000 3/40500 280.0 5.325 5.325 3.371 -0.000 0.000 0.000 3/40500 290.0 5.133 5.133 3.250 -0.000 0.000 0.000 3/40500 300.0 4.956 4.956 3.138 -0.000 0.000 0.000 3/40500 310.0 4.790 4.790 3.033 -0.000 0.000 0.000 3/40500 320.0 4.635 4.635 2.935 -0.000 0.000 0.000 3/40500 330.0 4.491 4.491 2.844 -0.000 0.000 0.000 3/40500 340.0 4.355 4.355 2.758 -0.000 0.000 0.000 3/40500 350.0 4.227 4.227 2.677 -0.000 0.000 0.000 3/40500 360.0 4.107 4.107 2.601 -0.000 0.000 0.000 3/40500 370.0 3.993 3.993 2.529 -0.000 0.000 0.000 3/40500 380.0 3.886 3.886 2.461 -0.000 0.000 0.000 3/40500 390.0 3.784 3.784 2.396 -0.000 0.000 0.000 3/40500 400.0 3.688 3.688 2.335 -0.000 0.000 0.000 3/40500 410.0 3.596 3.596 2.277 -0.000 0.000 0.000 3/40500 420.0 3.509 3.509 2.222 -0.000 0.000 0.000 3/40500 430.0 3.427 3.427 2.170 -0.000 0.000 0.000 3/40500 440.0 3.348 3.348 2.120 -0.000 0.000 0.000 3/40500 450.0 3.272 3.272 2.072 -0.000 0.000 0.000 3/40500 460.0 3.200 3.200 2.026 -0.000 0.000 0.000 3/40500 470.0 3.131 3.131 1.983 -0.000 0.000 0.000 3/40500 480.0 3.065 3.065 1.941 -0.000 0.000 0.000 3/40500 490.0 3.002 3.002 1.901 -0.000 0.000 0.000 3/40500 500.0 2.941 2.941 1.862 -0.000 0.000 0.000 3/40500 510.0 2.883 2.883 1.826 -0.000 0.000 0.000 3/40500 520.0 2.827 2.827 1.790 -0.000 0.000 0.000 3/40500 530.0 2.774 2.774 1.756 -0.000 0.000 0.000 3/40500 540.0 2.722 2.722 1.723 -0.000 0.000 0.000 3/40500 550.0 2.672 2.672 1.692 -0.000 0.000 0.000 3/40500 560.0 2.624 2.624 1.661 -0.000 0.000 0.000 3/40500 570.0 2.578 2.578 1.632 -0.000 0.000 0.000 3/40500 580.0 2.533 2.533 1.603 -0.000 0.000 0.000 3/40500 590.0 2.490 2.490 1.576 -0.000 0.000 0.000 3/40500 600.0 2.448 2.448 1.550 -0.000 0.000 0.000 3/40500 610.0 2.408 2.408 1.524 -0.000 0.000 0.000 3/40500 620.0 2.369 2.369 1.499 -0.000 0.000 0.000 3/40500 630.0 2.331 2.331 1.475 -0.000 0.000 0.000 3/40500 640.0 2.294 2.294 1.452 -0.000 0.000 0.000 3/40500 650.0 2.259 2.259 1.430 -0.000 0.000 0.000 3/40500 660.0 2.225 2.225 1.408 -0.000 0.000 0.000 3/40500 670.0 2.191 2.191 1.387 -0.000 0.000 0.000 3/40500 680.0 2.159 2.159 1.366 -0.000 0.000 0.000 3/40500 690.0 2.128 2.128 1.347 -0.000 0.000 0.000 3/40500 700.0 2.097 2.097 1.327 -0.000 0.000 0.000 3/40500 710.0 2.068 2.068 1.308 -0.000 0.000 0.000 3/40500 720.0 2.039 2.039 1.290 -0.000 0.000 0.000 3/40500 730.0 2.011 2.011 1.273 -0.000 0.000 0.000 3/40500 740.0 1.984 1.984 1.255 -0.000 0.000 0.000 3/40500 750.0 1.957 1.957 1.238 -0.000 0.000 0.000 3/40500 760.0 1.931 1.931 1.222 -0.000 0.000 0.000 3/40500 770.0 1.906 1.906 1.206 -0.000 0.000 0.000 3/40500 780.0 1.882 1.882 1.191 -0.000 0.000 0.000 3/40500 790.0 1.858 1.858 1.176 -0.000 0.000 0.000 3/40500 800.0 1.835 1.835 1.161 -0.000 0.000 0.000 3/40500 810.0 1.812 1.812 1.146 -0.000 0.000 0.000 3/40500 820.0 1.790 1.790 1.132 -0.000 0.000 0.000 3/40500 830.0 1.768 1.768 1.119 -0.000 0.000 0.000 3/40500 840.0 1.747 1.747 1.105 -0.000 0.000 0.000 3/40500 850.0 1.727 1.727 1.092 -0.000 0.000 0.000 3/40500 860.0 1.706 1.706 1.080 -0.000 0.000 0.000 3/40500 870.0 1.687 1.687 1.067 -0.000 0.000 0.000 3/40500 880.0 1.668 1.668 1.055 -0.000 0.000 0.000 3/40500 890.0 1.649 1.649 1.043 -0.000 0.000 0.000 3/40500 900.0 1.631 1.631 1.032 -0.000 0.000 0.000 3/40500 910.0 1.613 1.613 1.020 -0.000 0.000 0.000 3/40500 920.0 1.595 1.595 1.009 -0.000 0.000 0.000 3/40500 930.0 1.578 1.578 0.998 -0.000 0.000 0.000 3/40500 940.0 1.561 1.561 0.988 -0.000 0.000 0.000 3/40500 950.0 1.545 1.545 0.977 -0.000 0.000 0.000 3/40500 960.0 1.529 1.529 0.967 -0.000 0.000 0.000 3/40500 970.0 1.513 1.513 0.957 -0.000 0.000 0.000 3/40500 980.0 1.497 1.497 0.947 -0.000 0.000 0.000 3/40500 990.0 1.482 1.482 0.938 -0.000 0.000 0.000 3/40500 1000.0 1.468 1.468 0.928 -0.000 0.000 0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:20:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|