----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:43:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 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 1.422713929697760 0.821404270290830 5.635206383333327 b -1.422713929697758 0.821404270290830 5.635206383333327 c 0.000000000000001 -1.642808540581663 5.635206383333327 Atomic positions (fractional): *1 O 0.89044482145673 0.89044482145673 0.89044482145673 15.999 2 O 0.10955517854327 0.10955517854327 0.10955517854327 15.999 *3 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 *4 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 -------------------------------- unit cell --------------------------------- Lattice vectors: a 2.845427859395518 0.000000000000000 0.000000000000000 b -1.422713929697759 2.464212810872493 0.000000000000000 c 0.000000000000000 0.000000000000000 16.905619150000000 Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.22377815479006 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.10955517854327 15.999 > 2 3 O 0.33333333333333 0.66666666666667 0.55711148812339 15.999 > 1 4 O 0.66666666666667 0.33333333333333 0.44288851187661 15.999 > 2 5 O 0.00000000000000 0.00000000000000 0.89044482145673 15.999 > 1 6 O 0.33333333333333 0.66666666666667 0.77622184520994 15.999 > 2 *7 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 3 8 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 3 9 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 3 *10 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 4 11 Cu 0.66666666666667 0.33333333333333 0.33333333333333 63.546 > 4 12 Cu 0.33333333333333 0.66666666666667 0.66666666666667 63.546 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.536283578186554 0.000000000000000 0.000000000000000 b -4.268141789093277 7.392638432617479 0.000000000000000 c 0.000000000000000 0.000000000000000 16.905619150000000 Atomic positions (fractional): *1 O 0.22222222222222 0.11111111111111 0.22377815479006 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.22377815479006 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.22377815479006 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.22377815479006 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.22377815479006 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.22377815479006 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.22377815479006 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.22377815479006 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.22377815479006 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.10955517854327 15.999 > 2 11 O 0.33333333333333 0.00000000000000 0.10955517854327 15.999 > 2 12 O 0.66666666666667 0.00000000000000 0.10955517854327 15.999 > 2 13 O 0.00000000000000 0.33333333333333 0.10955517854327 15.999 > 2 14 O 0.33333333333333 0.33333333333333 0.10955517854327 15.999 > 2 15 O 0.66666666666667 0.33333333333333 0.10955517854327 15.999 > 2 16 O 0.00000000000000 0.66666666666667 0.10955517854327 15.999 > 2 17 O 0.33333333333333 0.66666666666667 0.10955517854327 15.999 > 2 18 O 0.66666666666667 0.66666666666667 0.10955517854327 15.999 > 2 19 O 0.11111111111111 0.22222222222222 0.55711148812339 15.999 > 1 20 O 0.44444444444444 0.22222222222222 0.55711148812339 15.999 > 1 21 O 0.77777777777778 0.22222222222222 0.55711148812339 15.999 > 1 22 O 0.11111111111111 0.55555555555556 0.55711148812339 15.999 > 1 23 O 0.44444444444444 0.55555555555556 0.55711148812339 15.999 > 1 24 O 0.77777777777778 0.55555555555556 0.55711148812339 15.999 > 1 25 O 0.11111111111111 0.88888888888889 0.55711148812339 15.999 > 1 26 O 0.44444444444444 0.88888888888889 0.55711148812339 15.999 > 1 27 O 0.77777777777778 0.88888888888889 0.55711148812339 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.44288851187661 15.999 > 2 29 O 0.55555555555556 0.11111111111111 0.44288851187661 15.999 > 2 30 O 0.88888888888889 0.11111111111111 0.44288851187661 15.999 > 2 31 O 0.22222222222222 0.44444444444444 0.44288851187661 15.999 > 2 32 O 0.55555555555556 0.44444444444444 0.44288851187661 15.999 > 2 33 O 0.88888888888889 0.44444444444444 0.44288851187661 15.999 > 2 34 O 0.22222222222222 0.77777777777778 0.44288851187661 15.999 > 2 35 O 0.55555555555556 0.77777777777778 0.44288851187661 15.999 > 2 36 O 0.88888888888889 0.77777777777778 0.44288851187661 15.999 > 2 37 O 0.00000000000000 0.00000000000000 0.89044482145673 15.999 > 1 38 O 0.33333333333333 0.00000000000000 0.89044482145673 15.999 > 1 39 O 0.66666666666667 0.00000000000000 0.89044482145673 15.999 > 1 40 O 0.00000000000000 0.33333333333333 0.89044482145673 15.999 > 1 41 O 0.33333333333333 0.33333333333333 0.89044482145673 15.999 > 1 42 O 0.66666666666667 0.33333333333333 0.89044482145673 15.999 > 1 43 O 0.00000000000000 0.66666666666667 0.89044482145673 15.999 > 1 44 O 0.33333333333333 0.66666666666667 0.89044482145673 15.999 > 1 45 O 0.66666666666667 0.66666666666667 0.89044482145673 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.77622184520994 15.999 > 2 47 O 0.44444444444444 0.22222222222222 0.77622184520994 15.999 > 2 48 O 0.77777777777778 0.22222222222222 0.77622184520994 15.999 > 2 49 O 0.11111111111111 0.55555555555556 0.77622184520994 15.999 > 2 50 O 0.44444444444444 0.55555555555556 0.77622184520994 15.999 > 2 51 O 0.77777777777778 0.55555555555556 0.77622184520994 15.999 > 2 52 O 0.11111111111111 0.88888888888889 0.77622184520994 15.999 > 2 53 O 0.44444444444444 0.88888888888889 0.77622184520994 15.999 > 2 54 O 0.77777777777778 0.88888888888889 0.77622184520994 15.999 > 2 *55 Al 0.11111111111111 0.22222222222222 0.16666666666667 26.982 > 3 56 Al 0.44444444444444 0.22222222222222 0.16666666666667 26.982 > 3 57 Al 0.77777777777778 0.22222222222222 0.16666666666667 26.982 > 3 58 Al 0.11111111111111 0.55555555555556 0.16666666666667 26.982 > 3 59 Al 0.44444444444444 0.55555555555556 0.16666666666667 26.982 > 3 60 Al 0.77777777777778 0.55555555555556 0.16666666666667 26.982 > 3 61 Al 0.11111111111111 0.88888888888889 0.16666666666667 26.982 > 3 62 Al 0.44444444444444 0.88888888888889 0.16666666666667 26.982 > 3 63 Al 0.77777777777778 0.88888888888889 0.16666666666667 26.982 > 3 64 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 3 65 Al 0.33333333333333 0.00000000000000 0.50000000000000 26.982 > 3 66 Al 0.66666666666667 0.00000000000000 0.50000000000000 26.982 > 3 67 Al 0.00000000000000 0.33333333333333 0.50000000000000 26.982 > 3 68 Al 0.33333333333333 0.33333333333333 0.50000000000000 26.982 > 3 69 Al 0.66666666666667 0.33333333333333 0.50000000000000 26.982 > 3 70 Al 0.00000000000000 0.66666666666667 0.50000000000000 26.982 > 3 71 Al 0.33333333333333 0.66666666666667 0.50000000000000 26.982 > 3 72 Al 0.66666666666667 0.66666666666667 0.50000000000000 26.982 > 3 73 Al 0.22222222222222 0.11111111111111 0.83333333333333 26.982 > 3 74 Al 0.55555555555556 0.11111111111111 0.83333333333333 26.982 > 3 75 Al 0.88888888888889 0.11111111111111 0.83333333333333 26.982 > 3 76 Al 0.22222222222222 0.44444444444444 0.83333333333333 26.982 > 3 77 Al 0.55555555555556 0.44444444444444 0.83333333333333 26.982 > 3 78 Al 0.88888888888889 0.44444444444444 0.83333333333333 26.982 > 3 79 Al 0.22222222222222 0.77777777777778 0.83333333333333 26.982 > 3 80 Al 0.55555555555556 0.77777777777778 0.83333333333333 26.982 > 3 81 Al 0.88888888888889 0.77777777777778 0.83333333333333 26.982 > 3 *82 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 4 83 Cu 0.33333333333333 0.00000000000000 0.00000000000000 63.546 > 4 84 Cu 0.66666666666667 0.00000000000000 0.00000000000000 63.546 > 4 85 Cu 0.00000000000000 0.33333333333333 0.00000000000000 63.546 > 4 86 Cu 0.33333333333333 0.33333333333333 0.00000000000000 63.546 > 4 87 Cu 0.66666666666667 0.33333333333333 0.00000000000000 63.546 > 4 88 Cu 0.00000000000000 0.66666666666667 0.00000000000000 63.546 > 4 89 Cu 0.33333333333333 0.66666666666667 0.00000000000000 63.546 > 4 90 Cu 0.66666666666667 0.66666666666667 0.00000000000000 63.546 > 4 91 Cu 0.22222222222222 0.11111111111111 0.33333333333333 63.546 > 4 92 Cu 0.55555555555556 0.11111111111111 0.33333333333333 63.546 > 4 93 Cu 0.88888888888889 0.11111111111111 0.33333333333333 63.546 > 4 94 Cu 0.22222222222222 0.44444444444444 0.33333333333333 63.546 > 4 95 Cu 0.55555555555556 0.44444444444444 0.33333333333333 63.546 > 4 96 Cu 0.88888888888889 0.44444444444444 0.33333333333333 63.546 > 4 97 Cu 0.22222222222222 0.77777777777778 0.33333333333333 63.546 > 4 98 Cu 0.55555555555556 0.77777777777778 0.33333333333333 63.546 > 4 99 Cu 0.88888888888889 0.77777777777778 0.33333333333333 63.546 > 4 100 Cu 0.11111111111111 0.22222222222222 0.66666666666667 63.546 > 4 101 Cu 0.44444444444444 0.22222222222222 0.66666666666667 63.546 > 4 102 Cu 0.77777777777778 0.22222222222222 0.66666666666667 63.546 > 4 103 Cu 0.11111111111111 0.55555555555556 0.66666666666667 63.546 > 4 104 Cu 0.44444444444444 0.55555555555556 0.66666666666667 63.546 > 4 105 Cu 0.77777777777778 0.55555555555556 0.66666666666667 63.546 > 4 106 Cu 0.11111111111111 0.88888888888889 0.66666666666667 63.546 > 4 107 Cu 0.44444444444444 0.88888888888889 0.66666666666667 63.546 > 4 108 Cu 0.77777777777778 0.88888888888889 0.66666666666667 63.546 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2934247 -0.0000000 0.0000000 -0.0000000 6.2934247 0.0000000 0.0000000 0.0000000 4.5992594 -------------------------- Born effective charges -------------------------- 1 O -1.9603041 0.0000000 0.0000000 -0.0000000 -1.9603041 0.0000000 0.0000000 0.0000000 -2.2105391 2 O -1.9603041 0.0000000 0.0000000 -0.0000000 -1.9603041 0.0000000 0.0000000 0.0000000 -2.2105391 3 Al 3.0485208 -0.0000000 0.0000000 0.0000000 3.0485208 0.0000000 0.0000000 0.0000000 2.9367219 4 Cu 0.8720875 -0.0000000 0.0000000 0.0000000 0.8720875 0.0000000 0.0000000 0.0000000 1.4843562 ---------------------------------------------------------------------------- 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: 192 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): 0.006 Solver_block: 80 / 80 - Time: 0.109 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.116 --------------------------------- 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: 192 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 19:43:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:43:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 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 1.422713929697760 0.821404270290830 5.635206383333327 b -1.422713929697758 0.821404270290830 5.635206383333327 c 0.000000000000001 -1.642808540581663 5.635206383333327 Atomic positions (fractional): 1 O 0.89044482145673 0.89044482145673 0.89044482145673 15.999 2 O 0.10955517854327 0.10955517854327 0.10955517854327 15.999 3 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 4 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.536283578186554 0.000000000000000 0.000000000000000 b -4.268141789093277 7.392638432617479 0.000000000000000 c 0.000000000000000 0.000000000000000 16.905619150000000 Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.22377815479006 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.22377815479006 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.22377815479006 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.22377815479006 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.22377815479006 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.22377815479006 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.22377815479006 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.22377815479006 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.22377815479006 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.10955517854327 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.10955517854327 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.10955517854327 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.10955517854327 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.10955517854327 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.10955517854327 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.10955517854327 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.10955517854327 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.10955517854327 15.999 > 10 19 O 0.11111111111111 0.22222222222222 0.55711148812339 15.999 > 1 20 O 0.44444444444444 0.22222222222222 0.55711148812339 15.999 > 1 21 O 0.77777777777778 0.22222222222222 0.55711148812339 15.999 > 1 22 O 0.11111111111111 0.55555555555556 0.55711148812339 15.999 > 1 23 O 0.44444444444444 0.55555555555556 0.55711148812339 15.999 > 1 24 O 0.77777777777778 0.55555555555556 0.55711148812339 15.999 > 1 25 O 0.11111111111111 0.88888888888889 0.55711148812339 15.999 > 1 26 O 0.44444444444444 0.88888888888889 0.55711148812339 15.999 > 1 27 O 0.77777777777778 0.88888888888889 0.55711148812339 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.44288851187661 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.44288851187661 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.44288851187661 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.44288851187661 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.44288851187661 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.44288851187661 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.44288851187661 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.44288851187661 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.44288851187661 15.999 > 10 37 O 0.00000000000000 0.00000000000000 0.89044482145673 15.999 > 1 38 O 0.33333333333333 0.00000000000000 0.89044482145673 15.999 > 1 39 O 0.66666666666667 0.00000000000000 0.89044482145673 15.999 > 1 40 O 0.00000000000000 0.33333333333333 0.89044482145673 15.999 > 1 41 O 0.33333333333333 0.33333333333333 0.89044482145673 15.999 > 1 42 O 0.66666666666667 0.33333333333333 0.89044482145673 15.999 > 1 43 O 0.00000000000000 0.66666666666667 0.89044482145673 15.999 > 1 44 O 0.33333333333333 0.66666666666667 0.89044482145673 15.999 > 1 45 O 0.66666666666667 0.66666666666667 0.89044482145673 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.77622184520994 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.77622184520994 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.77622184520994 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.77622184520994 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.77622184520994 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.77622184520994 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.77622184520994 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.77622184520994 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.77622184520994 15.999 > 10 55 Al 0.11111111111111 0.22222222222222 0.16666666666667 26.982 > 55 56 Al 0.44444444444444 0.22222222222222 0.16666666666667 26.982 > 55 57 Al 0.77777777777778 0.22222222222222 0.16666666666667 26.982 > 55 58 Al 0.11111111111111 0.55555555555556 0.16666666666667 26.982 > 55 59 Al 0.44444444444444 0.55555555555556 0.16666666666667 26.982 > 55 60 Al 0.77777777777778 0.55555555555556 0.16666666666667 26.982 > 55 61 Al 0.11111111111111 0.88888888888889 0.16666666666667 26.982 > 55 62 Al 0.44444444444444 0.88888888888889 0.16666666666667 26.982 > 55 63 Al 0.77777777777778 0.88888888888889 0.16666666666667 26.982 > 55 64 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 55 65 Al 0.33333333333333 0.00000000000000 0.50000000000000 26.982 > 55 66 Al 0.66666666666667 0.00000000000000 0.50000000000000 26.982 > 55 67 Al 0.00000000000000 0.33333333333333 0.50000000000000 26.982 > 55 68 Al 0.33333333333333 0.33333333333333 0.50000000000000 26.982 > 55 69 Al 0.66666666666667 0.33333333333333 0.50000000000000 26.982 > 55 70 Al 0.00000000000000 0.66666666666667 0.50000000000000 26.982 > 55 71 Al 0.33333333333333 0.66666666666667 0.50000000000000 26.982 > 55 72 Al 0.66666666666667 0.66666666666667 0.50000000000000 26.982 > 55 73 Al 0.22222222222222 0.11111111111111 0.83333333333333 26.982 > 55 74 Al 0.55555555555556 0.11111111111111 0.83333333333333 26.982 > 55 75 Al 0.88888888888889 0.11111111111111 0.83333333333333 26.982 > 55 76 Al 0.22222222222222 0.44444444444444 0.83333333333333 26.982 > 55 77 Al 0.55555555555556 0.44444444444444 0.83333333333333 26.982 > 55 78 Al 0.88888888888889 0.44444444444444 0.83333333333333 26.982 > 55 79 Al 0.22222222222222 0.77777777777778 0.83333333333333 26.982 > 55 80 Al 0.55555555555556 0.77777777777778 0.83333333333333 26.982 > 55 81 Al 0.88888888888889 0.77777777777778 0.83333333333333 26.982 > 55 82 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 82 83 Cu 0.33333333333333 0.00000000000000 0.00000000000000 63.546 > 82 84 Cu 0.66666666666667 0.00000000000000 0.00000000000000 63.546 > 82 85 Cu 0.00000000000000 0.33333333333333 0.00000000000000 63.546 > 82 86 Cu 0.33333333333333 0.33333333333333 0.00000000000000 63.546 > 82 87 Cu 0.66666666666667 0.33333333333333 0.00000000000000 63.546 > 82 88 Cu 0.00000000000000 0.66666666666667 0.00000000000000 63.546 > 82 89 Cu 0.33333333333333 0.66666666666667 0.00000000000000 63.546 > 82 90 Cu 0.66666666666667 0.66666666666667 0.00000000000000 63.546 > 82 91 Cu 0.22222222222222 0.11111111111111 0.33333333333333 63.546 > 82 92 Cu 0.55555555555556 0.11111111111111 0.33333333333333 63.546 > 82 93 Cu 0.88888888888889 0.11111111111111 0.33333333333333 63.546 > 82 94 Cu 0.22222222222222 0.44444444444444 0.33333333333333 63.546 > 82 95 Cu 0.55555555555556 0.44444444444444 0.33333333333333 63.546 > 82 96 Cu 0.88888888888889 0.44444444444444 0.33333333333333 63.546 > 82 97 Cu 0.22222222222222 0.77777777777778 0.33333333333333 63.546 > 82 98 Cu 0.55555555555556 0.77777777777778 0.33333333333333 63.546 > 82 99 Cu 0.88888888888889 0.77777777777778 0.33333333333333 63.546 > 82 100 Cu 0.11111111111111 0.22222222222222 0.66666666666667 63.546 > 82 101 Cu 0.44444444444444 0.22222222222222 0.66666666666667 63.546 > 82 102 Cu 0.77777777777778 0.22222222222222 0.66666666666667 63.546 > 82 103 Cu 0.11111111111111 0.55555555555556 0.66666666666667 63.546 > 82 104 Cu 0.44444444444444 0.55555555555556 0.66666666666667 63.546 > 82 105 Cu 0.77777777777778 0.55555555555556 0.66666666666667 63.546 > 82 106 Cu 0.11111111111111 0.88888888888889 0.66666666666667 63.546 > 82 107 Cu 0.44444444444444 0.88888888888889 0.66666666666667 63.546 > 82 108 Cu 0.77777777777778 0.88888888888889 0.66666666666667 63.546 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2934247 -0.0000000 0.0000000 -0.0000000 6.2934247 0.0000000 0.0000000 0.0000000 4.5992594 -------------------------- Born effective charges -------------------------- 1 O -1.9603041 0.0000000 0.0000000 -0.0000000 -1.9603041 0.0000000 0.0000000 0.0000000 -2.2105391 2 O -1.9603041 0.0000000 0.0000000 -0.0000000 -1.9603041 0.0000000 0.0000000 0.0000000 -2.2105391 3 Al 3.0485208 -0.0000000 0.0000000 0.0000000 3.0485208 0.0000000 0.0000000 0.0000000 2.9367219 4 Cu 0.8720875 -0.0000000 0.0000000 0.0000000 0.8720875 0.0000000 0.0000000 0.0000000 1.4843562 ---------------------------------------------------------------------------- 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 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:43:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:43:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 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 1.422713929697760 0.821404270290830 5.635206383333327 b -1.422713929697758 0.821404270290830 5.635206383333327 c 0.000000000000001 -1.642808540581663 5.635206383333327 Atomic positions (fractional): 1 O 0.89044482145673 0.89044482145673 0.89044482145673 15.999 2 O 0.10955517854327 0.10955517854327 0.10955517854327 15.999 3 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 4 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.536283578186554 0.000000000000000 0.000000000000000 b -4.268141789093277 7.392638432617479 0.000000000000000 c 0.000000000000000 0.000000000000000 16.905619150000000 Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.22377815479006 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.22377815479006 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.22377815479006 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.22377815479006 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.22377815479006 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.22377815479006 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.22377815479006 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.22377815479006 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.22377815479006 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.10955517854327 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.10955517854327 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.10955517854327 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.10955517854327 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.10955517854327 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.10955517854327 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.10955517854327 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.10955517854327 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.10955517854327 15.999 > 10 19 O 0.11111111111111 0.22222222222222 0.55711148812339 15.999 > 1 20 O 0.44444444444444 0.22222222222222 0.55711148812339 15.999 > 1 21 O 0.77777777777778 0.22222222222222 0.55711148812339 15.999 > 1 22 O 0.11111111111111 0.55555555555556 0.55711148812339 15.999 > 1 23 O 0.44444444444444 0.55555555555556 0.55711148812339 15.999 > 1 24 O 0.77777777777778 0.55555555555556 0.55711148812339 15.999 > 1 25 O 0.11111111111111 0.88888888888889 0.55711148812339 15.999 > 1 26 O 0.44444444444444 0.88888888888889 0.55711148812339 15.999 > 1 27 O 0.77777777777778 0.88888888888889 0.55711148812339 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.44288851187661 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.44288851187661 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.44288851187661 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.44288851187661 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.44288851187661 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.44288851187661 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.44288851187661 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.44288851187661 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.44288851187661 15.999 > 10 37 O 0.00000000000000 0.00000000000000 0.89044482145673 15.999 > 1 38 O 0.33333333333333 0.00000000000000 0.89044482145673 15.999 > 1 39 O 0.66666666666667 0.00000000000000 0.89044482145673 15.999 > 1 40 O 0.00000000000000 0.33333333333333 0.89044482145673 15.999 > 1 41 O 0.33333333333333 0.33333333333333 0.89044482145673 15.999 > 1 42 O 0.66666666666667 0.33333333333333 0.89044482145673 15.999 > 1 43 O 0.00000000000000 0.66666666666667 0.89044482145673 15.999 > 1 44 O 0.33333333333333 0.66666666666667 0.89044482145673 15.999 > 1 45 O 0.66666666666667 0.66666666666667 0.89044482145673 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.77622184520994 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.77622184520994 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.77622184520994 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.77622184520994 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.77622184520994 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.77622184520994 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.77622184520994 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.77622184520994 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.77622184520994 15.999 > 10 55 Al 0.11111111111111 0.22222222222222 0.16666666666667 26.982 > 55 56 Al 0.44444444444444 0.22222222222222 0.16666666666667 26.982 > 55 57 Al 0.77777777777778 0.22222222222222 0.16666666666667 26.982 > 55 58 Al 0.11111111111111 0.55555555555556 0.16666666666667 26.982 > 55 59 Al 0.44444444444444 0.55555555555556 0.16666666666667 26.982 > 55 60 Al 0.77777777777778 0.55555555555556 0.16666666666667 26.982 > 55 61 Al 0.11111111111111 0.88888888888889 0.16666666666667 26.982 > 55 62 Al 0.44444444444444 0.88888888888889 0.16666666666667 26.982 > 55 63 Al 0.77777777777778 0.88888888888889 0.16666666666667 26.982 > 55 64 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 55 65 Al 0.33333333333333 0.00000000000000 0.50000000000000 26.982 > 55 66 Al 0.66666666666667 0.00000000000000 0.50000000000000 26.982 > 55 67 Al 0.00000000000000 0.33333333333333 0.50000000000000 26.982 > 55 68 Al 0.33333333333333 0.33333333333333 0.50000000000000 26.982 > 55 69 Al 0.66666666666667 0.33333333333333 0.50000000000000 26.982 > 55 70 Al 0.00000000000000 0.66666666666667 0.50000000000000 26.982 > 55 71 Al 0.33333333333333 0.66666666666667 0.50000000000000 26.982 > 55 72 Al 0.66666666666667 0.66666666666667 0.50000000000000 26.982 > 55 73 Al 0.22222222222222 0.11111111111111 0.83333333333333 26.982 > 55 74 Al 0.55555555555556 0.11111111111111 0.83333333333333 26.982 > 55 75 Al 0.88888888888889 0.11111111111111 0.83333333333333 26.982 > 55 76 Al 0.22222222222222 0.44444444444444 0.83333333333333 26.982 > 55 77 Al 0.55555555555556 0.44444444444444 0.83333333333333 26.982 > 55 78 Al 0.88888888888889 0.44444444444444 0.83333333333333 26.982 > 55 79 Al 0.22222222222222 0.77777777777778 0.83333333333333 26.982 > 55 80 Al 0.55555555555556 0.77777777777778 0.83333333333333 26.982 > 55 81 Al 0.88888888888889 0.77777777777778 0.83333333333333 26.982 > 55 82 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 82 83 Cu 0.33333333333333 0.00000000000000 0.00000000000000 63.546 > 82 84 Cu 0.66666666666667 0.00000000000000 0.00000000000000 63.546 > 82 85 Cu 0.00000000000000 0.33333333333333 0.00000000000000 63.546 > 82 86 Cu 0.33333333333333 0.33333333333333 0.00000000000000 63.546 > 82 87 Cu 0.66666666666667 0.33333333333333 0.00000000000000 63.546 > 82 88 Cu 0.00000000000000 0.66666666666667 0.00000000000000 63.546 > 82 89 Cu 0.33333333333333 0.66666666666667 0.00000000000000 63.546 > 82 90 Cu 0.66666666666667 0.66666666666667 0.00000000000000 63.546 > 82 91 Cu 0.22222222222222 0.11111111111111 0.33333333333333 63.546 > 82 92 Cu 0.55555555555556 0.11111111111111 0.33333333333333 63.546 > 82 93 Cu 0.88888888888889 0.11111111111111 0.33333333333333 63.546 > 82 94 Cu 0.22222222222222 0.44444444444444 0.33333333333333 63.546 > 82 95 Cu 0.55555555555556 0.44444444444444 0.33333333333333 63.546 > 82 96 Cu 0.88888888888889 0.44444444444444 0.33333333333333 63.546 > 82 97 Cu 0.22222222222222 0.77777777777778 0.33333333333333 63.546 > 82 98 Cu 0.55555555555556 0.77777777777778 0.33333333333333 63.546 > 82 99 Cu 0.88888888888889 0.77777777777778 0.33333333333333 63.546 > 82 100 Cu 0.11111111111111 0.22222222222222 0.66666666666667 63.546 > 82 101 Cu 0.44444444444444 0.22222222222222 0.66666666666667 63.546 > 82 102 Cu 0.77777777777778 0.22222222222222 0.66666666666667 63.546 > 82 103 Cu 0.11111111111111 0.55555555555556 0.66666666666667 63.546 > 82 104 Cu 0.44444444444444 0.55555555555556 0.66666666666667 63.546 > 82 105 Cu 0.77777777777778 0.55555555555556 0.66666666666667 63.546 > 82 106 Cu 0.11111111111111 0.88888888888889 0.66666666666667 63.546 > 82 107 Cu 0.44444444444444 0.88888888888889 0.66666666666667 63.546 > 82 108 Cu 0.77777777777778 0.88888888888889 0.66666666666667 63.546 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.2934247 -0.0000000 0.0000000 -0.0000000 6.2934247 0.0000000 0.0000000 0.0000000 4.5992594 -------------------------- Born effective charges -------------------------- 1 O -1.9603041 0.0000000 0.0000000 -0.0000000 -1.9603041 0.0000000 0.0000000 0.0000000 -2.2105391 2 O -1.9603041 0.0000000 0.0000000 -0.0000000 -1.9603041 0.0000000 0.0000000 0.0000000 -2.2105391 3 Al 3.0485208 -0.0000000 0.0000000 0.0000000 3.0485208 0.0000000 0.0000000 0.0000000 2.9367219 4 Cu 0.8720875 -0.0000000 0.0000000 0.0000000 0.8720875 0.0000000 0.0000000 0.0000000 1.4843562 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 ... [ 21 21 21 ] 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: 1.22, Number of G-points: 295, Lambda: 0.30 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/891) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 891 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 4.590 ( 0.000 0.000 0.000) 0.000 4.590 ( 0.000 0.000 0.000) 0.000 12.532 ( 0.000 0.000 0.000) 0.000 12.532 ( 0.000 0.000 0.000) 0.000 13.962 ( 0.000 0.000 0.000) 0.000 15.209 ( 0.000 0.000 0.000) 0.000 15.209 ( 0.000 0.000 0.000) 0.000 20.738 ( 0.000 0.000 0.000) 0.000 22.737 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/891) ======================= q-point: ( 0.05 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 14.578 8.417 60.060) 62.374 0.871 ( 37.342 21.559 2.181) 43.174 1.427 ( 56.836 32.814 5.425) 65.853 4.667 ( 7.337 4.236 -1.929) 8.689 4.940 ( 23.429 13.527 -2.240) 27.146 12.542 ( 0.505 0.292 2.403) 2.473 12.627 ( 8.219 4.746 -1.350) 9.587 13.928 ( -2.348 -1.356 -3.798) 4.666 15.231 ( 2.102 1.214 -1.630) 2.924 19.216 ( 20.891 12.061 -158.540) 160.365 20.966 ( -25.436 -14.686 166.480) 169.051 22.708 ( -2.882 -1.664 2.631) 4.243 ======================= Grid point 2 (3/891) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 21.703 12.530 51.473) 57.250 1.648 ( 31.082 17.945 2.510) 35.978 2.453 ( 32.754 18.911 6.760) 38.421 4.917 ( 16.022 9.250 -3.671) 18.861 5.773 ( 51.617 29.801 -2.645) 59.661 12.567 ( 0.883 0.510 4.536) 4.649 12.846 ( 10.236 5.910 -3.733) 12.395 13.861 ( -1.220 -0.704 -5.775) 5.944 15.292 ( 3.953 2.282 -3.015) 5.471 19.235 ( 10.412 6.011 -78.350) 79.267 20.836 ( -16.949 -9.785 80.691) 83.031 22.625 ( -5.439 -3.140 5.346) 8.248 ======================= Grid point 3 (4/891) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 27.987 16.158 41.850) 52.875 2.251 ( 22.173 12.802 2.622) 25.737 2.984 ( 15.051 8.690 8.690) 19.431 5.368 ( 25.367 14.645 -4.886) 29.696 7.137 ( 68.527 39.564 -2.570) 79.170 12.604 ( 1.001 0.578 6.222) 6.328 12.943 ( -2.220 -1.282 -9.453) 9.794 13.931 ( 10.352 5.976 -3.037) 12.333 15.387 ( 5.361 3.095 -3.988) 7.363 19.224 ( 4.324 2.497 -47.979) 48.238 20.690 ( -11.593 -6.693 46.192) 48.092 22.499 ( -7.536 -4.351 8.169) 11.935 ======================= Grid point 4 (5/891) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 30.806 17.786 28.994) 45.892 2.658 ( 14.099 8.140 2.292) 16.441 3.258 ( 8.253 4.765 15.141) 17.890 6.003 ( 32.271 18.631 -5.420) 37.655 8.720 ( 72.445 41.826 -2.352) 83.685 12.644 ( 0.730 0.422 7.407) 7.455 12.697 ( -15.542 -8.973 -13.883) 22.690 14.277 ( 19.100 11.027 -0.090) 22.055 15.505 ( 6.226 3.595 -4.495) 8.479 19.152 ( -0.903 -0.521 -29.711) 29.730 20.597 ( -5.362 -3.096 23.290) 24.099 22.337 ( -9.347 -5.396 10.915) 15.350 ======================= Grid point 5 (6/891) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( 8.763 5.059 1.744) 10.268 3.114 ( 17.948 10.362 -1.602) 20.786 3.577 ( 18.939 10.934 40.618) 46.131 6.746 ( 34.989 20.201 -5.559) 40.783 10.312 ( 70.175 40.515 -2.254) 81.062 12.218 ( -23.010 -13.285 -15.243) 30.632 12.675 ( -0.006 -0.004 8.119) 8.119 14.721 ( 19.807 11.436 1.016) 22.894 15.636 ( 6.534 3.772 -4.571) 8.821 19.031 ( -3.246 -1.874 -19.827) 20.178 20.577 ( -0.657 -0.379 8.642) 8.675 22.142 ( -11.205 -6.469 13.257) 18.525 ======================= Grid point 6 (7/891) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( 5.606 3.237 1.232) 6.590 3.301 ( 4.106 2.371 -5.375) 7.167 4.293 ( 30.611 17.673 40.030) 53.402 7.507 ( 34.121 19.700 -5.561) 39.790 11.603 ( -27.282 -15.751 -17.043) 35.817 11.815 ( 64.002 36.952 -0.444) 73.905 12.686 ( -1.163 -0.672 8.374) 8.481 15.147 ( 17.836 10.298 1.426) 20.644 15.768 ( 6.314 3.646 -4.285) 8.457 18.911 ( -2.776 -1.603 -16.079) 16.396 20.603 ( 1.499 0.865 0.819) 1.915 21.910 ( -13.256 -7.653 15.006) 21.435 ======================= Grid point 7 (8/891) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( 3.662 2.114 0.833) 4.310 3.343 ( 1.248 0.721 -2.908) 3.245 5.092 ( 31.100 17.956 33.460) 49.083 8.218 ( 30.564 17.646 -5.412) 35.705 10.909 ( -30.268 -17.475 -15.332) 38.166 12.668 ( -2.482 -1.433 8.101) 8.593 13.155 ( 55.577 32.087 -1.834) 64.201 15.527 ( 16.103 9.297 1.792) 18.680 15.890 ( 5.602 3.234 -3.699) 7.451 18.818 ( -1.772 -1.023 -14.856) 14.996 20.640 ( 2.010 1.161 -3.374) 4.095 21.636 ( -15.093 -8.714 16.228) 23.813 ======================= Grid point 8 (9/891) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( 2.330 1.345 0.531) 2.742 3.352 ( 0.249 0.144 -1.564) 1.591 5.856 ( 29.397 16.972 27.773) 43.859 8.824 ( 24.693 14.256 -4.876) 28.927 10.185 ( -30.304 -17.496 -14.776) 37.984 12.622 ( -3.420 -1.975 7.093) 8.118 14.247 ( 41.787 24.125 -2.320) 48.307 15.895 ( 16.820 9.711 2.900) 19.638 15.993 ( 4.427 2.556 -2.858) 5.857 18.739 ( -1.914 -1.105 -13.823) 13.998 20.668 ( 1.571 0.907 -6.266) 6.523 21.338 ( -15.372 -8.875 16.917) 24.521 ======================= Grid point 9 (10/891) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( 1.303 0.752 0.295) 1.533 3.350 ( -0.062 -0.036 -0.766) 0.769 6.543 ( 25.333 14.626 21.340) 36.209 9.275 ( 16.433 9.487 -3.594) 19.312 9.500 ( -26.638 -15.379 -13.421) 33.559 12.563 ( -3.213 -1.855 5.053) 6.268 14.965 ( 22.769 13.145 -2.619) 26.421 16.069 ( 2.849 1.645 -1.810) 3.755 16.306 ( 18.493 10.677 4.207) 21.765 18.648 ( -2.985 -1.724 -11.379) 11.889 20.666 ( -0.217 -0.126 -7.539) 7.543 21.075 ( -11.371 -6.565 15.259) 20.130 ======================= Grid point 10 (11/891) ======================= q-point: ( 0.48 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.309 ( 0.420 0.243 0.095) 0.494 3.347 ( -0.053 -0.030 -0.228) 0.236 7.041 ( 12.684 7.323 9.760) 17.600 8.995 ( -13.262 -7.657 -7.091) 16.875 9.520 ( 5.842 3.373 -1.361) 6.881 12.519 ( -1.362 -0.786 1.869) 2.443 15.274 ( 6.489 3.747 -1.179) 7.585 16.108 ( 0.984 0.568 -0.620) 1.295 16.656 ( 9.370 5.410 2.394) 11.081 18.560 ( -2.067 -1.194 -4.967) 5.511 20.624 ( -1.400 -0.808 -3.105) 3.501 20.943 ( -3.333 -1.924 6.074) 7.191 ======================= Grid point 22 (12/891) ======================= q-point: ( 0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 0.000 11.620 82.048) 82.867 0.885 ( -0.000 42.721 5.538) 43.079 1.439 ( -0.000 64.693 9.053) 65.324 4.662 ( -0.000 8.571 -3.170) 9.138 4.924 ( -0.000 27.263 -5.798) 27.873 12.530 ( -0.000 -0.141 -0.239) 0.278 12.645 ( 0.000 10.194 2.734) 10.554 13.911 ( -0.000 -2.660 -7.770) 8.213 15.240 ( -0.000 2.969 0.593) 3.028 18.768 ( -0.000 57.712 -177.613) 186.754 21.439 ( 0.000 -66.307 190.028) 201.264 22.719 ( 0.000 -3.440 5.690) 6.649 ======================= Grid point 23 (13/891) ======================= q-point: ( 0.10 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 8.046 14.991 71.469) 73.466 1.483 ( 18.926 33.683 5.347) 39.004 2.253 ( 23.034 38.483 10.726) 46.115 4.824 ( 7.932 14.303 -4.953) 17.089 5.462 ( 25.918 43.685 -5.723) 51.117 12.605 ( 5.387 1.656 0.714) 5.681 12.748 ( 1.200 10.037 1.593) 10.233 13.844 ( -1.250 -2.377 -9.979) 10.334 15.281 ( 0.846 4.661 -0.938) 4.829 18.949 ( 10.562 29.001 -97.563) 102.328 21.167 ( -14.296 -36.479 101.484) 108.785 22.674 ( -2.775 -4.910 8.143) 9.906 ======================= Grid point 24 (14/891) ======================= q-point: ( 0.14 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 17.027 18.294 56.702) 61.965 2.095 ( 18.106 23.589 4.645) 30.097 2.871 ( 15.315 16.796 12.786) 26.079 5.186 ( 16.492 21.861 -6.283) 28.096 6.574 ( 49.620 54.001 -4.968) 73.505 12.692 ( -1.543 7.881 5.107) 9.517 12.860 ( 4.736 -1.524 -6.920) 8.523 13.825 ( 4.542 2.067 -7.359) 8.891 15.355 ( 2.476 5.803 -2.595) 6.822 19.085 ( 5.124 17.227 -57.779) 60.509 20.885 ( -10.804 -23.992 56.264) 62.113 22.580 ( -5.115 -6.148 10.575) 13.259 ======================= Grid point 25 (15/891) ======================= q-point: ( 0.19 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 22.882 19.390 38.957) 49.165 2.552 ( 12.812 15.099 4.101) 20.222 3.223 ( 8.952 8.511 18.921) 22.596 5.755 ( 23.711 28.915 -6.726) 37.994 8.034 ( 61.651 53.837 -4.183) 81.956 12.700 ( -7.370 -3.428 -2.902) 8.631 12.796 ( -3.490 1.914 -4.800) 6.235 14.043 ( 16.997 6.608 -1.827) 18.328 15.458 ( 3.724 6.258 -3.537) 8.096 19.127 ( -0.934 11.335 -35.984) 37.739 20.671 ( -5.339 -16.564 29.450) 34.208 22.447 ( -7.045 -7.252 12.894) 16.385 ======================= Grid point 26 (16/891) ======================= q-point: ( 0.24 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 9.678 8.648 3.656) 13.483 2.930 ( 18.158 14.506 9.750) 25.203 3.539 ( 12.317 10.910 38.773) 42.119 6.471 ( 27.325 33.170 -6.583) 43.476 9.592 ( 65.086 49.119 -3.907) 81.635 12.343 ( -15.885 -16.960 -15.574) 27.974 12.815 ( -5.634 11.342 6.347) 14.166 14.446 ( 22.466 6.178 0.487) 23.305 15.576 ( 4.543 5.871 -3.939) 8.404 19.075 ( -5.786 7.603 -23.430) 25.303 20.559 ( 0.441 -10.434 11.905) 15.836 22.277 ( -8.836 -8.382 14.831) 19.190 ======================= Grid point 27 (17/891) ======================= q-point: ( 0.29 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 5.529 5.197 1.925) 7.828 3.225 ( 7.079 4.641 -4.881) 9.771 4.132 ( 24.169 18.439 47.287) 56.215 7.244 ( 27.270 34.575 -6.296) 44.483 11.102 ( 62.740 41.732 -6.258) 75.611 11.805 ( -20.962 -18.777 -13.669) 31.286 12.839 ( -7.184 11.596 7.340) 15.490 14.883 ( 22.599 4.805 1.292) 23.140 15.697 ( 5.100 4.609 -4.021) 7.963 18.967 ( -7.286 5.957 -18.164) 20.457 20.538 ( 3.880 -6.429 2.298) 7.852 22.071 ( -10.760 -9.592 16.221) 21.700 ======================= Grid point 28 (18/891) ======================= q-point: ( 0.33 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 3.685 3.192 1.316) 5.050 3.313 ( 2.572 1.576 -3.784) 4.839 4.881 ( 27.614 19.189 40.169) 52.386 7.995 ( 24.427 33.935 -5.972) 42.237 11.136 ( -24.878 -21.501 -18.548) 37.752 12.515 ( 55.543 34.525 0.008) 65.399 12.844 ( -6.732 12.619 6.773) 15.825 15.295 ( 20.735 4.538 1.713) 21.295 15.811 ( 5.514 2.755 -3.881) 7.284 18.856 ( -6.337 4.910 -16.724) 18.547 20.561 ( 4.835 -4.423 -2.320) 6.952 21.823 ( -12.756 -10.648 17.134) 23.868 ======================= Grid point 29 (19/891) ======================= q-point: ( 0.38 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( 2.489 1.898 0.900) 3.257 3.341 ( 0.871 0.569 -2.301) 2.525 5.629 ( 27.684 17.828 32.968) 46.595 8.666 ( 19.350 31.713 -5.444) 37.547 10.437 ( -27.263 -21.339 -16.610) 38.400 12.787 ( -9.446 9.180 6.501) 14.689 13.741 ( 47.890 28.849 -1.354) 55.924 15.685 ( 19.430 6.342 2.347) 20.573 15.912 ( 5.696 0.786 -3.431) 6.696 18.752 ( -5.005 2.363 -15.933) 16.866 20.592 ( 4.405 -3.408 -5.201) 7.621 21.540 ( -14.136 -10.934 17.758) 25.194 ======================= Grid point 30 (20/891) ======================= q-point: ( 0.43 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( 1.585 1.002 0.607) 1.971 3.347 ( 0.179 0.209 -1.309) 1.338 6.324 ( 25.726 15.338 25.748) 39.497 9.205 ( 11.897 27.004 -4.498) 29.850 9.744 ( -26.174 -18.060 -14.795) 35.073 12.722 ( -10.124 8.432 4.751) 14.006 14.646 ( 32.310 17.942 -1.423) 36.985 15.992 ( 5.345 -0.857 -2.269) 5.869 16.106 ( 20.203 10.496 2.998) 22.963 18.636 ( -3.881 -2.534 -14.148) 14.888 20.608 ( 3.078 -2.630 -7.942) 8.914 21.255 ( -13.313 -9.595 17.893) 24.278 ======================= Grid point 31 (21/891) ======================= q-point: ( 0.48 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.303 ( 0.794 0.361 0.406) 0.962 3.347 ( -0.012 0.119 -0.663) 0.674 6.894 ( 18.633 9.979 15.942) 26.475 9.128 ( -17.860 -14.447 -10.443) 25.234 9.590 ( 1.177 24.084 -2.642) 24.257 12.650 ( -8.996 8.504 1.952) 12.532 15.148 ( 14.531 6.954 -0.361) 16.113 16.050 ( 4.112 -2.474 -1.103) 4.924 16.551 ( 15.605 12.657 2.339) 20.228 18.504 ( -0.774 -8.153 -9.583) 12.606 20.599 ( 1.297 -1.236 -9.651) 9.816 21.036 ( -8.634 -6.592 15.610) 19.017 ======================= Grid point 32 (22/891) ======================= q-point: (-0.48 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( -0.006 -0.111 0.301) 0.321 3.347 ( 0.059 0.134 -0.246) 0.286 7.108 ( -3.028 -3.066 -1.920) 4.718 8.892 ( 4.005 -0.959 1.818) 4.501 9.725 ( -9.636 17.882 0.220) 20.315 12.608 ( -6.318 9.792 -1.647) 11.769 15.302 ( 0.879 -1.053 1.772) 2.241 16.075 ( 2.413 -3.634 0.372) 4.378 16.759 ( -3.620 4.515 -2.290) 6.223 18.454 ( 7.334 -8.068 -0.409) 10.911 20.597 ( 2.117 1.339 -7.670) 8.068 20.930 ( -2.343 -3.596 8.217) 9.270 ======================= Grid point 33 (23/891) ======================= q-point: (-0.43 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( -0.885 -0.500 0.228) 1.042 3.350 ( 0.183 0.170 0.132) 0.282 6.757 ( -22.239 -13.219 -16.336) 30.597 9.219 ( 23.411 8.967 10.894) 27.335 9.614 ( -20.329 11.711 2.985) 23.650 12.620 ( -3.687 11.630 -5.033) 13.198 15.165 ( -13.088 -9.133 3.524) 16.344 16.062 ( 0.400 -4.362 1.749) 4.716 16.518 ( -18.894 -7.439 -5.470) 21.030 18.576 ( 10.070 -2.102 7.419) 12.683 20.650 ( 3.107 0.542 0.236) 3.162 20.940 ( 5.286 1.018 -4.780) 7.199 ======================= Grid point 34 (24/891) ======================= q-point: (-0.38 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( -1.898 -0.838 0.110) 2.078 3.356 ( 0.135 0.105 0.683) 0.704 6.119 ( -29.126 -15.821 -22.483) 40.051 9.243 ( -29.123 3.553 4.340) 29.658 9.860 ( 29.933 13.610 12.575) 35.204 12.671 ( -2.719 12.857 -7.260) 15.013 14.666 ( -32.022 -19.330 3.369) 37.555 16.010 ( -2.971 -5.374 1.512) 6.325 16.080 ( -17.243 -11.007 -2.583) 20.619 18.740 ( 5.670 2.433 10.274) 11.985 20.671 ( 0.268 -3.909 6.292) 7.412 21.116 ( 13.925 6.145 -14.130) 20.768 ======================= Grid point 35 (25/891) ======================= q-point: (-0.33 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.221 ( -3.187 -1.169 -0.056) 3.395 3.358 ( -0.319 -0.198 1.606) 1.649 5.376 ( -32.436 -16.285 -26.486) 44.931 8.710 ( -36.870 -0.785 4.801) 37.189 10.560 ( 33.076 12.940 12.356) 37.605 12.725 ( -3.447 12.890 -8.246) 15.685 13.757 ( -49.195 -27.335 2.355) 56.329 15.667 ( -14.760 -13.263 -1.823) 19.927 15.943 ( -3.590 -4.152 4.001) 6.793 18.869 ( 1.682 5.594 11.242) 12.669 20.635 ( -0.422 -5.859 4.811) 7.593 21.400 ( 16.429 6.713 -14.766) 23.087 ======================= Grid point 36 (26/891) ======================= q-point: (-0.29 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( -4.984 -1.570 -0.269) 5.232 3.345 ( -1.673 -0.967 3.430) 3.937 4.579 ( -34.337 -15.833 -30.488) 48.572 8.040 ( -41.369 -4.165 4.742) 41.848 11.264 ( 32.549 11.202 11.523) 36.300 12.519 ( -55.673 -30.280 0.731) 63.379 12.785 ( -10.036 11.322 -6.771) 16.576 15.285 ( -14.422 -15.277 -0.476) 21.015 15.845 ( -5.149 -3.330 4.219) 7.444 18.980 ( 0.172 8.072 12.325) 14.734 20.577 ( -0.116 -6.919 1.119) 7.010 21.692 ( 15.594 5.757 -13.374) 21.334 ======================= Grid point 37 (27/891) ======================= q-point: (-0.24 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( -7.752 -2.200 -0.529) 8.076 3.281 ( -7.338 -3.721 8.227) 11.635 3.773 ( -31.899 -13.007 -36.850) 50.445 7.289 ( -43.284 -6.343 4.404) 43.968 11.131 ( -68.763 -33.008 0.467) 76.276 11.914 ( 29.272 7.887 11.865) 32.555 12.777 ( -6.491 12.733 -7.085) 15.951 14.878 ( -15.741 -16.674 0.091) 22.931 15.732 ( -6.449 -2.384 4.146) 8.029 19.109 ( 0.460 9.819 15.052) 17.977 20.507 ( 0.959 -7.557 -5.096) 9.165 21.953 ( 13.692 4.634 -11.255) 18.320 ======================= Grid point 38 (28/891) ======================= q-point: (-0.19 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( -26.371 -11.278 -9.172) 30.112 2.848 ( -21.281 -5.632 -5.910) 22.793 3.312 ( -7.261 -2.322 -15.150) 16.960 6.516 ( -42.008 -7.110 3.894) 42.783 9.613 ( -74.865 -31.366 1.066) 81.177 12.442 ( 22.335 4.070 7.775) 23.997 12.770 ( -5.887 11.621 -3.982) 13.622 14.446 ( -16.620 -15.816 0.539) 22.949 15.609 ( -7.184 -1.572 3.804) 8.279 19.268 ( 0.404 10.241 21.928) 24.205 20.441 ( 3.627 -7.436 -15.966) 17.983 22.177 ( 11.707 3.631 -8.593) 14.969 ======================= Grid point 39 (29/891) ======================= q-point: (-0.14 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -36.158 -11.705 -22.733) 44.285 2.530 ( -19.864 -3.876 -1.114) 20.269 3.125 ( -10.650 -3.334 -5.731) 12.545 5.797 ( -36.517 -6.154 3.110) 37.162 8.057 ( -77.077 -26.008 1.068) 81.353 12.672 ( -2.013 7.431 -5.590) 9.514 12.866 ( 8.441 0.784 8.060) 11.697 14.056 ( -13.301 -10.652 1.238) 17.086 15.486 ( -7.107 -0.967 3.102) 7.814 19.428 ( -2.168 8.497 34.382) 35.483 20.407 ( 8.525 -5.904 -32.106) 33.740 22.367 ( 9.839 2.642 -5.630) 11.639 ======================= Grid point 40 (30/891) ======================= q-point: (-0.10 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -33.022 -6.991 -20.011) 39.240 2.072 ( -29.914 -4.282 -0.827) 30.230 2.809 ( -22.599 -4.762 -2.922) 23.280 5.221 ( -26.954 -3.531 1.820) 27.245 6.598 ( -71.086 -15.419 0.813) 72.744 12.653 ( -5.649 7.119 -4.103) 9.972 12.907 ( -2.937 -7.281 4.432) 9.016 13.865 ( -2.199 -2.184 1.943) 3.658 15.374 ( -6.148 -0.481 1.875) 6.445 19.537 ( -5.433 4.607 41.447) 42.054 20.438 ( 12.652 -3.010 -41.565) 43.552 22.524 ( 7.875 1.464 -2.705) 8.455 ======================= Grid point 41 (31/891) ======================= q-point: (-0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -27.398 -0.000 0.000) 27.398 1.460 ( -39.148 -0.000 0.000) 39.148 2.211 ( -45.640 -0.000 0.000) 45.640 4.845 ( -16.294 -0.000 0.000) 16.294 5.486 ( -50.353 -0.000 0.000) 50.353 12.602 ( -4.228 -0.000 0.000) 4.228 12.741 ( -9.702 -0.000 0.000) 9.702 13.887 ( 3.335 0.000 -0.000) 3.335 15.285 ( -4.434 -0.000 0.000) 4.434 19.551 ( -4.341 -0.000 0.000) 4.341 20.545 ( 10.508 0.000 -0.000) 10.508 22.641 ( 5.568 0.000 -0.000) 5.568 ======================= Grid point 44 (32/891) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.000 16.316 70.967) 72.819 1.684 ( -0.000 35.683 6.749) 36.315 2.494 ( 0.000 37.153 13.730) 39.608 4.896 ( -0.000 18.741 -6.122) 19.715 5.729 ( -0.000 59.833 -7.605) 60.314 12.524 ( -0.000 -0.297 -0.429) 0.522 12.899 ( -0.000 11.924 1.882) 12.071 13.809 ( -0.000 -0.080 -11.485) 11.485 15.327 ( -0.000 5.457 1.041) 5.556 18.934 ( -0.000 34.981 -82.381) 89.500 21.134 ( 0.000 -44.566 83.508) 94.655 22.669 ( 0.000 -6.517 10.618) 12.458 ======================= Grid point 45 (33/891) ======================= q-point: ( 0.14 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 6.771 19.129 59.242) 62.621 2.123 ( 10.405 27.742 6.785) 30.396 2.906 ( 7.594 21.606 17.817) 29.016 5.174 ( 10.196 25.652 -7.276) 28.546 6.542 ( 23.220 69.590 -7.252) 73.719 12.606 ( 9.236 -0.824 -1.426) 9.382 12.936 ( -5.442 4.986 -2.289) 7.727 13.804 ( -0.206 6.853 -7.996) 10.533 15.391 ( 0.518 6.748 0.104) 6.768 19.075 ( 2.618 27.393 -57.681) 63.909 20.877 ( -4.921 -36.855 54.711) 66.149 22.610 ( -2.570 -7.791 12.661) 15.087 ======================= Grid point 46 (34/891) ======================= q-point: ( 0.19 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 13.586 19.636 40.817) 47.288 2.542 ( 9.932 18.727 5.858) 21.992 3.249 ( 7.086 12.620 25.715) 29.508 5.690 ( 19.011 33.894 -7.627) 39.603 7.741 ( 40.611 68.252 -6.254) 79.666 12.676 ( -0.739 -9.866 -12.473) 15.920 12.886 ( 0.195 6.400 3.067) 7.100 13.915 ( 5.115 11.306 -2.891) 12.741 15.476 ( 1.510 7.480 -1.339) 7.747 19.193 ( -0.634 20.835 -38.666) 43.927 20.608 ( -3.050 -28.598 31.317) 42.520 22.506 ( -4.767 -8.908 14.499) 17.672 ======================= Grid point 47 (35/891) ======================= q-point: ( 0.24 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 11.878 12.684 11.118) 20.630 2.865 ( 9.841 13.689 8.087) 18.699 3.588 ( 9.368 13.393 41.914) 44.988 6.394 ( 23.669 40.467 -7.286) 47.444 9.123 ( 50.713 60.557 -5.739) 79.195 12.365 ( -12.157 -17.165 -16.607) 26.799 13.024 ( 0.138 12.496 5.770) 13.764 14.172 ( 14.507 8.098 -0.718) 16.630 15.573 ( 2.275 6.962 -2.407) 7.710 19.225 ( -6.159 15.886 -25.649) 30.793 20.422 ( 2.124 -20.676 13.806) 24.952 22.361 ( -6.686 -10.022 16.031) 20.053 ======================= Grid point 48 (36/891) ======================= q-point: ( 0.29 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( 5.345 6.502 1.871) 8.622 3.142 ( 7.821 6.908 -1.306) 10.516 4.104 ( 17.389 18.895 50.863) 56.978 7.190 ( 24.054 44.220 -6.800) 50.796 10.530 ( 54.318 49.600 -7.327) 73.920 11.892 ( -16.674 -19.314 -14.709) 29.452 13.132 ( -6.327 16.906 6.612) 19.224 14.532 ( 21.525 3.203 -0.086) 21.762 15.668 ( 2.839 5.252 -3.257) 6.801 19.157 ( -10.308 12.412 -18.731) 24.722 20.357 ( 6.803 -14.090 2.893) 15.912 22.178 ( -8.559 -11.163 17.137) 22.171 ======================= Grid point 49 (37/891) ======================= q-point: ( 0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( 3.555 3.845 0.919) 5.317 3.271 ( 3.625 2.844 -3.084) 5.544 4.771 ( 22.405 20.004 45.350) 54.394 7.990 ( 21.363 45.579 -6.376) 50.739 11.209 ( -13.990 -20.172 -23.213) 33.785 11.988 ( 47.268 39.102 2.734) 61.406 13.178 ( -10.826 18.820 6.517) 22.668 14.937 ( 24.225 0.703 0.495) 24.240 15.750 ( 3.487 2.971 -4.025) 6.099 19.032 ( -11.287 9.967 -16.572) 22.391 20.373 ( 8.523 -10.141 -2.219) 13.432 21.956 ( -10.474 -12.105 17.831) 23.962 ======================= Grid point 50 (38/891) ======================= q-point: ( 0.38 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( 2.555 2.165 0.430) 3.376 3.323 ( 1.483 1.306 -2.146) 2.917 5.468 ( 24.165 18.499 37.503) 48.297 8.731 ( 16.453 44.860 -5.918) 48.147 10.591 ( -22.890 -23.411 -18.332) 37.524 13.079 ( 9.496 22.989 3.997) 25.192 13.280 ( 25.642 28.882 1.536) 38.653 15.357 ( 24.662 1.210 1.357) 24.729 15.821 ( 4.267 0.816 -4.451) 6.220 18.880 ( -10.773 5.985 -15.803) 20.040 20.419 ( 8.197 -7.754 -4.917) 12.308 21.698 ( -12.123 -12.339 18.226) 25.127 ======================= Grid point 51 (39/891) ======================= q-point: ( 0.43 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( 1.845 1.048 0.131) 2.125 3.342 ( 0.420 0.678 -1.175) 1.420 6.134 ( 23.908 15.808 29.555) 41.170 9.345 ( 8.544 38.165 -5.649) 39.515 9.943 ( -22.913 -16.769 -15.322) 32.264 13.077 ( -15.381 17.113 4.290) 23.406 14.240 ( 38.671 23.122 -0.369) 45.058 15.808 ( 25.458 4.507 1.811) 25.917 15.886 ( 5.184 -0.330 -3.539) 6.285 18.688 ( -9.994 -1.325 -14.549) 17.700 20.464 ( 6.851 -5.539 -7.411) 11.513 21.424 ( -12.659 -11.316 18.356) 25.004 ======================= Grid point 52 (40/891) ======================= q-point: ( 0.48 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( 1.236 0.330 -0.032) 1.280 3.348 ( -0.037 0.407 -0.470) 0.623 6.718 ( 20.461 11.418 20.427) 31.085 9.247 ( -18.505 -17.435 -12.054) 28.137 9.905 ( -1.673 39.936 -3.900) 40.160 12.984 ( -15.537 16.291 1.897) 22.592 14.923 ( 22.653 11.068 0.629) 25.220 15.937 ( 5.093 -2.931 -3.331) 6.755 16.342 ( 25.639 11.917 3.056) 28.437 18.437 ( -7.722 -11.496 -11.892) 18.254 20.499 ( 5.042 -2.688 -10.263) 11.746 21.175 ( -10.959 -9.166 17.886) 22.891 ======================= Grid point 53 (41/891) ======================= q-point: ( 0.52 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( 0.608 -0.091 -0.005) 0.615 3.348 ( -0.126 0.280 -0.087) 0.319 7.075 ( 6.476 1.706 5.932) 8.946 8.856 ( -5.476 -8.778 -3.470) 10.912 10.170 ( -11.511 36.305 -1.006) 38.100 12.900 ( -13.248 16.773 -1.362) 21.418 15.236 ( 7.932 1.666 2.461) 8.470 15.975 ( 4.342 -4.117 -1.525) 6.175 16.805 ( 9.663 12.191 0.111) 15.556 18.201 ( 3.771 -18.770 -5.634) 19.957 20.531 ( 3.949 1.006 -12.575) 13.219 20.992 ( -6.938 -7.193 15.837) 18.727 ======================= Grid point 54 (42/891) ======================= q-point: (-0.43 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( -0.196 -0.377 0.257) 0.497 3.350 ( 0.045 0.268 -0.003) 0.272 6.928 ( -16.179 -10.442 -10.508) 21.936 8.958 ( 17.775 3.857 7.894) 19.828 10.194 ( -23.681 29.290 1.819) 37.710 12.870 ( -9.732 18.850 -4.790) 21.748 15.251 ( -4.862 -5.980 4.030) 8.697 15.993 ( 2.877 -4.563 0.477) 5.415 16.755 ( -17.704 -4.356 -5.280) 18.981 18.282 ( 20.701 -8.917 3.453) 22.803 20.588 ( 4.325 3.138 -11.206) 12.415 20.895 ( -1.429 -5.343 9.945) 11.379 ======================= Grid point 55 (43/891) ======================= q-point: (-0.38 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( -1.169 -0.572 0.478) 1.386 3.355 ( 0.222 0.269 0.147) 0.378 6.389 ( -26.893 -14.117 -17.307) 34.958 9.438 ( 25.453 7.472 10.041) 28.363 9.974 ( -30.890 22.084 4.034) 38.186 12.905 ( -7.533 21.126 -7.160) 23.544 14.957 ( -20.980 -14.564 4.239) 25.889 15.983 ( 0.658 -4.423 1.717) 4.790 16.273 ( -22.016 -15.631 -4.168) 27.320 18.601 ( 17.257 1.213 6.614) 18.521 20.632 ( 1.167 -2.771 0.189) 3.012 20.934 ( 8.518 1.250 -4.833) 9.873 ======================= Grid point 56 (44/891) ======================= q-point: (-0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( -2.309 -0.660 0.520) 2.457 3.362 ( 0.127 0.127 0.610) 0.636 5.703 ( -31.796 -14.162 -20.005) 40.146 9.433 ( -38.481 12.423 4.510) 40.687 10.156 ( 29.714 10.489 9.367) 32.874 12.969 ( -7.721 21.948 -8.082) 24.630 14.271 ( -39.970 -22.657 2.821) 46.031 15.767 ( -15.860 -17.554 -2.440) 23.784 15.955 ( -1.596 -4.441 4.324) 6.401 18.882 ( 8.954 7.318 7.240) 13.644 20.584 ( -0.586 -8.293 4.804) 9.602 21.150 ( 15.140 4.684 -11.423) 19.536 ======================= Grid point 57 (45/891) ======================= q-point: (-0.29 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( -3.801 -0.690 0.451) 3.890 3.362 ( -0.436 -0.242 1.530) 1.609 4.951 ( -35.140 -13.111 -21.513) 43.238 8.817 ( -46.739 8.158 4.005) 47.614 10.819 ( 34.249 7.999 8.249) 36.126 12.982 ( -16.536 12.681 -7.153) 22.032 13.277 ( -46.633 -17.610 1.200) 49.861 15.347 ( -13.174 -19.197 0.469) 23.287 15.894 ( -3.019 -3.104 3.922) 5.842 19.091 ( 2.915 11.714 7.855) 14.402 20.493 ( -0.191 -11.005 2.763) 11.348 21.433 ( 16.664 4.246 -10.978) 20.402 ======================= Grid point 58 (46/891) ======================= q-point: (-0.24 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( -5.935 -0.743 0.319) 5.990 3.346 ( -1.975 -0.970 3.713) 4.316 4.161 ( -37.366 -11.120 -23.009) 45.269 8.075 ( -49.682 4.040 3.329) 49.957 11.476 ( 32.959 6.021 5.612) 33.971 11.964 ( -63.341 -25.806 2.052) 68.427 13.067 ( -11.023 19.303 -6.053) 23.038 14.944 ( -13.162 -19.419 1.461) 23.505 15.816 ( -4.632 -1.962 3.372) 6.056 19.265 ( 0.209 14.635 9.737) 17.579 20.382 ( 0.577 -12.879 -1.951) 13.038 21.714 ( 15.778 3.178 -8.782) 18.335 ======================= Grid point 59 (47/891) ======================= q-point: (-0.19 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( -9.598 -1.097 0.150) 9.661 3.248 ( -19.587 -5.978 12.687) 24.090 3.413 ( -23.100 -3.705 -29.588) 37.720 7.270 ( -49.648 0.922 2.473) 49.718 10.597 ( -71.986 -20.869 0.178) 74.950 12.063 ( 29.041 3.181 5.456) 29.720 13.036 ( -11.062 15.028 -4.262) 19.141 14.544 ( -13.967 -16.519 1.502) 21.685 15.720 ( -6.110 -0.962 2.547) 6.689 19.446 ( -0.057 15.877 14.183) 21.289 20.254 ( 1.725 -13.974 -9.587) 17.034 21.969 ( 13.995 2.173 -5.956) 15.365 ======================= Grid point 60 (48/891) ======================= q-point: (-0.14 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -39.559 -5.754 -7.411) 40.656 2.801 ( -15.125 -0.618 -0.487) 15.146 3.236 ( -6.526 -0.767 -3.598) 7.491 6.469 ( -46.045 -0.684 1.413) 46.072 9.177 ( -77.635 -12.488 0.300) 78.634 12.525 ( 21.444 1.849 1.992) 21.615 12.958 ( -10.128 6.898 -1.296) 12.322 14.186 ( -13.704 -9.050 0.928) 16.448 15.608 ( -7.104 -0.316 1.472) 7.262 19.642 ( -0.783 13.880 21.261) 25.402 20.130 ( 4.804 -12.633 -19.534) 23.754 22.190 ( 12.039 1.180 -2.926) 12.445 ======================= Grid point 61 (49/891) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -38.622 -0.000 0.000) 38.622 2.492 ( -21.932 -0.000 0.000) 21.932 3.073 ( -12.380 -0.000 0.000) 12.380 5.755 ( -38.125 -0.000 0.000) 38.125 7.796 ( -78.789 -0.000 0.000) 78.789 12.813 ( 10.409 0.000 -0.000) 10.409 12.821 ( -8.938 -0.000 0.000) 8.938 13.945 ( -9.395 -0.000 0.000) 9.395 15.488 ( -7.179 -0.000 0.000) 7.179 19.715 ( -4.559 -0.000 0.000) 4.559 20.152 ( 10.827 0.000 -0.000) 10.827 22.377 ( 10.042 0.000 -0.000) 10.042 ======================= Grid point 66 (50/891) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 0.000 19.416 50.500) 54.104 2.317 ( 0.000 25.325 7.672) 26.461 3.107 ( 0.000 18.611 24.646) 30.884 5.327 ( -0.000 29.973 -8.128) 31.056 7.062 ( -0.000 79.338 -8.004) 79.741 12.513 ( -0.000 -0.599 -0.535) 0.802 12.963 ( -0.000 -5.065 -10.605) 11.753 13.915 ( -0.000 16.824 -2.347) 16.987 15.457 ( -0.000 7.178 1.265) 7.288 19.178 ( -0.000 27.854 -48.170) 55.643 20.680 ( 0.000 -38.428 42.319) 57.163 22.588 ( 0.000 -9.123 14.363) 17.016 ======================= Grid point 67 (51/891) ======================= q-point: ( 0.19 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 5.504 18.525 33.329) 38.527 2.610 ( 5.602 18.602 7.192) 20.716 3.382 ( 3.334 15.115 35.050) 38.315 5.729 ( 12.856 35.873 -8.317) 39.004 7.964 ( 17.004 79.611 -7.728) 81.773 12.545 ( 2.855 -4.864 -5.504) 7.881 12.848 ( 2.166 -7.441 -10.033) 12.678 14.076 ( -3.170 21.096 1.414) 21.380 15.535 ( 0.299 7.745 0.593) 7.773 19.314 ( -0.021 23.683 -36.110) 43.184 20.414 ( -0.812 -33.476 26.730) 42.846 22.516 ( -2.420 -10.241 15.801) 18.984 ======================= Grid point 68 (52/891) ======================= q-point: ( 0.24 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 7.502 13.173 11.557) 19.062 2.881 ( 6.375 12.743 6.716) 15.753 3.725 ( 6.411 16.326 47.537) 50.670 6.384 ( 22.382 41.663 -7.761) 47.927 9.075 ( 29.341 72.289 -7.563) 78.383 12.332 ( -9.231 -16.207 -16.384) 24.825 12.978 ( 14.307 1.967 1.076) 14.482 14.221 ( -3.228 19.543 2.017) 19.910 15.616 ( 0.502 7.290 -0.757) 7.347 19.413 ( -3.282 19.531 -25.940) 32.636 20.184 ( 2.222 -26.784 12.855) 29.792 22.399 ( -4.597 -11.283 16.980) 20.899 ======================= Grid point 69 (53/891) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 5.031 7.171 1.089) 8.827 3.101 ( 5.862 7.849 2.364) 10.078 4.194 ( 11.766 19.651 52.568) 57.341 7.201 ( 25.742 46.295 -7.059) 53.438 10.256 ( 37.117 58.716 -9.389) 70.096 11.920 ( -13.374 -17.556 -14.722) 26.530 13.266 ( 11.377 8.554 4.417) 14.904 14.374 ( 2.672 13.320 0.663) 13.601 15.683 ( 0.643 5.488 -2.308) 5.988 19.417 ( -9.413 15.979 -18.660) 26.308 20.065 ( 8.246 -20.055 2.351) 21.811 22.241 ( -6.587 -12.265 17.842) 22.631 ======================= Grid point 70 (54/891) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 3.498 4.028 -0.634) 5.372 3.238 ( 3.569 4.135 -0.443) 5.480 4.773 ( 16.586 20.451 48.177) 54.903 8.067 ( 23.933 49.576 -6.545) 55.438 11.077 ( 5.745 -2.943 -24.897) 25.720 11.778 ( 19.546 30.378 2.798) 36.231 13.505 ( -0.081 16.683 6.267) 17.821 14.595 ( 14.095 4.429 -0.884) 14.801 15.730 ( 1.114 3.203 -3.900) 5.168 19.310 ( -13.532 12.370 -15.313) 23.887 20.072 ( 11.908 -14.633 -3.222) 19.139 22.043 ( -8.475 -12.976 18.354) 24.022 ======================= Grid point 71 (55/891) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.182 ( 2.664 2.153 -1.023) 3.575 3.308 ( 1.694 2.236 -0.648) 2.879 5.394 ( 19.414 18.929 40.612) 48.832 8.897 ( 18.640 50.843 -6.204) 54.507 10.647 ( -17.318 -23.562 -20.234) 35.560 12.774 ( 40.976 40.028 0.942) 57.290 13.613 ( -10.817 21.751 5.945) 25.009 14.928 ( 23.915 -1.310 -0.809) 23.964 15.765 ( 2.049 1.383 -5.069) 5.640 19.125 ( -15.066 7.212 -14.028) 21.812 20.142 ( 12.214 -10.740 -5.751) 17.251 21.813 ( -10.158 -13.015 18.516) 24.808 ======================= Grid point 72 (56/891) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( 2.103 0.972 -1.068) 2.551 3.341 ( 0.527 1.269 -0.246) 1.396 6.003 ( 20.478 16.136 32.409) 41.594 9.574 ( 6.412 36.040 -7.603) 37.387 10.105 ( -15.253 -7.180 -14.715) 22.377 13.550 ( -12.269 24.189 3.850) 27.395 13.846 ( 33.928 27.559 0.883) 43.720 15.358 ( 29.251 -1.581 0.081) 29.294 15.802 ( 3.305 0.353 -5.043) 6.039 18.859 ( -15.852 -1.262 -12.704) 20.354 20.232 ( 10.907 -7.033 -7.731) 15.106 21.563 ( -11.224 -12.055 18.325) 24.640 ======================= Grid point 73 (57/891) ======================= q-point: ( 0.48 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( 1.642 0.268 -0.964) 1.923 3.354 ( -0.090 0.729 0.162) 0.752 6.558 ( 19.352 12.188 23.547) 32.825 9.342 ( -18.105 -19.006 -13.061) 29.319 10.350 ( 0.856 50.669 -4.632) 50.888 13.475 ( -19.859 21.748 1.915) 29.513 14.624 ( 28.289 16.242 1.430) 32.651 15.790 ( 12.061 -2.447 -6.076) 13.725 15.957 ( 26.173 5.208 2.789) 26.831 18.492 ( -16.143 -12.385 -10.922) 23.093 20.323 ( 8.890 -3.269 -9.906) 13.706 21.316 ( -11.075 -10.296 17.778) 23.339 ======================= Grid point 74 (58/891) ======================= q-point: ( 0.52 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( 1.191 -0.101 -0.758) 1.415 3.356 ( -0.322 0.413 0.428) 0.677 6.974 ( 12.002 5.276 11.866) 17.683 8.878 ( -11.614 -13.819 -7.086) 19.392 10.768 ( -9.441 49.896 -2.171) 50.828 13.352 ( -18.951 21.016 -1.019) 28.317 15.087 ( 14.473 4.894 3.314) 15.634 15.853 ( 4.881 -3.221 -4.619) 7.452 16.587 ( 31.511 11.401 2.631) 33.613 18.033 ( -12.749 -24.557 -8.289) 28.884 20.411 ( 6.991 0.467 -12.376) 14.222 21.101 ( -9.388 -8.685 16.942) 21.228 ======================= Grid point 75 (59/891) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( 0.632 -0.302 -0.399) 0.806 3.355 ( -0.278 0.289 0.470) 0.618 7.029 ( -7.741 -6.102 -3.871) 10.589 8.760 ( 8.714 -1.837 3.813) 9.687 10.952 ( -23.164 43.800 0.701) 49.553 13.266 ( -14.895 22.467 -4.400) 27.312 15.241 ( 2.020 -3.287 4.659) 6.049 15.888 ( 4.469 -3.521 -2.206) 6.102 16.968 ( -8.264 2.176 -2.876) 9.017 17.760 ( 21.988 -21.637 -0.353) 30.851 20.501 ( 5.948 3.814 -14.711) 16.319 20.933 ( -6.330 -8.162 15.796) 18.874 ======================= Grid point 76 (60/891) ======================= q-point: (-0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( -0.186 -0.452 0.135) 0.507 3.357 ( -0.022 0.318 0.291) 0.432 6.640 ( -22.708 -11.584 -12.218) 28.269 9.092 ( 24.088 4.518 8.284) 25.871 10.836 ( -36.095 34.516 2.899) 50.026 13.270 ( -10.835 25.686 -6.976) 28.737 15.116 ( -11.142 -10.418 4.775) 15.984 15.917 ( 3.030 -3.273 -0.026) 4.461 16.483 ( -25.315 -21.172 -3.958) 33.238 18.203 ( 31.945 -0.986 3.785) 32.184 20.585 ( 3.018 3.286 -12.274) 13.060 20.839 ( 0.554 -6.293 10.436) 12.199 ======================= Grid point 77 (61/891) ======================= q-point: (-0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( -1.208 -0.481 0.534) 1.405 3.362 ( 0.168 0.296 0.236) 0.414 6.045 ( -29.483 -11.574 -14.240) 34.727 9.615 ( 27.406 5.487 7.569) 28.956 10.462 ( -41.796 24.846 3.525) 48.751 13.339 ( -9.977 27.639 -7.849) 30.415 14.665 ( -28.867 -17.231 3.398) 33.790 15.842 ( -15.801 -20.639 -4.520) 26.383 15.944 ( -2.551 -6.878 5.219) 9.003 18.703 ( 22.796 5.845 4.057) 23.881 20.547 ( -3.011 -5.916 0.742) 6.680 20.934 ( 11.311 1.433 -4.365) 12.209 ======================= Grid point 78 (62/891) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( -2.428 -0.387 0.637) 2.540 3.367 ( 0.042 0.115 0.506) 0.521 5.369 ( -33.831 -9.918 -14.052) 37.952 9.721 ( -40.873 13.359 3.866) 43.174 10.372 ( 24.215 7.770 5.100) 25.938 13.394 ( -13.430 24.928 -7.350) 29.254 13.865 ( -43.446 -18.815 1.661) 47.374 15.362 ( -12.776 -23.005 1.000) 26.334 15.911 ( -1.113 -2.463 3.131) 4.136 19.095 ( 13.303 10.822 4.011) 17.611 20.415 ( -3.245 -10.744 2.812) 11.570 21.169 ( 15.433 2.824 -7.287) 17.299 ======================= Grid point 79 (63/891) ======================= q-point: (-0.24 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( -4.035 -0.260 0.525) 4.077 3.366 ( -0.527 -0.173 1.078) 1.212 4.651 ( -37.270 -7.432 -12.425) 39.984 9.014 ( -53.008 8.607 2.383) 53.755 10.967 ( 34.279 3.907 3.825) 34.713 12.766 ( -56.322 -16.293 0.306) 58.632 13.458 ( -13.809 20.356 -5.073) 25.115 14.961 ( -11.193 -19.888 2.230) 22.930 15.868 ( -2.688 -1.502 2.365) 3.883 19.391 ( 6.218 14.627 4.692) 16.572 20.254 ( -2.308 -13.816 0.355) 14.012 21.445 ( 16.570 2.052 -5.778) 17.668 ======================= Grid point 80 (64/891) ======================= q-point: (-0.19 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( -6.345 -0.178 0.283) 6.354 3.349 ( -1.723 -0.421 2.072) 2.728 3.918 ( -39.762 -4.050 -9.210) 41.016 8.173 ( -54.119 3.196 1.223) 54.227 11.570 ( 23.338 3.706 -6.395) 24.481 11.608 ( -56.098 -12.202 8.848) 58.087 13.376 ( -14.153 12.105 -2.953) 18.856 14.620 ( -11.535 -11.993 1.548) 16.712 15.804 ( -4.277 -0.614 1.278) 4.506 19.626 ( 2.510 16.153 6.884) 17.737 20.077 ( -1.177 -15.351 -4.419) 16.018 21.721 ( 15.819 1.024 -3.031) 16.139 ======================= Grid point 81 (65/891) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( -11.073 -0.000 0.000) 11.073 3.207 ( -39.810 -0.000 0.000) 39.810 3.309 ( -3.466 -0.000 0.000) 3.466 7.296 ( -51.870 -0.000 0.000) 51.870 10.385 ( -73.210 -0.000 0.000) 73.210 12.109 ( 28.923 0.000 -0.000) 28.923 13.198 ( -13.342 -0.000 0.000) 13.342 14.361 ( -12.712 -0.000 0.000) 12.712 15.718 ( -5.899 -0.000 0.000) 5.899 19.795 ( 0.723 0.000 -0.000) 0.723 19.939 ( 1.066 0.000 -0.000) 1.066 21.973 ( 14.107 0.000 -0.000) 14.107 ======================= Grid point 88 (66/891) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 0.000 15.878 20.005) 25.540 2.752 ( 0.000 15.685 7.440) 17.361 3.621 ( 0.000 16.580 45.230) 48.173 5.949 ( -0.000 38.629 -8.587) 39.572 8.600 ( -0.000 82.563 -8.452) 82.994 12.493 ( -0.000 -1.275 -0.536) 1.383 12.657 ( -0.000 -15.537 -18.347) 24.042 14.344 ( -0.000 24.244 4.172) 24.600 15.613 ( -0.000 8.088 1.276) 8.188 19.429 ( -0.000 18.233 -28.610) 33.926 20.175 ( 0.000 -28.445 16.281) 32.774 22.478 ( 0.000 -11.325 16.888) 20.334 ======================= Grid point 89 (67/891) ======================= q-point: ( 0.24 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( 2.908 11.614 6.991) 13.864 2.935 ( 3.270 11.430 6.609) 13.602 3.955 ( 3.179 18.606 52.316) 55.617 6.440 ( 14.845 41.687 -8.105) 44.987 9.454 ( 11.132 77.447 -9.291) 78.792 12.293 ( -9.494 -14.212 -14.593) 22.474 12.689 ( 16.061 -4.090 -3.589) 16.958 14.543 ( -5.653 23.880 4.729) 24.991 15.690 ( -0.584 7.810 0.571) 7.852 19.499 ( 2.571 5.869 -18.922) 19.978 19.978 ( -1.741 -14.662 3.434) 15.159 22.393 ( -2.375 -12.254 17.770) 21.715 ======================= Grid point 90 (68/891) ======================= q-point: ( 0.29 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 3.330 7.208 -0.041) 7.940 3.105 ( 3.842 7.630 4.371) 9.596 4.380 ( 7.113 20.403 53.164) 57.387 7.181 ( 25.488 44.378 -7.249) 51.688 10.362 ( 17.974 62.017 -12.659) 65.799 11.937 ( -11.027 -11.898 -12.545) 20.507 12.988 ( 22.213 -0.917 0.228) 22.233 14.650 ( -9.250 22.204 3.911) 24.370 15.740 ( -1.416 6.023 -1.256) 6.313 19.533 ( 6.310 -4.434 -12.416) 14.616 19.845 ( -4.659 -1.886 -5.552) 7.489 22.263 ( -4.584 -13.004 18.404) 22.997 ======================= Grid point 91 (69/891) ======================= q-point: ( 0.33 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.085 ( 2.936 4.169 -2.072) 5.504 3.230 ( 2.841 4.742 2.193) 5.947 4.877 ( 11.152 20.565 48.768) 54.089 8.071 ( 29.319 47.056 -6.534) 55.826 10.921 ( 3.966 3.860 -24.705) 25.317 11.877 ( 6.737 32.976 1.411) 33.686 13.387 ( 23.413 2.167 2.660) 23.664 14.697 ( -9.429 18.928 1.927) 21.234 15.754 ( -1.397 3.609 -3.584) 5.274 19.540 ( 0.452 -2.213 -11.310) 11.533 19.759 ( 0.718 -2.579 -7.909) 8.350 22.094 ( -6.581 -13.370 18.716) 23.924 ======================= Grid point 92 (70/891) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( 2.505 2.248 -2.349) 4.105 3.307 ( 1.540 2.877 1.146) 3.458 5.412 ( 14.285 18.987 41.789) 48.072 8.997 ( 26.518 49.349 -6.127) 56.357 10.606 ( -11.972 -22.402 -21.803) 33.475 12.634 ( 25.949 47.415 1.598) 54.075 13.792 ( 16.032 8.410 5.170) 18.828 14.735 ( -2.563 11.608 -1.070) 11.936 15.752 ( -0.345 1.963 -5.401) 5.757 19.392 ( -12.649 0.321 -10.801) 16.636 19.807 ( 11.729 -6.413 -8.574) 15.882 21.893 ( -8.329 -13.053 18.604) 24.205 ======================= Grid point 93 (71/891) ======================= q-point: ( 0.43 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.202 ( 2.152 1.046 -2.104) 3.186 3.348 ( 0.505 1.716 0.789) 1.955 5.946 ( 16.166 16.201 33.824) 40.840 9.742 ( 5.105 22.837 -9.764) 25.356 10.209 ( -1.122 6.342 -13.527) 14.982 13.533 ( 30.194 37.659 0.956) 48.278 14.051 ( -4.246 18.934 5.948) 20.296 14.892 ( 17.391 -0.648 -2.871) 17.638 15.757 ( 1.134 1.268 -5.944) 6.183 19.083 ( -17.137 -6.495 -9.594) 20.686 19.942 ( 12.915 -4.055 -9.331) 16.441 21.672 ( -9.680 -11.933 17.997) 23.664 ======================= Grid point 94 (72/891) ======================= q-point: ( 0.48 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.237 ( 1.853 0.329 -1.720) 2.550 3.365 ( -0.150 0.979 0.723) 1.226 6.445 ( 16.502 12.505 25.281) 32.677 9.411 ( -16.988 -19.806 -13.543) 29.399 10.767 ( 10.528 54.384 -5.146) 55.632 14.048 ( -19.189 24.670 2.732) 31.374 14.340 ( 27.156 22.862 1.969) 35.553 15.293 ( 33.167 -4.550 -2.411) 33.564 15.788 ( 3.758 1.096 -4.471) 5.943 18.642 ( -19.713 -15.609 -8.226) 26.456 20.096 ( 11.578 -1.371 -10.075) 15.409 21.445 ( -10.353 -10.293 16.959) 22.377 ======================= Grid point 95 (73/891) ======================= q-point: ( 0.52 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( 1.562 -0.053 -1.320) 2.046 3.369 ( -0.460 0.520 0.750) 1.022 6.858 ( 13.348 7.264 15.399) 21.635 8.928 ( -14.184 -16.081 -8.876) 23.207 11.382 ( -1.131 56.996 -3.217) 57.098 13.917 ( -22.770 22.930 -0.410) 32.318 14.885 ( 17.926 9.240 3.956) 20.552 15.699 ( 11.841 -2.736 -7.764) 14.421 16.057 ( 34.523 3.009 2.605) 34.751 18.079 ( -21.616 -24.630 -6.694) 33.447 20.242 ( 9.692 1.005 -11.112) 14.779 21.227 ( -10.113 -8.773 15.760) 20.679 ======================= Grid point 96 (74/891) ======================= q-point: ( 0.57 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( 1.209 -0.230 -0.918) 1.535 3.366 ( -0.495 0.283 0.757) 0.948 7.049 ( 0.594 -1.325 2.506) 2.896 8.657 ( -0.788 -6.799 -0.437) 6.858 11.774 ( -16.829 54.112 -0.492) 56.671 13.765 ( -19.768 22.540 -3.775) 30.218 15.153 ( 7.711 -0.650 5.705) 9.614 15.769 ( 5.091 -2.268 -5.694) 7.967 16.788 ( 41.338 6.424 2.203) 41.892 17.416 ( -21.156 -33.599 -4.859) 40.001 20.378 ( 8.139 3.305 -12.683) 15.428 21.028 ( -8.986 -8.099 14.886) 19.182 ======================= Grid point 97 (75/891) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( 0.683 -0.321 -0.453) 0.880 3.364 ( -0.326 0.237 0.635) 0.752 6.848 ( -16.485 -8.088 -7.105) 19.689 8.791 ( 17.110 1.254 5.739) 18.090 11.825 ( -34.625 44.133 2.222) 56.139 13.705 ( -13.136 25.972 -6.746) 29.876 15.165 ( -3.460 -7.253 5.567) 9.776 15.821 ( 4.840 -1.949 -3.060) 6.048 16.665 ( -26.113 -30.948 -2.734) 40.585 17.567 ( 42.848 0.689 2.177) 42.909 20.509 ( 6.813 5.597 -15.135) 17.516 20.856 ( -6.654 -8.761 15.138) 18.714 ======================= Grid point 98 (76/891) ======================= q-point: (-0.33 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.294 ( -0.104 -0.356 0.056) 0.375 3.364 ( -0.053 0.267 0.378) 0.466 6.379 ( -25.661 -8.542 -9.190) 28.564 9.208 ( 26.557 3.179 5.716) 27.351 11.499 ( -46.892 30.471 2.917) 55.999 13.769 ( -10.190 29.706 -7.572) 32.306 14.923 ( -17.218 -11.146 4.174) 20.932 15.836 ( -3.496 -10.661 -6.123) 12.782 15.965 ( -15.366 -23.742 5.115) 28.739 18.258 ( 35.922 3.754 2.050) 36.176 20.574 ( -2.843 1.958 -9.918) 10.501 20.779 ( 5.149 -5.118 8.449) 11.140 ======================= Grid point 99 (77/891) ======================= q-point: (-0.29 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( -1.115 -0.275 0.350) 1.201 3.368 ( 0.096 0.204 0.217) 0.313 5.803 ( -31.001 -6.523 -8.068) 32.691 9.729 ( 29.058 2.847 4.031) 29.474 10.909 ( -50.450 17.899 2.108) 53.573 13.852 ( -12.192 28.207 -6.649) 31.440 14.372 ( -35.115 -12.990 1.774) 37.483 15.335 ( -12.504 -27.074 0.916) 29.836 15.902 ( 0.635 -1.655 2.082) 2.734 18.842 ( 27.488 5.857 1.732) 28.158 20.435 ( -7.729 -5.355 0.560) 9.419 20.937 ( 12.703 0.888 -2.517) 12.980 ======================= Grid point 100 (78/891) ======================= q-point: (-0.24 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( -2.385 -0.124 0.291) 2.406 3.371 ( -0.036 0.051 0.217) 0.226 5.181 ( -35.033 -3.588 -5.109) 35.585 9.931 ( -35.811 5.526 1.679) 36.274 10.506 ( 14.540 3.609 1.413) 15.048 13.534 ( -48.691 -6.759 -0.016) 49.158 13.864 ( -14.388 15.605 -3.533) 21.518 14.956 ( -8.774 -16.320 1.992) 18.636 15.892 ( -1.003 -0.791 1.153) 1.721 19.297 ( 19.078 6.564 1.289) 20.216 20.243 ( -8.227 -6.376 0.852) 10.443 21.178 ( 15.454 0.939 -2.477) 15.680 ======================= Grid point 101 (79/891) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( -4.060 -0.000 0.000) 4.060 3.367 ( -0.544 -0.000 0.000) 0.544 4.542 ( -38.137 -0.000 0.000) 38.137 9.114 ( -55.131 -0.000 0.000) 55.131 11.016 ( 34.137 0.000 -0.000) 34.137 12.597 ( -58.181 -0.000 0.000) 58.181 13.688 ( -15.396 -0.000 0.000) 15.396 14.731 ( -9.306 -0.000 0.000) 9.306 15.860 ( -2.568 -0.000 0.000) 2.568 19.601 ( 11.995 0.000 -0.000) 11.995 20.066 ( -7.649 -0.000 0.000) 7.649 21.449 ( 16.505 0.000 -0.000) 16.505 ======================= Grid point 110 (80/891) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -0.000 9.081 1.811) 9.259 3.028 ( 0.000 9.361 6.352) 11.312 4.267 ( 0.000 20.100 54.040) 57.657 6.692 ( -0.000 42.303 -8.005) 43.054 10.073 ( -0.000 72.357 -11.848) 73.321 12.246 ( -0.000 -13.509 -16.134) 21.043 12.455 ( 0.000 -2.527 -0.408) 2.560 14.837 ( -0.000 23.187 5.341) 23.794 15.779 ( -0.000 8.296 1.142) 8.374 19.356 ( -0.000 -16.448 -9.067) 18.781 19.976 ( -0.000 7.708 -9.372) 12.135 22.342 ( 0.000 -12.995 18.401) 22.527 ======================= Grid point 111 (81/891) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( 1.349 6.354 -1.500) 6.666 3.141 ( 1.860 6.921 5.222) 8.867 4.642 ( 3.232 20.739 52.177) 56.241 7.219 ( 16.121 42.799 -7.362) 46.323 10.689 ( 4.687 47.880 -18.366) 51.495 12.027 ( -9.122 3.831 -7.277) 12.282 12.614 ( 18.295 -2.597 -1.081) 18.510 15.018 ( -5.964 22.002 4.967) 23.331 15.838 ( -2.566 7.239 0.068) 7.680 19.212 ( 7.723 -19.686 -8.966) 22.969 20.006 ( -5.317 12.236 -11.677) 17.730 22.246 ( -2.375 -13.432 18.818) 23.242 ======================= Grid point 112 (82/891) ======================= q-point: ( 0.33 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( 1.807 4.068 -2.761) 5.238 3.244 ( 1.990 4.746 3.631) 6.299 5.064 ( 6.541 20.257 47.477) 52.031 7.993 ( 28.113 43.243 -6.550) 51.992 10.856 ( -3.474 -4.231 -25.372) 25.956 12.184 ( 2.434 43.552 1.644) 43.650 12.966 ( 24.597 0.005 0.464) 24.601 15.101 ( -10.758 21.694 4.118) 24.563 15.832 ( -4.299 4.700 -2.791) 6.954 19.188 ( 13.524 -17.540 -9.697) 24.178 19.957 ( -10.004 10.845 -11.380) 18.633 22.111 ( -4.565 -13.338 18.892) 23.573 ======================= Grid point 113 (83/891) ======================= q-point: ( 0.38 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( 1.889 2.388 -2.892) 4.199 3.318 ( 1.273 3.115 2.339) 4.098 5.513 ( 9.509 18.548 40.988) 45.983 8.923 ( 33.296 44.146 -5.876) 55.606 10.514 ( -10.215 -21.312 -22.142) 32.386 12.798 ( 13.776 47.839 1.225) 49.798 13.416 ( 26.589 2.444 2.258) 26.796 15.103 ( -14.786 21.329 2.347) 26.059 15.788 ( -3.277 2.752 -5.575) 7.028 19.232 ( 12.591 -16.790 -8.890) 22.792 19.833 ( -10.725 8.251 -11.082) 17.490 21.946 ( -6.483 -12.511 18.432) 23.201 ======================= Grid point 114 (84/891) ======================= q-point: ( 0.43 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( 1.844 1.235 -2.554) 3.384 3.361 ( 0.435 1.961 1.531) 2.526 5.963 ( 11.725 15.816 33.500) 38.857 9.785 ( 10.869 18.923 -9.313) 23.727 10.158 ( 8.488 4.645 -14.100) 17.101 13.517 ( 20.613 39.495 0.645) 44.555 13.892 ( 25.562 2.772 4.158) 26.046 15.036 ( -16.608 19.346 -0.718) 25.507 15.757 ( -1.182 2.350 -6.488) 7.001 19.135 ( -3.029 -18.865 -7.135) 20.396 19.775 ( 1.216 5.596 -11.007) 12.408 21.759 ( -8.110 -11.039 17.323) 22.084 ======================= Grid point 115 (85/891) ======================= q-point: ( 0.48 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( 1.765 0.495 -2.071) 2.766 3.381 ( -0.212 1.155 1.099) 1.608 6.391 ( 12.900 12.330 25.439) 31.074 9.453 ( -15.406 -19.701 -13.426) 28.385 10.950 ( 27.130 49.477 -5.446) 56.689 14.223 ( 19.056 32.179 1.521) 37.429 14.330 ( 21.644 3.795 5.614) 22.680 14.947 ( -8.902 11.605 -4.403) 15.274 15.756 ( 0.481 2.308 -5.914) 6.366 18.748 ( -15.561 -22.608 -5.942) 28.081 19.889 ( 9.317 3.199 -10.235) 14.205 21.561 ( -9.347 -9.321 15.686) 20.501 ======================= Grid point 116 (86/891) ======================= q-point: ( 0.52 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( 1.665 0.066 -1.579) 2.296 3.385 ( -0.579 0.617 0.890) 1.228 6.763 ( 12.113 8.029 16.766) 22.188 8.987 ( -14.500 -16.352 -9.343) 23.768 11.812 ( 15.802 55.130 -4.075) 57.495 14.490 ( -13.243 17.776 3.177) 22.394 14.771 ( 7.002 21.084 2.911) 22.407 15.158 ( 36.145 -7.052 -4.994) 37.164 15.794 ( 4.433 1.909 -3.917) 6.216 18.180 ( -20.915 -27.338 -4.633) 34.731 20.058 ( 10.379 2.665 -9.728) 14.473 21.357 ( -10.017 -7.793 13.830) 18.771 ======================= Grid point 117 (87/891) ======================= q-point: ( 0.57 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( 1.508 -0.141 -1.120) 1.884 3.381 ( -0.674 0.303 0.778) 1.073 7.010 ( 5.837 2.143 6.856) 9.256 8.644 ( -7.474 -9.565 -3.378) 12.600 12.484 ( -1.021 57.823 -1.922) 57.864 14.334 ( -23.821 20.431 -2.340) 31.469 15.028 ( 8.691 2.479 6.513) 11.140 15.594 ( 15.911 -3.799 -8.618) 18.490 16.073 ( 34.510 -3.607 1.665) 34.738 17.519 ( -23.498 -28.241 -3.041) 36.864 20.226 ( 9.656 3.024 -9.684) 14.006 21.155 ( -10.052 -6.765 12.126) 17.142 ======================= Grid point 118 (88/891) ======================= q-point: (-0.38 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( 1.222 -0.209 -0.689) 1.418 3.375 ( -0.555 0.169 0.652) 0.873 6.988 ( -8.502 -3.958 -2.148) 9.621 8.588 ( 7.847 -1.868 2.640) 8.487 12.813 ( -25.515 51.522 1.442) 57.511 14.164 ( -16.579 21.310 -6.224) 27.708 15.129 ( 2.425 -5.280 7.126) 9.195 15.702 ( 6.262 -1.145 -7.122) 9.552 16.519 ( 13.659 -38.543 0.897) 40.901 17.050 ( 8.484 1.862 -0.126) 8.687 20.386 ( 8.846 3.903 -10.162) 14.027 20.959 ( -9.604 -6.455 11.033) 15.988 ======================= Grid point 119 (89/891) ======================= q-point: (-0.33 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.285 ( 0.719 -0.205 -0.279) 0.798 3.371 ( -0.305 0.142 0.436) 0.551 6.679 ( -20.185 -5.171 -4.820) 21.387 8.845 ( 20.435 1.214 3.624) 20.789 12.599 ( -46.842 31.543 2.569) 56.531 14.187 ( -8.455 27.409 -7.218) 29.578 15.054 ( -6.674 -5.932 5.565) 10.521 15.742 ( 0.899 -8.605 -8.562) 12.173 15.978 ( -14.694 -31.431 5.592) 35.143 17.642 ( 40.127 3.752 0.895) 40.312 20.542 ( 7.809 5.693 -12.615) 15.891 20.773 ( -8.198 -7.532 12.392) 16.658 ======================= Grid point 120 (90/891) ======================= q-point: (-0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( -0.040 -0.135 0.015) 0.141 3.370 ( -0.051 0.107 0.173) 0.210 6.227 ( -26.886 -3.119 -3.387) 27.277 9.272 ( 27.426 1.119 2.003) 27.521 11.957 ( -54.200 13.122 1.315) 55.781 14.273 ( -10.002 21.369 -4.743) 24.066 14.812 ( -23.496 1.867 2.222) 23.675 15.264 ( -12.549 -30.473 -0.379) 32.957 15.870 ( 2.200 -1.055 1.221) 2.728 18.330 ( 37.406 2.086 0.595) 37.469 20.555 ( -9.393 0.410 -3.721) 10.112 20.744 ( 10.127 -1.832 3.168) 10.769 ======================= Grid point 121 (91/891) ======================= q-point: (-0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.279 ( -1.060 -0.000 0.000) 1.060 3.371 ( 0.069 0.000 -0.000) 0.069 5.716 ( -31.530 -0.000 0.000) 31.530 9.769 ( 29.622 0.000 -0.000) 29.622 11.102 ( -53.833 -0.000 0.000) 53.833 14.176 ( -13.923 -0.000 0.000) 13.923 14.260 ( -40.183 -0.000 0.000) 40.183 14.985 ( -5.794 -0.000 0.000) 5.794 15.892 ( 0.698 0.000 -0.000) 0.698 18.910 ( 29.894 0.000 -0.000) 29.894 20.379 ( -10.250 -0.000 0.000) 10.250 20.939 ( 13.097 0.000 -0.000) 13.097 ======================= Grid point 132 (92/891) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -0.000 4.988 -2.610) 5.630 3.203 ( 0.000 5.762 5.047) 7.660 4.959 ( 0.000 20.440 49.251) 53.324 7.467 ( -0.000 41.682 -7.134) 42.288 10.904 ( -0.000 12.466 -24.848) 27.800 12.310 ( -0.000 36.951 -0.791) 36.959 12.387 ( 0.000 -4.368 -0.131) 4.370 15.280 ( -0.000 19.514 4.422) 20.009 15.943 ( -0.000 7.924 0.942) 7.980 18.924 ( -0.000 -18.746 -11.857) 22.181 20.136 ( -0.000 11.313 -11.238) 15.946 22.189 ( 0.000 -13.432 19.000) 23.268 ======================= Grid point 133 (93/891) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( 0.735 3.557 -3.034) 4.733 3.274 ( 0.959 4.365 4.099) 6.064 5.309 ( 2.869 19.390 44.518) 48.642 7.989 ( 17.019 40.442 -6.527) 44.360 10.776 ( -4.713 -13.328 -24.898) 28.632 12.423 ( 9.114 4.191 0.187) 10.033 12.830 ( 6.469 46.979 1.800) 47.456 15.436 ( -4.261 18.428 3.761) 19.284 15.970 ( -5.472 6.637 -0.723) 8.632 18.799 ( 8.857 -15.559 -13.169) 22.225 20.153 ( -5.605 7.993 -10.278) 14.175 22.096 ( -2.339 -12.769 18.764) 22.817 ======================= Grid point 134 (94/891) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( 1.104 2.317 -2.931) 3.896 3.337 ( 0.910 3.073 2.942) 4.350 5.675 ( 5.502 17.506 38.427) 42.583 8.761 ( 30.335 39.329 -5.767) 50.002 10.414 ( -9.316 -21.093 -21.326) 31.409 12.724 ( 23.348 0.033 -0.048) 23.348 13.408 ( 4.779 49.976 2.549) 50.269 15.522 ( -8.522 19.346 3.577) 21.440 15.898 ( -7.852 4.760 -4.706) 10.318 18.818 ( 13.499 -14.305 -11.964) 23.022 20.050 ( -9.943 4.235 -9.367) 14.302 21.973 ( -4.482 -11.342 17.859) 21.625 ======================= Grid point 135 (95/891) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( 1.296 1.351 -2.547) 3.161 3.379 ( 0.360 2.036 1.977) 2.861 6.042 ( 7.721 14.834 31.443) 35.613 9.671 ( 29.485 31.352 -5.696) 43.414 10.004 ( -3.031 -14.011 -16.785) 22.073 13.177 ( 32.215 -3.792 0.307) 32.439 13.947 ( 3.655 44.477 3.040) 44.730 15.533 ( -15.252 21.623 2.312) 26.562 15.810 ( -4.517 3.724 -7.286) 9.347 18.843 ( 9.546 -18.242 -9.325) 22.602 19.885 ( -8.970 2.780 -8.770) 12.849 21.829 ( -6.423 -9.455 16.185) 19.814 ======================= Grid point 136 (96/891) ======================= q-point: ( 0.48 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.177 ( 1.413 0.661 -2.055) 2.580 3.400 ( -0.237 1.250 1.320) 1.834 6.391 ( 9.289 11.555 23.942) 28.161 9.473 ( -13.647 -18.665 -12.663) 26.362 10.785 ( 40.981 39.867 -5.278) 57.417 13.711 ( 37.270 -7.560 1.113) 38.045 14.396 ( 3.423 34.165 3.205) 34.486 15.451 ( -20.425 24.215 -0.944) 31.693 15.782 ( -1.753 4.147 -6.202) 7.664 18.658 ( -4.338 -26.002 -6.315) 27.107 19.817 ( 0.657 3.897 -8.472) 9.348 21.667 ( -8.138 -7.609 13.949) 17.852 ======================= Grid point 137 (97/891) ======================= q-point: ( 0.52 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( 1.495 0.215 -1.549) 2.164 3.405 ( -0.657 0.688 0.921) 1.324 6.704 ( 9.765 7.834 16.202) 20.476 9.045 ( -13.712 -15.180 -8.861) 22.292 11.840 ( 36.970 44.281 -4.327) 57.847 14.262 ( 37.592 -10.931 2.929) 39.259 14.737 ( 5.938 19.014 1.209) 19.956 15.327 ( -23.848 27.561 -1.153) 36.465 15.785 ( -0.608 4.308 -5.609) 7.099 18.191 ( -15.084 -31.048 -4.013) 34.751 19.910 ( 7.620 3.541 -7.724) 11.413 21.489 ( -9.471 -6.082 11.492) 16.086 ======================= Grid point 138 (98/891) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( 1.531 -0.024 -1.068) 1.867 3.399 ( -0.829 0.330 0.675) 1.119 6.945 ( 7.571 3.657 8.407) 11.890 8.694 ( -10.678 -9.759 -4.461) 15.138 12.815 ( 25.163 49.971 -3.182) 56.039 14.690 ( 15.145 -3.837 7.116) 17.168 14.994 ( 15.637 -1.183 -7.942) 17.578 15.200 ( -14.588 18.895 2.868) 24.043 15.826 ( 2.629 4.379 -4.125) 6.565 17.587 ( -18.742 -30.410 -2.089) 35.783 20.068 ( 9.578 2.781 -6.771) 12.055 21.299 ( -10.265 -4.875 9.065) 14.537 ======================= Grid point 139 (99/891) ======================= q-point: ( 0.62 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( 1.469 -0.105 -0.629) 1.601 3.389 ( -0.772 0.140 0.478) 0.919 7.041 ( -0.625 -0.494 1.499) 1.698 8.511 ( -1.437 -3.738 -0.108) 4.007 13.563 ( 1.601 53.449 -0.664) 53.477 14.644 ( -20.653 10.924 -2.460) 23.493 15.051 ( 1.108 -4.062 6.999) 8.168 15.411 ( 25.145 -11.654 -8.409) 28.962 15.929 ( 10.946 -9.916 1.048) 14.807 17.064 ( -11.525 -15.561 -0.443) 19.370 20.237 ( 9.689 2.313 -5.694) 11.473 21.105 ( -10.546 -3.836 6.740) 13.090 ======================= Grid point 140 (100/891) ======================= q-point: (-0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( 1.225 -0.084 -0.253) 1.254 3.380 ( -0.559 0.059 0.255) 0.617 6.914 ( -12.517 -1.887 -1.359) 12.732 8.584 ( 11.595 -0.234 1.370) 11.678 13.654 ( -42.457 28.030 2.246) 50.924 14.510 ( -5.303 17.323 -6.362) 19.201 15.053 ( 2.751 -5.517 6.849) 9.215 15.567 ( 7.481 -12.906 -9.836) 17.868 15.859 ( -0.834 -18.552 5.623) 19.404 17.106 ( 23.743 1.860 0.166) 23.816 20.404 ( 9.493 1.814 -4.097) 10.497 20.912 ( -10.551 -2.638 4.311) 11.699 ======================= Grid point 141 (101/891) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.282 ( 0.733 0.000 -0.000) 0.733 3.373 ( -0.287 -0.000 0.000) 0.287 6.613 ( -21.177 -0.000 0.000) 21.177 8.868 ( 21.270 0.000 -0.000) 21.270 12.937 ( -53.605 -0.000 0.000) 53.605 14.524 ( -6.973 -0.000 0.000) 6.973 15.090 ( 0.633 0.000 -0.000) 0.633 15.307 ( -19.534 -0.000 0.000) 19.534 15.821 ( 2.745 0.000 -0.000) 2.745 17.684 ( 39.339 0.000 -0.000) 39.339 20.568 ( 9.774 0.000 -0.000) 9.774 20.727 ( -10.542 -0.000 0.000) 10.542 ======================= Grid point 154 (102/891) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( -0.000 2.802 -2.994) 4.100 3.317 ( 0.000 3.659 3.802) 5.277 5.586 ( 0.000 17.911 40.069) 43.890 8.203 ( -0.000 37.989 -6.235) 38.497 10.595 ( -0.000 -19.005 -23.032) 29.861 12.283 ( 0.000 -6.476 0.282) 6.483 13.348 ( -0.000 58.668 2.217) 58.709 15.635 ( -0.000 15.228 2.174) 15.382 16.093 ( -0.000 7.022 0.728) 7.059 18.549 ( -0.000 -11.637 -15.398) 19.300 20.230 ( -0.000 3.606 -9.037) 9.730 22.050 ( 0.000 -11.480 18.104) 21.437 ======================= Grid point 155 (103/891) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( 0.448 2.006 -2.707) 3.399 3.363 ( 0.431 2.787 3.027) 4.137 5.875 ( 2.384 15.838 34.397) 37.943 8.692 ( 17.786 35.438 -5.621) 40.047 10.285 ( -6.056 -21.067 -19.712) 29.480 12.344 ( 14.751 -7.134 0.335) 16.389 13.909 ( -0.072 54.578 2.596) 54.639 15.762 ( -1.777 13.603 1.049) 13.758 16.095 ( -7.364 7.165 -0.838) 10.309 18.480 ( 7.846 -9.232 -14.639) 19.002 20.172 ( -5.334 -1.010 -7.685) 9.409 21.978 ( -2.303 -9.525 16.667) 19.334 ======================= Grid point 156 (104/891) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( 0.734 1.295 -2.278) 2.721 3.399 ( 0.265 1.943 2.140) 2.903 6.161 ( 4.449 13.203 27.880) 31.167 9.431 ( 31.595 32.388 -4.684) 45.488 9.902 ( -8.706 -19.467 -16.005) 26.663 12.618 ( 25.970 -8.128 0.421) 27.215 14.393 ( -1.630 45.972 3.129) 46.107 15.842 ( -2.838 10.278 -0.796) 10.692 16.019 ( -11.356 12.940 -2.434) 17.388 18.497 ( 9.091 -12.104 -11.880) 19.243 20.009 ( -8.013 -3.552 -6.348) 10.822 21.883 ( -4.528 -7.376 14.443) 16.838 ======================= Grid point 157 (105/891) ======================= q-point: ( 0.48 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 0.951 0.726 -1.791) 2.154 3.420 ( -0.196 1.234 1.396) 1.874 6.432 ( 6.127 10.119 20.920) 24.033 9.481 ( -11.765 -16.705 -11.245) 23.322 10.390 ( 43.222 30.992 -4.753) 53.397 13.033 ( 32.982 -9.569 0.719) 34.350 14.743 ( -3.523 32.889 3.266) 33.238 15.856 ( -3.149 5.961 -4.771) 8.259 15.986 ( -13.953 24.295 -0.357) 28.019 18.412 ( 1.667 -21.412 -8.437) 23.074 19.851 ( -4.334 -1.622 -5.508) 7.195 21.764 ( -6.643 -5.533 11.728) 14.571 ======================= Grid point 158 (106/891) ======================= q-point: ( 0.52 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.177 ( 1.149 0.318 -1.297) 1.761 3.425 ( -0.642 0.691 0.869) 1.282 6.676 ( 7.231 6.798 13.934) 17.107 9.105 ( -12.482 -12.818 -7.611) 19.443 11.455 ( 48.745 31.077 -3.790) 57.933 13.519 ( 36.334 -11.696 1.128) 38.187 14.928 ( -4.190 17.920 2.191) 18.533 15.846 ( -3.873 5.136 -2.820) 7.024 15.993 ( -17.917 32.863 -1.749) 37.470 18.070 ( -9.014 -31.358 -5.029) 33.013 19.828 ( 3.194 1.357 -4.986) 6.075 21.619 ( -8.488 -4.112 8.859) 12.940 ======================= Grid point 159 (107/891) ======================= q-point: ( 0.57 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( 1.331 0.074 -0.819) 1.564 3.418 ( -0.903 0.319 0.516) 1.088 6.878 ( 7.189 3.525 7.437) 10.927 8.784 ( -11.609 -7.877 -4.015) 14.592 12.575 ( 48.656 32.513 -3.001) 58.596 14.007 ( 36.351 -15.353 1.705) 39.497 14.989 ( -2.803 7.616 0.430) 8.127 15.762 ( -13.793 6.407 1.422) 15.275 16.004 ( -16.925 29.635 -4.331) 34.401 17.539 ( -13.205 -33.452 -2.236) 36.034 19.929 ( 7.741 1.790 -3.992) 8.892 21.452 ( -9.856 -2.918 6.013) 11.908 ======================= Grid point 160 (108/891) ======================= q-point: ( 0.62 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( 1.459 -0.019 -0.376) 1.507 3.406 ( -0.941 0.104 0.250) 0.979 7.014 ( 4.389 0.835 2.276) 5.014 8.557 ( -7.780 -3.070 -1.067) 8.431 13.658 ( 40.368 36.271 -2.330) 54.319 14.409 ( 30.722 -22.741 3.038) 38.344 15.017 ( 1.926 2.643 -1.920) 3.792 15.476 ( -29.501 6.516 1.431) 30.246 15.941 ( -11.095 7.962 -2.464) 13.876 17.076 ( -9.131 -17.844 -0.303) 20.047 20.080 ( 9.447 1.072 -2.403) 9.807 21.271 ( -10.632 -1.663 3.157) 11.215 ======================= Grid point 161 (109/891) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.242 ( 1.454 0.000 -0.000) 1.454 3.392 ( -0.798 -0.000 0.000) 0.798 7.036 ( -3.011 -0.000 0.000) 3.011 8.478 ( 0.812 0.000 -0.000) 0.812 14.416 ( -13.940 -0.000 0.000) 13.940 14.503 ( 18.688 0.000 -0.000) 18.688 15.020 ( -15.059 -0.000 0.000) 15.059 15.190 ( 19.672 0.000 -0.000) 19.672 15.826 ( -4.562 -0.000 0.000) 4.562 16.921 ( 0.541 0.000 -0.000) 0.541 20.244 ( 9.780 0.000 -0.000) 9.780 21.086 ( -10.854 -0.000 0.000) 10.854 ======================= Grid point 176 (110/891) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( -0.000 1.559 -2.331) 2.804 3.392 ( 0.000 2.287 2.653) 3.503 6.088 ( 0.000 13.627 29.186) 32.211 8.848 ( -0.000 31.681 -5.197) 32.105 10.086 ( -0.000 -20.243 -17.104) 26.501 12.143 ( 0.000 -8.060 0.717) 8.092 14.430 ( -0.000 50.040 3.077) 50.134 15.894 ( -0.000 11.178 -0.797) 11.207 16.219 ( -0.000 5.578 0.519) 5.602 18.310 ( -0.000 -4.047 -15.086) 15.619 20.162 ( -0.000 -6.069 -5.918) 8.477 21.960 ( 0.000 -7.304 14.701) 16.416 ======================= Grid point 177 (111/891) ======================= q-point: ( 0.43 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 0.298 1.086 -1.875) 2.187 3.419 ( 0.122 1.677 1.996) 2.610 6.298 ( 1.937 10.999 23.130) 25.685 9.278 ( 18.498 27.655 -4.392) 33.560 9.805 ( -5.743 -17.830 -13.598) 23.147 12.192 ( 14.668 -8.407 0.749) 16.923 14.866 ( -2.576 41.225 3.676) 41.469 15.965 ( -2.563 8.120 -2.788) 8.960 16.250 ( -2.712 8.791 0.474) 9.212 18.277 ( 3.390 -3.724 -12.981) 13.924 20.035 ( -4.025 -8.951 -4.183) 10.668 21.918 ( -2.384 -5.196 12.069) 13.354 ======================= Grid point 178 (112/891) ======================= q-point: ( 0.48 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 0.533 0.657 -1.392) 1.629 3.438 ( -0.111 1.081 1.296) 1.692 6.493 ( 3.589 8.071 16.655) 18.852 9.481 ( -9.342 -13.820 -9.217) 19.058 9.973 ( 34.935 23.332 -3.966) 42.197 12.453 ( 25.346 -8.572 0.724) 26.766 15.133 ( -6.708 26.919 3.494) 27.961 15.964 ( -3.702 6.627 -4.347) 8.747 16.340 ( -2.387 18.159 1.141) 18.351 18.209 ( -1.000 -11.421 -9.791) 15.077 19.869 ( -3.936 -7.190 -2.962) 8.716 21.846 ( -4.774 -3.556 9.084) 10.861 ======================= Grid point 179 (113/891) ======================= q-point: ( 0.52 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 0.765 0.317 -0.911) 1.231 3.443 ( -0.504 0.583 0.720) 1.054 6.666 ( 4.966 5.028 10.248) 12.448 9.174 ( -10.994 -9.396 -5.681) 15.538 10.867 ( 47.459 19.278 -2.766) 51.300 12.854 ( 31.369 -8.348 0.740) 32.469 15.192 ( -8.598 12.468 1.856) 15.258 15.956 ( -3.813 6.016 -2.950) 7.709 16.511 ( -5.318 28.707 1.290) 29.224 17.922 ( -10.147 -24.388 -6.301) 27.155 19.785 ( 0.621 -2.288 -2.409) 3.380 21.740 ( -6.995 -2.339 6.022) 9.522 ======================= Grid point 180 (114/891) ======================= q-point: ( 0.57 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( 1.019 0.094 -0.441) 1.115 3.437 ( -0.833 0.221 0.303) 0.914 6.813 ( 5.956 2.184 4.467) 7.759 8.907 ( -11.412 -4.469 -2.443) 12.497 11.890 ( 55.709 13.543 -1.596) 57.354 13.324 ( 32.794 -7.023 0.650) 33.544 15.138 ( -7.152 4.459 0.534) 8.445 15.916 ( -5.556 2.514 -0.995) 6.179 16.680 ( -15.549 37.055 0.965) 40.197 17.398 ( -13.352 -35.465 -3.186) 38.029 19.823 ( 5.163 0.210 -1.601) 5.410 21.602 ( -8.815 -1.257 3.005) 9.398 ======================= Grid point 181 (115/891) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( 1.275 0.000 -0.000) 1.275 3.423 ( -0.981 -0.000 0.000) 0.981 6.932 ( 6.124 0.000 -0.000) 6.124 8.697 ( -10.661 -0.000 0.000) 10.661 12.935 ( 58.921 0.000 -0.000) 58.921 13.810 ( 29.709 0.000 -0.000) 29.709 15.061 ( -4.352 -0.000 0.000) 4.352 15.806 ( -9.582 -0.000 0.000) 9.582 16.460 ( -35.397 -0.000 0.000) 35.397 17.052 ( -2.035 -0.000 0.000) 2.035 19.935 ( 7.982 0.000 -0.000) 7.982 21.441 ( -10.053 -0.000 0.000) 10.053 ======================= Grid point 199 (116/891) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( -0.000 0.791 -1.414) 1.620 3.438 ( 0.000 1.267 1.570) 2.018 6.434 ( 0.000 8.394 17.535) 19.441 9.349 ( -0.000 22.183 -3.702) 22.490 9.664 ( -0.000 -14.568 -10.463) 17.936 11.992 ( 0.000 -7.637 0.895) 7.689 15.269 ( -0.000 33.593 4.271) 33.864 16.058 ( -0.000 6.980 -3.277) 7.711 16.311 ( -0.000 3.612 0.313) 3.626 18.221 ( -0.000 2.251 -11.482) 11.701 19.956 ( 0.000 -11.686 -2.329) 11.916 21.927 ( 0.000 -3.350 9.224) 9.813 ======================= Grid point 200 (117/891) ======================= q-point: ( 0.48 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 0.222 0.479 -0.938) 1.076 3.451 ( -0.042 0.792 0.992) 1.271 6.556 ( 1.616 5.566 11.494) 12.873 9.470 ( -5.522 -10.023 -6.658) 13.239 9.691 ( 19.464 15.990 -2.803) 25.345 12.048 ( 14.101 -6.290 0.713) 15.456 15.492 ( -7.162 20.345 3.726) 21.888 16.070 ( -3.079 5.137 -3.555) 6.965 16.414 ( 6.889 7.020 0.691) 9.860 18.185 ( -4.483 0.100 -8.335) 9.465 19.826 ( -1.562 -9.593 -1.138) 9.786 21.902 ( -2.523 -2.002 6.156) 6.947 ======================= Grid point 201 (118/891) ======================= q-point: ( 0.52 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( 0.441 0.201 -0.464) 0.671 3.456 ( -0.286 0.348 0.434) 0.625 6.659 ( 3.087 2.688 5.483) 6.842 9.259 ( -8.889 -5.044 -3.125) 10.687 10.282 ( 36.684 9.053 -1.453) 37.813 12.326 ( 24.294 -4.015 0.407) 24.627 15.458 ( -11.351 6.718 1.355) 13.259 16.059 ( -3.137 3.866 -1.676) 5.253 16.660 ( 10.405 11.103 1.128) 15.259 17.974 ( -15.207 -6.896 -4.484) 17.289 19.744 ( 0.197 -3.666 -0.686) 3.735 21.838 ( -4.988 -0.990 3.053) 5.931 ======================= Grid point 202 (119/891) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 0.705 0.000 -0.000) 0.705 3.451 ( -0.602 -0.000 0.000) 0.602 6.743 ( 4.523 0.000 -0.000) 4.523 9.066 ( -10.576 -0.000 0.000) 10.576 11.055 ( 49.603 0.000 -0.000) 49.603 12.766 ( 30.031 0.000 -0.000) 30.031 15.306 ( -10.010 -0.000 0.000) 10.010 16.013 ( -4.452 -0.000 0.000) 4.452 16.918 ( 9.901 0.000 -0.000) 9.901 17.551 ( -26.712 -0.000 0.000) 26.712 19.753 ( 2.745 0.000 -0.000) 2.745 21.735 ( -7.154 -0.000 0.000) 7.154 ======================= Grid point 222 (120/891) ======================= q-point: ( 0.48 0.48 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( -0.000 0.243 -0.469) 0.528 3.460 ( 0.000 0.407 0.520) 0.660 6.608 ( 0.000 2.813 5.804) 6.450 9.428 ( -0.000 -5.275 -3.497) 6.329 9.637 ( -0.000 8.300 -1.405) 8.418 11.882 ( 0.000 -3.397 0.446) 3.426 15.741 ( 0.000 12.249 3.115) 12.639 16.125 ( -0.000 1.913 -2.795) 3.386 16.359 ( -0.000 1.253 0.105) 1.258 18.238 ( -0.000 2.933 -4.591) 5.448 19.751 ( 0.000 -6.697 -0.226) 6.701 21.923 ( 0.000 -0.892 3.092) 3.218 ======================= Grid point 223 (121/891) ======================= q-point: (-0.48 -0.52 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 0.199 0.000 -0.000) 0.199 3.462 ( -0.094 -0.000 0.000) 0.094 6.642 ( 1.496 0.000 -0.000) 1.496 9.352 ( -5.333 -0.000 0.000) 5.333 9.843 ( 19.841 0.000 -0.000) 19.841 11.984 ( 13.768 0.000 -0.000) 13.768 15.692 ( -11.175 -0.000 0.000) 11.175 16.116 ( -1.606 -0.000 0.000) 1.606 16.492 ( 12.486 0.000 -0.000) 12.486 18.167 ( -9.497 -0.000 0.000) 9.497 19.718 ( 0.109 0.000 -0.000) 0.109 21.901 ( -2.586 -0.000 0.000) 2.586 ======================= Grid point 469 (122/891) ======================= q-point: ( 0.05 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.231 ( 0.000 -0.000 27.393) 27.393 0.231 ( 0.000 -0.000 27.393) 27.393 0.904 ( 0.000 -0.000 106.799) 106.799 4.568 ( -0.000 0.000 -5.097) 5.097 4.568 ( -0.000 0.000 -5.097) 5.097 12.542 ( 0.000 -0.000 2.172) 2.172 12.542 ( 0.000 -0.000 2.172) 2.172 13.915 ( -0.000 0.000 -12.486) 12.486 15.205 ( -0.000 0.000 -1.044) 1.044 15.205 ( -0.000 0.000 -1.044) 1.044 22.761 ( 0.000 -0.000 5.837) 5.837 25.774 ( -0.000 0.000 -2.111) 2.111 ======================= Grid point 470 (123/891) ======================= q-point: ( 0.10 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 35.415 20.447 9.488) 41.980 1.096 ( 14.646 8.456 65.801) 67.939 1.581 ( 45.448 26.240 41.417) 66.854 4.630 ( 7.285 4.206 -6.918) 10.892 4.890 ( 24.960 14.411 -9.288) 30.281 12.570 ( 1.080 0.623 4.380) 4.554 12.622 ( 7.243 4.182 0.236) 8.367 13.847 ( -1.888 -1.090 -15.251) 15.406 15.213 ( 1.664 0.961 -2.566) 3.205 17.808 ( 77.021 44.468 -143.991) 169.242 22.464 ( -79.541 -45.923 135.478) 163.677 22.800 ( -14.968 -8.642 37.050) 40.883 ======================= Grid point 471 (124/891) ======================= q-point: ( 0.14 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 13.729 7.927 70.927) 72.677 1.688 ( 30.341 17.517 7.077) 35.742 2.565 ( 30.765 17.762 22.002) 41.786 4.866 ( 16.118 9.305 -8.353) 20.400 5.729 ( 52.536 30.332 -7.740) 61.155 12.613 ( 1.329 0.767 6.128) 6.317 12.812 ( 8.129 4.693 -4.628) 10.465 13.777 ( 0.833 0.481 -13.865) 13.899 15.263 ( 3.638 2.100 -3.732) 5.619 18.549 ( 28.365 16.377 -78.429) 84.994 21.541 ( -37.213 -21.485 79.849) 90.677 22.708 ( -5.844 -3.374 14.533) 16.023 ======================= Grid point 472 (125/891) ======================= q-point: ( 0.19 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 20.049 11.575 53.247) 58.062 2.288 ( 21.506 12.416 6.063) 25.562 3.112 ( 14.948 8.630 23.858) 29.447 5.309 ( 25.712 14.845 -8.869) 30.987 7.100 ( 69.287 40.003 -6.045) 80.234 12.662 ( 1.302 0.752 7.273) 7.427 12.840 ( -4.566 -2.636 -15.202) 16.090 13.897 ( 13.120 7.575 -4.902) 15.923 15.351 ( 5.194 2.999 -4.398) 7.438 18.820 ( 13.134 7.583 -46.528) 48.938 21.066 ( -22.057 -12.735 41.728) 48.887 22.599 ( -7.618 -4.398 15.473) 17.798 ======================= Grid point 473 (126/891) ======================= q-point: ( 0.24 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( 13.435 7.757 4.796) 16.238 2.714 ( 20.665 11.931 25.518) 34.936 3.476 ( 12.394 7.156 38.076) 40.677 5.945 ( 32.734 18.899 -8.414) 38.723 8.688 ( 72.923 42.102 -4.990) 84.352 12.551 ( -15.557 -8.982 -20.549) 27.294 12.708 ( 0.909 0.525 7.808) 7.878 14.279 ( 19.924 11.503 0.677) 23.017 15.467 ( 6.195 3.577 -4.543) 8.474 18.901 ( 4.043 2.334 -29.137) 29.508 20.774 ( -11.795 -6.810 18.597) 23.051 22.455 ( -9.364 -5.406 16.673) 19.872 ======================= Grid point 474 (127/891) ======================= q-point: ( 0.29 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 8.216 4.744 3.530) 10.122 3.107 ( 11.046 6.377 0.044) 12.755 3.977 ( 21.318 12.308 52.946) 58.389 6.690 ( 35.390 20.432 -7.618) 41.569 10.280 ( 70.245 40.556 -5.141) 81.275 12.069 ( -21.927 -12.660 -20.183) 32.380 12.742 ( 0.079 0.045 7.803) 7.804 14.736 ( 19.917 11.499 2.438) 23.127 15.598 ( 6.607 3.815 -4.239) 8.728 18.857 ( -1.099 -0.635 -20.998) 21.036 20.636 ( -3.989 -2.303 5.277) 7.005 22.274 ( -11.240 -6.490 17.472) 21.766 ======================= Grid point 475 (128/891) ======================= q-point: ( 0.33 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( 5.198 3.001 2.558) 6.524 3.261 ( 4.480 2.587 -3.894) 6.475 4.670 ( 26.674 15.400 48.279) 57.267 7.454 ( 34.433 19.880 -6.868) 40.349 11.410 ( -17.072 -9.856 -26.565) 33.080 11.835 ( 55.024 31.768 3.094) 63.612 12.752 ( -1.169 -0.675 7.308) 7.431 15.165 ( 17.700 10.219 2.753) 20.623 15.734 ( 6.462 3.731 -3.587) 8.279 18.761 ( -1.944 -1.123 -18.921) 19.053 20.603 ( -0.048 -0.028 -0.776) 0.778 22.050 ( -13.300 -7.679 17.859) 23.555 ======================= Grid point 476 (129/891) ======================= q-point: ( 0.38 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( 3.359 1.939 1.886) 4.313 3.317 ( 1.825 1.054 -3.080) 3.732 5.404 ( 27.540 15.900 39.899) 51.022 8.169 ( 30.870 17.823 -6.107) 36.165 10.757 ( -28.959 -16.719 -20.360) 39.150 12.729 ( -2.622 -1.514 6.279) 6.970 13.144 ( 55.270 31.910 -0.723) 63.824 15.545 ( 16.068 9.277 2.427) 18.712 15.863 ( 5.804 3.351 -2.674) 7.216 18.675 ( -1.040 -0.600 -18.597) 18.636 20.611 ( 0.974 0.562 -3.587) 3.759 21.783 ( -15.099 -8.718 18.083) 25.120 ======================= Grid point 477 (130/891) ======================= q-point: ( 0.43 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.257 ( 2.095 1.209 1.431) 2.810 3.336 ( 0.681 0.393 -2.105) 2.247 6.108 ( 26.202 15.128 31.516) 43.688 8.782 ( 25.129 14.508 -5.053) 29.453 10.048 ( -29.293 -16.912 -17.727) 38.188 12.672 ( -3.790 -2.188 4.565) 6.324 14.234 ( 41.534 23.980 -0.631) 47.964 15.916 ( 17.151 9.902 2.018) 19.907 15.975 ( 4.671 2.697 -1.574) 5.619 18.606 ( -0.777 -0.449 -17.376) 17.399 20.616 ( 0.505 0.292 -6.082) 6.110 21.489 ( -15.457 -8.924 18.367) 25.611 ======================= Grid point 478 (131/891) ======================= q-point: ( 0.48 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.296 ( 1.108 0.640 1.113) 1.696 3.341 ( 0.256 0.148 -1.385) 1.416 6.727 ( 21.626 12.486 21.952) 33.249 9.245 ( 17.136 9.894 -3.370) 20.072 9.384 ( -25.022 -14.446 -13.966) 32.091 12.593 ( -3.911 -2.258 1.975) 4.929 14.955 ( 22.790 13.158 0.349) 26.318 16.059 ( 3.120 1.801 -0.360) 3.621 16.328 ( 18.554 10.712 0.935) 21.445 18.541 ( -0.881 -0.509 -13.743) 13.780 20.593 ( -0.578 -0.334 -9.132) 9.157 21.220 ( -12.681 -7.321 18.144) 23.316 ======================= Grid point 479 (132/891) ======================= q-point: ( 0.52 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( 0.246 0.142 0.879) 0.924 3.342 ( 0.204 0.118 -0.883) 0.914 7.110 ( 5.980 3.453 6.336) 9.372 8.948 ( -8.567 -4.946 -3.914) 10.638 9.510 ( 6.801 3.927 -0.937) 7.909 12.521 ( -2.339 -1.350 -1.459) 3.069 15.280 ( 6.912 3.991 2.414) 8.338 16.110 ( 1.264 0.730 0.879) 1.704 16.655 ( 8.260 4.769 -2.804) 9.941 18.514 ( 1.683 0.972 -5.887) 6.200 20.554 ( 0.437 0.252 -11.342) 11.353 21.042 ( -7.482 -4.320 15.353) 17.617 ======================= Grid point 480 (133/891) ======================= q-point: (-0.43 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( -0.588 -0.339 0.696) 0.972 3.346 ( 0.308 0.178 -0.497) 0.611 6.949 ( -17.967 -10.373 -11.680) 23.808 9.064 ( 16.621 9.596 9.044) 21.217 9.533 ( -4.928 -2.845 1.708) 5.941 12.490 ( 0.446 0.257 -5.051) 5.077 15.299 ( -6.177 -3.566 4.566) 8.469 16.120 ( -0.719 -0.415 2.042) 2.204 16.616 ( -9.986 -5.765 -7.012) 13.495 18.595 ( 5.354 3.091 3.280) 6.998 20.585 ( 5.456 3.150 -11.108) 12.771 20.962 ( -2.941 -1.698 9.495) 10.085 ======================= Grid point 481 (134/891) ======================= q-point: (-0.38 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( -1.477 -0.853 0.541) 1.789 3.353 ( 0.382 0.221 -0.108) 0.454 6.372 ( -27.892 -16.104 -18.881) 37.334 9.306 ( -15.848 -9.150 3.587) 18.648 9.608 ( 27.334 15.782 11.916) 33.738 12.509 ( 2.671 1.542 -7.701) 8.296 14.997 ( -23.163 -13.373 4.949) 27.201 16.089 ( -2.617 -1.511 3.040) 4.287 16.260 ( -17.597 -10.160 -6.408) 21.306 18.729 ( 4.584 2.646 7.383) 9.084 20.696 ( 4.182 2.415 -2.518) 5.446 20.989 ( 5.888 3.399 -2.913) 7.396 ======================= Grid point 482 (135/891) ======================= q-point: (-0.33 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( -2.523 -1.457 0.402) 2.941 3.361 ( 0.229 0.132 0.410) 0.487 5.645 ( -31.657 -18.277 -21.722) 42.521 8.863 ( -24.411 -14.094 4.336) 28.519 10.295 ( 30.648 17.694 11.189) 37.116 12.554 ( 3.251 1.877 -8.966) 9.720 14.272 ( -42.326 -24.437 3.332) 48.988 15.870 ( -15.899 -9.179 -2.859) 18.580 16.022 ( -4.243 -2.450 3.808) 6.206 18.833 ( 2.976 1.718 8.223) 8.912 20.715 ( -1.872 -1.081 4.138) 4.668 21.214 ( 14.494 8.368 -11.582) 20.353 ======================= Grid point 483 (136/891) ======================= q-point: (-0.29 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( -3.891 -2.246 0.275) 4.501 3.362 ( -0.410 -0.237 1.280) 1.365 4.849 ( -33.851 -19.544 -23.394) 45.554 8.259 ( -30.427 -17.567 4.270) 35.393 11.014 ( 30.664 17.704 9.528) 36.667 12.595 ( 2.542 1.468 -9.139) 9.598 13.175 ( -55.654 -32.132 2.810) 64.325 15.517 ( -15.869 -9.162 -0.649) 18.335 15.924 ( -5.472 -3.159 4.316) 7.652 18.920 ( 2.912 1.681 8.911) 9.524 20.664 ( -3.224 -1.862 1.985) 4.219 21.517 ( 14.985 8.651 -11.301) 20.666 ======================= Grid point 484 (137/891) ======================= q-point: (-0.24 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( -5.886 -3.398 0.170) 6.799 3.343 ( -2.151 -1.242 3.599) 4.373 4.011 ( -34.830 -20.109 -25.384) 47.559 7.547 ( -34.006 -19.633 3.772) 39.447 11.645 ( 4.778 2.759 -5.670) 7.911 11.894 ( -40.893 -23.609 16.459) 50.005 12.613 ( 1.344 0.776 -8.622) 8.761 15.141 ( -17.886 -10.326 0.178) 20.654 15.805 ( -6.247 -3.607 4.547) 8.527 19.027 ( 4.426 2.555 11.049) 12.174 20.586 ( -3.564 -2.057 -3.330) 5.293 21.805 ( 13.298 7.678 -9.198) 17.899 ======================= Grid point 485 (138/891) ======================= q-point: (-0.19 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( -9.098 -5.253 0.138) 10.507 3.115 ( -33.961 -19.607 -4.884) 39.517 3.324 ( -5.728 -3.307 -15.014) 16.406 6.782 ( -34.844 -20.117 3.028) 40.348 10.317 ( -69.501 -40.126 -1.114) 80.260 12.326 ( 22.916 13.231 10.072) 28.314 12.607 ( 0.261 0.151 -7.658) 7.664 14.720 ( -19.816 -11.441 0.613) 22.889 15.674 ( -6.545 -3.779 4.479) 8.785 19.186 ( 6.357 3.670 16.496) 18.055 20.489 ( -3.140 -1.813 -12.446) 12.964 22.058 ( 11.332 6.543 -6.388) 14.561 ======================= Grid point 486 (139/891) ======================= q-point: (-0.14 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -35.403 -20.440 -12.455) 42.735 2.650 ( -14.456 -8.346 0.309) 16.695 3.189 ( -7.175 -4.142 -2.482) 8.649 6.035 ( -32.122 -18.546 2.013) 37.146 8.727 ( -72.055 -41.601 -0.727) 83.205 12.585 ( -0.398 -0.230 -6.330) 6.347 12.785 ( 15.368 8.873 7.003) 19.078 14.281 ( -18.858 -10.888 0.896) 21.793 15.542 ( -6.341 -3.661 4.072) 8.378 19.395 ( 6.434 3.715 27.223) 28.218 20.384 ( -0.928 -0.536 -26.444) 26.466 22.276 ( 9.504 5.487 -3.265) 11.450 ======================= Grid point 487 (140/891) ======================= q-point: (-0.10 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -31.929 -18.434 -1.772) 36.911 2.244 ( -22.472 -12.974 0.903) 25.965 2.947 ( -15.241 -8.800 -0.449) 17.605 5.391 ( -25.302 -14.608 0.592) 29.222 7.143 ( -68.179 -39.363 -1.238) 78.736 12.558 ( -0.568 -0.328 -4.635) 4.681 13.002 ( 1.274 0.736 4.355) 4.597 13.945 ( -9.556 -5.517 0.167) 11.036 15.418 ( -5.603 -3.235 3.280) 7.253 19.585 ( 1.649 0.952 30.731) 30.789 20.332 ( 4.990 2.881 -31.733) 32.252 22.463 ( 7.648 4.416 -0.227) 8.834 ======================= Grid point 488 (141/891) ======================= q-point: (-0.05 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -24.197 -13.970 30.088) 41.060 1.646 ( -31.274 -18.056 2.185) 36.179 2.434 ( -32.984 -19.043 1.968) 38.137 4.927 ( -16.064 -9.274 -1.218) 18.589 5.773 ( -51.377 -29.662 -2.670) 59.385 12.537 ( -0.339 -0.196 -2.576) 2.606 12.876 ( -10.993 -6.347 3.294) 13.114 13.872 ( 1.530 0.884 -3.177) 3.635 15.314 ( -4.325 -2.497 2.095) 5.416 19.536 ( -7.868 -4.542 -37.251) 38.343 20.525 ( 14.032 8.102 37.401) 40.760 22.614 ( 5.478 3.163 2.532) 6.813 ======================= Grid point 491 (142/891) ======================= q-point: ( 0.10 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 0.000 40.014 12.255) 41.848 1.270 ( 0.000 32.545 39.399) 51.102 1.712 ( 0.000 34.522 70.371) 78.383 4.614 ( -0.000 8.690 -8.169) 11.927 4.849 ( -0.000 28.679 -11.560) 30.921 12.538 ( 0.000 -0.872 1.924) 2.113 12.673 ( 0.000 10.335 3.805) 11.013 13.798 ( -0.000 -1.965 -19.017) 19.118 15.240 ( -0.000 3.511 -0.481) 3.544 17.457 ( -0.000 100.081 -124.954) 160.093 22.685 ( 0.000 -39.399 41.807) 57.446 22.994 ( 0.000 -84.421 110.953) 139.419 ======================= Grid point 492 (143/891) ======================= q-point: ( 0.14 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 17.841 32.361 11.320) 38.648 1.696 ( 6.678 13.257 62.088) 63.838 2.438 ( 20.107 32.225 38.560) 54.126 4.762 ( 7.820 14.568 -9.711) 19.175 5.391 ( 26.890 44.442 -10.771) 53.049 12.615 ( 7.280 0.069 1.538) 7.441 12.764 ( -1.601 10.042 1.849) 10.335 13.722 ( -0.122 -0.484 -18.762) 18.769 15.269 ( -0.408 5.479 -1.822) 5.789 18.163 ( 22.349 47.951 -85.080) 100.186 21.975 ( -26.792 -57.311 84.080) 105.223 22.789 ( -3.798 -7.417 20.442) 22.075 ======================= Grid point 493 (144/891) ======================= q-point: ( 0.19 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 13.050 13.240 51.061) 54.339 2.152 ( 16.255 21.778 12.008) 29.710 3.057 ( 14.168 15.638 34.269) 40.245 5.115 ( 16.666 22.341 -10.433) 29.761 6.516 ( 50.680 54.636 -8.546) 75.011 12.735 ( 2.431 5.175 3.843) 6.889 12.787 ( -1.844 -1.163 -9.713) 9.955 13.747 ( 7.775 4.898 -10.439) 13.907 15.331 ( 1.589 6.533 -3.105) 7.406 18.610 ( 13.157 25.798 -53.446) 60.787 21.336 ( -20.088 -34.305 49.281) 63.317 22.702 ( -5.312 -6.746 17.894) 19.847 ======================= Grid point 494 (145/891) ======================= q-point: ( 0.24 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 12.821 12.096 14.800) 23.016 2.621 ( 14.531 13.964 23.026) 30.600 3.480 ( 10.820 10.557 43.583) 46.130 5.684 ( 24.118 29.537 -9.904) 39.398 7.988 ( 62.384 54.120 -6.647) 82.855 12.587 ( -9.205 -11.174 -20.413) 25.025 12.818 ( -2.572 9.579 6.317) 11.760 14.027 ( 18.959 7.332 -1.829) 20.409 15.427 ( 3.175 6.858 -3.621) 8.380 18.830 ( 4.196 15.840 -33.724) 37.494 20.899 ( -11.882 -22.444 24.326) 35.167 22.580 ( -7.088 -7.551 18.149) 20.896 ======================= Grid point 495 (146/891) ======================= q-point: ( 0.29 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 8.028 7.682 4.929) 12.155 2.997 ( 11.164 8.247 6.420) 15.293 3.946 ( 15.635 13.250 55.844) 59.486 6.406 ( 27.738 33.717 -8.761) 44.531 9.549 ( 65.398 48.989 -6.033) 81.934 12.182 ( -15.770 -15.458 -22.377) 31.438 12.872 ( -5.140 11.139 6.973) 14.111 14.454 ( 23.314 5.800 1.336) 24.062 15.544 ( 4.235 6.279 -3.627) 8.398 18.878 ( -3.295 9.854 -22.722) 24.985 20.643 ( -3.426 -13.660 8.143) 16.268 22.420 ( -8.877 -8.571 18.437) 22.185 ======================= Grid point 496 (147/891) ======================= q-point: ( 0.33 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( 5.213 4.513 3.170) 7.589 3.196 ( 5.805 3.977 -1.981) 7.310 4.562 ( 21.477 16.022 54.162) 60.427 7.184 ( 27.603 34.968 -7.668) 45.205 11.025 ( 56.961 36.441 -12.100) 68.694 11.685 ( -14.204 -11.833 -14.518) 23.507 12.899 ( -7.009 11.297 6.645) 14.862 14.899 ( 23.036 4.185 2.380) 23.534 15.665 ( 5.016 4.697 -3.433) 7.681 18.809 ( -6.751 6.961 -18.959) 21.295 20.548 ( 2.247 -7.886 0.086) 8.201 22.219 ( -10.831 -9.696 18.458) 23.495 ======================= Grid point 497 (148/891) ======================= q-point: ( 0.38 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( 3.539 2.637 2.189) 4.927 3.284 ( 2.706 1.920 -2.811) 4.349 5.247 ( 24.083 16.378 45.917) 54.374 7.941 ( 24.729 34.216 -6.714) 42.747 10.955 ( -22.826 -19.638 -24.046) 38.534 12.518 ( 55.283 34.701 0.595) 65.274 12.896 ( -7.515 11.792 5.482) 15.019 15.313 ( 20.922 4.133 2.587) 21.482 15.781 ( 5.722 2.464 -3.173) 6.992 18.705 ( -6.314 5.735 -18.681) 20.537 20.539 ( 4.077 -5.237 -3.052) 7.305 21.974 ( -12.810 -10.655 18.342) 24.780 ======================= Grid point 498 (149/891) ======================= q-point: ( 0.43 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.236 ( 2.430 1.432 1.549) 3.218 3.321 ( 1.111 0.996 -2.181) 2.643 5.926 ( 24.369 15.286 36.761) 46.678 8.619 ( 19.734 31.958 -5.670) 37.986 10.281 ( -26.144 -20.084 -20.139) 38.632 12.833 ( -9.688 8.894 4.114) 13.780 13.735 ( 47.698 28.839 0.046) 55.739 15.705 ( 19.471 6.447 2.323) 20.642 15.886 ( 6.264 0.210 -2.657) 6.807 18.606 ( -4.668 3.441 -18.258) 19.157 20.549 ( 3.619 -4.245 -5.032) 7.512 21.694 ( -14.122 -10.886 18.331) 25.572 ======================= Grid point 499 (150/891) ======================= q-point: ( 0.48 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( 1.581 0.592 1.071) 1.999 3.335 ( 0.344 0.616 -1.415) 1.581 6.548 ( 22.287 12.836 26.974) 37.270 9.168 ( 12.364 26.886 -4.385) 29.915 9.613 ( -24.766 -16.361 -16.110) 33.773 12.750 ( -10.671 8.045 1.813) 13.487 14.644 ( 32.320 18.031 1.107) 37.026 15.975 ( 6.074 -1.460 -1.796) 6.500 16.126 ( 20.061 10.954 1.493) 22.906 18.507 ( -2.742 -1.148 -16.017) 16.291 20.542 ( 2.058 -3.573 -7.737) 8.767 21.410 ( -13.446 -9.723 18.425) 24.795 ======================= Grid point 500 (151/891) ======================= q-point: ( 0.52 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( 0.843 0.021 0.699) 1.096 3.340 ( 0.053 0.474 -0.780) 0.914 7.021 ( 13.329 6.581 13.684) 20.205 9.047 ( -14.843 -12.322 -8.642) 21.139 9.570 ( 2.298 24.663 -2.153) 24.863 12.653 ( -9.872 7.997 -1.276) 12.769 15.160 ( 14.834 7.201 3.083) 16.775 16.044 ( 4.995 -2.938 -0.478) 5.815 16.555 ( 14.284 12.886 -1.369) 19.286 18.418 ( 2.052 -6.258 -10.419) 12.326 20.509 ( 0.835 -1.866 -11.120) 11.306 21.180 ( -9.948 -7.344 17.767) 21.646 ======================= Grid point 501 (152/891) ======================= q-point: (-0.43 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( 0.060 -0.320 0.657) 0.733 3.343 ( 0.077 0.387 -0.546) 0.673 7.077 ( -9.656 -6.733 -5.310) 12.913 8.922 ( 8.710 1.599 5.036) 10.188 9.728 ( -8.639 18.470 0.661) 20.401 12.581 ( -7.301 9.281 -4.788) 12.742 15.331 ( 1.254 -0.914 5.170) 5.398 16.080 ( 3.193 -3.913 0.898) 5.129 16.721 ( -5.294 4.354 -6.315) 9.320 18.447 ( 11.008 -5.860 -1.315) 12.540 20.499 ( 3.264 1.720 -13.780) 14.266 21.037 ( -5.636 -5.271 15.295) 17.132 ======================= Grid point 502 (153/891) ======================= q-point: (-0.38 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( -0.933 -0.608 0.816) 1.381 3.348 ( 0.325 0.373 -0.552) 0.741 6.623 ( -25.118 -14.454 -15.045) 32.652 9.309 ( 24.079 8.984 10.250) 27.669 9.640 ( -19.158 12.356 3.166) 23.016 12.566 ( -4.383 11.358 -7.671) 14.389 15.206 ( -13.171 -9.417 6.064) 17.290 16.078 ( 0.944 -4.549 1.919) 5.027 16.463 ( -18.598 -6.577 -7.186) 20.995 18.626 ( 11.929 -1.130 4.184) 12.692 20.588 ( 7.940 3.883 -13.168) 15.859 20.971 ( -1.270 -3.114 10.480) 11.007 ======================= Grid point 503 (154/891) ======================= q-point: (-0.33 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( -2.027 -0.900 0.839) 2.371 3.357 ( 0.424 0.343 -0.415) 0.686 5.949 ( -31.003 -16.423 -17.341) 39.136 9.278 ( -28.975 3.781 3.898) 29.479 9.955 ( 30.355 13.221 9.699) 34.501 12.601 ( -3.019 12.924 -9.085) 16.083 14.700 ( -32.724 -19.923 4.411) 38.565 16.005 ( -9.080 -8.797 -2.772) 12.943 16.077 ( -9.607 -6.405 2.191) 11.753 18.805 ( 6.697 2.768 4.975) 8.789 20.692 ( 3.518 -1.708 -2.985) 4.919 21.042 ( 9.456 3.462 -1.752) 10.221 ======================= Grid point 504 (155/891) ======================= q-point: (-0.29 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( -3.359 -1.216 0.817) 3.665 3.365 ( 0.186 0.168 -0.216) 0.330 5.190 ( -34.411 -16.910 -17.220) 42.031 8.746 ( -36.771 -0.777 3.762) 36.971 10.644 ( 33.302 12.571 7.587) 36.395 12.650 ( -3.501 13.213 -9.178) 16.464 13.779 ( -49.412 -27.632 2.833) 56.684 15.655 ( -14.069 -12.636 -0.720) 18.924 15.978 ( -3.578 -4.100 4.242) 6.900 18.938 ( 2.833 5.966 4.939) 8.247 20.664 ( -0.840 -5.961 1.327) 6.164 21.303 ( 15.580 6.337 -7.318) 18.343 ======================= Grid point 505 (156/891) ======================= q-point: (-0.24 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( -5.188 -1.626 0.819) 5.498 3.362 ( -0.586 -0.237 -0.098) 0.640 4.381 ( -37.011 -16.809 -15.410) 43.472 8.074 ( -41.320 -4.245 3.086) 41.652 11.328 ( 31.842 10.699 3.503) 33.774 12.525 ( -47.817 -26.155 0.356) 54.504 12.736 ( -16.654 7.767 -4.507) 18.920 15.288 ( -14.444 -14.871 1.012) 20.756 15.881 ( -5.053 -3.530 4.139) 7.424 19.059 ( 1.841 8.701 6.235) 10.861 20.575 ( -1.760 -7.605 -1.857) 8.024 21.606 ( 15.428 5.794 -6.246) 17.624 ======================= Grid point 506 (157/891) ======================= q-point: (-0.19 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( -7.979 -2.285 0.896) 8.348 3.334 ( -2.122 -0.834 -1.749) 2.873 3.548 ( -38.858 -16.103 -9.766) 43.181 7.317 ( -43.221 -6.456 2.106) 43.751 11.112 ( -65.939 -30.905 -4.784) 72.979 12.002 ( 27.014 4.923 8.828) 28.843 12.722 ( -6.374 13.860 -5.947) 16.373 14.885 ( -15.981 -16.366 1.631) 22.933 15.766 ( -6.298 -2.830 3.834) 7.897 19.217 ( 3.209 10.909 10.162) 15.250 20.449 ( -2.072 -8.741 -8.716) 12.517 21.888 ( 13.716 4.796 -3.646) 14.981 ======================= Grid point 507 (158/891) ======================= q-point: (-0.14 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -37.682 -14.254 -5.906) 40.718 2.834 ( -13.819 -3.010 0.704) 14.160 3.263 ( -5.371 -2.156 2.465) 6.291 6.536 ( -41.935 -7.243 0.860) 42.564 9.609 ( -74.503 -30.845 -2.050) 80.661 12.473 ( 19.385 2.780 -0.100) 19.583 12.749 ( -2.731 12.801 -1.236) 13.147 14.456 ( -16.847 -15.663 1.724) 23.067 15.639 ( -7.015 -2.244 3.288) 8.066 19.439 ( 5.132 11.939 18.090) 22.274 20.291 ( -1.487 -9.130 -19.242) 21.350 22.137 ( 11.802 3.815 -0.609) 12.418 ======================= Grid point 508 (159/891) ======================= q-point: (-0.10 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -36.958 -11.136 8.218) 39.464 2.533 ( -19.932 -4.147 1.783) 20.437 3.113 ( -10.858 -3.448 2.929) 11.763 5.807 ( -36.489 -6.322 -0.753) 37.041 8.052 ( -76.959 -25.601 -2.229) 81.136 12.625 ( -2.200 7.621 -5.252) 9.513 12.913 ( 8.890 0.773 2.711) 9.326 14.063 ( -13.531 -10.745 0.620) 17.289 15.509 ( -6.979 -1.887 2.398) 7.617 19.668 ( 0.976 6.503 16.818) 18.058 20.166 ( 5.163 -3.706 -19.194) 20.218 22.354 ( 9.919 2.777 2.376) 10.571 ======================= Grid point 509 (160/891) ======================= q-point: (-0.05 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -30.180 -6.026 35.720) 47.149 2.081 ( -29.838 -4.615 3.014) 30.343 2.817 ( -22.724 -4.508 5.017) 23.704 5.217 ( -26.998 -3.761 -2.768) 27.399 6.587 ( -71.195 -14.970 -3.413) 72.832 12.624 ( -4.982 8.149 -2.747) 9.939 12.935 ( -3.111 -8.148 1.990) 8.946 13.856 ( -2.752 -2.336 -3.861) 5.285 15.386 ( -6.093 -1.737 1.018) 6.418 19.529 ( -11.059 -6.785 -42.570) 44.504 20.440 ( 18.578 8.828 41.305) 46.143 22.535 ( 7.900 1.535 5.129) 9.543 ======================= Grid point 513 (161/891) ======================= q-point: ( 0.14 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 0.000 34.701 10.959) 36.390 1.943 ( 0.000 13.793 55.127) 56.826 2.721 ( 0.000 30.578 45.090) 54.480 4.824 ( -0.000 19.059 -10.840) 21.926 5.647 ( -0.000 61.003 -11.743) 62.123 12.530 ( 0.000 -0.993 1.717) 1.983 12.899 ( -0.000 8.575 -2.716) 8.995 13.686 ( -0.000 4.461 -16.730) 17.314 15.331 ( -0.000 5.923 -0.078) 5.924 18.269 ( -0.000 51.619 -72.937) 89.355 21.796 ( 0.000 -62.927 69.883) 94.039 22.797 ( 0.000 -8.694 20.214) 22.005 ======================= Grid point 514 (162/891) ======================= q-point: ( 0.19 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 9.693 26.894 11.603) 30.852 2.255 ( 4.975 12.634 44.303) 46.337 3.164 ( 6.799 19.332 46.175) 50.519 5.095 ( 10.320 26.271 -11.495) 30.476 6.467 ( 23.904 70.598 -10.289) 75.242 12.596 ( 7.268 -2.135 -1.403) 7.704 12.888 ( -3.466 1.224 -9.466) 10.155 13.732 ( 0.104 12.693 -8.218) 15.121 15.388 ( -0.334 7.340 -0.798) 7.390 18.602 ( 6.698 37.620 -53.165) 65.473 21.315 ( -9.470 -49.096 47.820) 69.187 22.746 ( -2.657 -8.715 19.093) 21.155 ======================= Grid point 515 (163/891) ======================= q-point: ( 0.24 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 7.869 12.682 18.962) 24.131 2.616 ( 10.385 16.105 17.482) 25.939 3.576 ( 7.655 13.933 52.172) 54.540 5.611 ( 19.365 34.769 -10.876) 41.258 7.678 ( 41.346 68.680 -8.317) 80.596 12.542 ( -5.174 -10.817 -19.760) 23.114 12.911 ( 5.175 5.599 2.971) 8.183 13.892 ( 5.277 14.137 -2.432) 15.284 15.463 ( 0.729 8.063 -1.744) 8.282 18.876 ( 3.392 26.626 -35.988) 44.895 20.854 ( -7.961 -36.240 26.737) 45.734 22.649 ( -4.790 -9.393 19.008) 21.736 ======================= Grid point 516 (164/891) ======================= q-point: ( 0.29 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 6.820 8.538 7.117) 13.041 2.939 ( 8.623 9.873 8.557) 15.654 4.021 ( 11.001 14.747 58.830) 61.640 6.322 ( 24.050 41.286 -9.505) 48.716 9.067 ( 51.142 60.336 -7.329) 79.434 12.196 ( -12.013 -15.542 -23.475) 30.610 13.075 ( 0.933 11.993 6.249) 13.555 14.167 ( 14.770 8.517 -0.558) 17.059 15.553 ( 1.711 7.288 -2.316) 7.836 19.014 ( -3.412 19.067 -23.906) 30.768 20.524 ( -1.695 -25.271 10.286) 27.337 22.511 ( -6.711 -10.311 19.020) 22.652 ======================= Grid point 517 (165/891) ======================= q-point: ( 0.33 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 4.990 5.080 2.816) 7.658 3.144 ( 5.558 5.541 1.412) 7.974 4.564 ( 15.940 16.504 57.543) 61.948 7.126 ( 24.354 44.819 -8.205) 51.664 10.457 ( 52.776 46.871 -9.866) 71.271 11.749 ( -14.088 -14.672 -19.081) 27.889 13.188 ( -6.287 16.822 6.440) 19.078 14.533 ( 22.138 2.606 0.266) 22.292 15.642 ( 2.456 5.149 -2.883) 6.392 19.001 ( -9.568 13.925 -17.844) 24.573 20.370 ( 5.050 -16.350 0.404) 17.117 22.332 ( -8.620 -11.312 18.850) 23.613 ======================= Grid point 518 (166/891) ======================= q-point: ( 0.38 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( 3.676 2.827 1.219) 4.795 3.254 ( 2.969 3.110 -0.802) 4.373 5.177 ( 19.436 16.608 50.209) 56.343 7.933 ( 21.619 45.971 -7.163) 51.303 10.994 ( -11.245 -17.193 -27.292) 34.160 12.008 ( 45.693 38.120 1.725) 59.531 13.229 ( -11.121 18.746 5.415) 22.460 14.944 ( 24.944 -0.040 1.088) 24.968 15.718 ( 3.332 2.491 -3.674) 5.550 18.890 ( -11.594 10.992 -16.618) 23.052 20.350 ( 7.992 -11.235 -3.436) 14.209 22.111 ( -10.549 -12.130 18.532) 24.533 ======================= Grid point 519 (167/891) ======================= q-point: ( 0.43 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( 2.768 1.382 0.438) 3.124 3.310 ( 1.302 1.849 -0.905) 2.436 5.802 ( 21.008 15.274 40.979) 48.517 8.679 ( 16.758 45.076 -6.210) 48.489 10.419 ( -21.513 -21.511 -22.121) 37.615 13.106 ( 15.343 24.287 2.326) 28.822 13.296 ( 19.145 27.414 2.142) 33.506 15.370 ( 25.282 0.677 1.843) 25.358 15.784 ( 4.466 0.254 -4.353) 6.242 18.742 ( -11.097 7.329 -16.459) 21.160 20.377 ( 7.798 -8.729 -5.054) 12.749 21.853 ( -12.154 -12.304 18.213) 25.116 ======================= Grid point 520 (168/891) ======================= q-point: ( 0.48 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( 2.059 0.460 -0.046) 2.110 3.335 ( 0.361 1.179 -0.411) 1.300 6.392 ( 20.673 12.805 31.022) 39.417 9.296 ( 8.471 36.562 -5.886) 37.989 9.806 ( -21.174 -13.260 -16.917) 30.172 13.102 ( -15.867 16.825 1.591) 23.181 14.246 ( 38.743 23.281 1.644) 45.230 15.815 ( 20.581 0.552 -0.448) 20.594 15.862 ( 11.002 2.974 -1.849) 11.545 18.561 ( -9.903 0.385 -15.299) 18.228 20.404 ( 6.133 -6.682 -6.997) 11.455 21.579 ( -12.634 -11.377 17.994) 24.755 ======================= Grid point 521 (169/891) ======================= q-point: ( 0.52 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( 1.439 -0.054 -0.360) 1.485 3.346 ( -0.090 0.768 0.126) 0.783 6.886 ( 16.271 8.182 19.164) 26.438 9.147 ( -16.708 -15.985 -11.482) 25.817 9.874 ( -0.537 40.873 -3.396) 41.017 12.988 ( -16.297 15.893 -1.127) 22.791 14.941 ( 22.967 11.351 3.732) 25.890 15.907 ( 6.245 -3.567 -3.811) 8.139 16.360 ( 24.978 12.316 1.228) 27.877 18.334 ( -6.605 -9.679 -12.304) 16.991 20.413 ( 4.032 -3.803 -9.938) 11.379 21.326 ( -11.099 -9.490 17.734) 22.973 ======================= Grid point 522 (170/891) ======================= q-point: ( 0.57 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.305 ( 0.866 -0.277 -0.420) 1.001 3.349 ( -0.266 0.489 0.405) 0.688 7.109 ( -0.093 -2.150 2.146) 3.039 8.841 ( -0.825 -6.025 -0.098) 6.082 10.163 ( -10.484 36.893 -0.473) 38.357 12.875 ( -14.219 16.310 -4.356) 22.072 15.271 ( 8.180 1.792 5.772) 10.171 15.959 ( 5.629 -4.457 -2.317) 7.545 16.794 ( 7.195 12.207 -2.545) 14.397 18.153 ( 7.204 -16.652 -5.720) 19.024 20.420 ( 3.266 0.245 -13.279) 13.677 21.133 ( -7.836 -7.746 16.989) 20.249 ======================= Grid point 523 (171/891) ======================= q-point: (-0.38 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( 0.128 -0.452 -0.027) 0.471 3.350 ( -0.182 0.420 0.170) 0.489 6.838 ( -19.809 -11.829 -10.668) 25.419 9.028 ( 19.699 4.393 8.436) 21.875 10.211 ( -22.833 29.777 2.077) 37.581 12.818 ( -10.523 18.553 -7.320) 22.551 15.296 ( -4.829 -6.292 6.516) 10.265 15.993 ( 3.935 -4.622 -0.530) 6.093 16.706 ( -18.340 -3.912 -6.007) 19.691 18.303 ( 22.721 -7.556 1.341) 23.982 20.469 ( 5.506 3.637 -15.525) 16.870 21.008 ( -4.201 -6.653 15.372) 17.269 ======================= Grid point 524 (172/891) ======================= q-point: (-0.33 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( -1.014 -0.639 0.591) 1.336 3.354 ( 0.173 0.479 -0.367) 0.628 6.258 ( -28.544 -14.190 -13.358) 34.562 9.515 ( 24.894 7.053 8.081) 27.106 10.006 ( -29.763 22.115 3.541) 37.249 12.837 ( -7.882 21.222 -8.837) 24.302 14.998 ( -21.545 -15.285 5.256) 26.934 15.989 ( 0.531 -4.881 -0.350) 4.922 16.245 ( -20.249 -13.766 -2.023) 24.568 18.640 ( 18.056 1.434 2.549) 18.291 20.570 ( 6.703 1.583 -13.098) 14.798 20.965 ( 1.821 -3.468 10.670) 11.366 ======================= Grid point 525 (173/891) ======================= q-point: (-0.29 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( -2.302 -0.727 0.897) 2.576 3.361 ( 0.280 0.428 -0.730) 0.891 5.566 ( -33.115 -14.006 -12.185) 37.964 9.467 ( -38.876 12.512 3.533) 40.992 10.219 ( 30.182 9.691 5.527) 32.178 12.897 ( -7.771 22.368 -8.789) 25.258 14.296 ( -40.456 -23.233 2.884) 46.742 15.750 ( -14.261 -16.100 -1.370) 21.551 15.991 ( -1.967 -4.888 4.049) 6.645 18.921 ( 9.686 7.508 1.938) 12.408 20.591 ( 1.452 -6.637 -3.968) 7.868 21.101 ( 12.129 2.803 0.746) 12.471 ======================= Grid point 526 (174/891) ======================= q-point: (-0.24 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( -3.851 -0.784 1.009) 4.058 3.364 ( -0.097 0.242 -1.299) 1.325 4.822 ( -36.499 -12.995 -8.630) 39.693 8.845 ( -46.804 7.981 2.479) 47.544 10.865 ( 34.128 7.516 2.485) 35.034 12.919 ( -14.638 15.294 -7.496) 22.458 13.291 ( -48.177 -19.922 2.135) 52.177 15.357 ( -12.920 -18.546 1.830) 22.676 15.924 ( -2.929 -3.492 3.105) 5.515 19.133 ( 4.166 12.142 2.083) 13.005 20.497 ( -0.786 -10.945 -2.325) 11.216 21.376 ( 15.887 3.940 -1.744) 16.461 ======================= Grid point 527 (175/891) ======================= q-point: (-0.19 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( -5.991 -0.903 1.070) 6.153 3.349 ( -1.326 0.005 -3.661) 3.894 4.056 ( -38.879 -11.321 -1.005) 40.506 8.094 ( -49.718 3.787 1.265) 49.878 11.471 ( 25.550 4.982 -6.326) 26.788 12.003 ( -55.524 -25.043 6.731) 61.281 13.021 ( -10.993 19.863 -4.657) 23.175 14.962 ( -13.323 -19.202 2.683) 23.525 15.840 ( -4.496 -2.547 2.401) 5.698 19.325 ( 2.377 15.323 4.316) 16.096 20.349 ( -1.491 -13.284 -6.134) 14.707 21.675 ( 15.583 3.261 -0.198) 15.922 ======================= Grid point 528 (176/891) ======================= q-point: (-0.14 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( -9.775 -1.405 0.969) 9.923 3.209 ( -23.629 -3.109 -18.143) 29.953 3.397 ( -19.310 -5.489 22.350) 30.042 7.280 ( -49.676 0.647 -0.140) 49.680 10.582 ( -71.077 -19.712 -3.714) 73.853 12.089 ( 27.924 1.882 0.658) 27.995 13.008 ( -10.519 15.941 -2.434) 19.253 14.561 ( -14.221 -16.798 2.458) 22.146 15.738 ( -5.943 -1.768 1.632) 6.411 19.547 ( 3.535 16.654 9.385) 19.440 20.158 ( -1.892 -14.432 -13.093) 19.578 21.953 ( 13.974 2.360 2.398) 14.373 ======================= Grid point 529 (177/891) ======================= q-point: (-0.10 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -37.553 -3.885 8.499) 38.698 2.807 ( -14.933 -0.897 1.949) 15.086 3.259 ( -7.748 -1.404 9.326) 12.206 6.467 ( -46.124 -0.964 -1.829) 46.170 9.166 ( -77.533 -11.870 -2.744) 78.485 12.512 ( 20.215 2.063 -4.910) 20.905 12.957 ( -8.848 7.328 0.893) 11.523 14.195 ( -14.014 -9.829 1.168) 17.157 15.617 ( -6.978 -1.353 0.671) 7.140 19.756 ( -1.418 4.039 -0.314) 4.292 20.003 ( 5.596 -2.394 -4.369) 7.492 22.200 ( 12.045 1.358 5.156) 13.172 ======================= Grid point 530 (178/891) ======================= q-point: (-0.05 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -34.036 1.072 31.146) 46.149 2.504 ( -21.727 -0.412 2.930) 21.927 3.110 ( -12.835 -0.001 9.196) 15.789 5.739 ( -38.307 -0.266 -3.926) 38.509 7.782 ( -78.948 0.547 -3.338) 79.020 12.761 ( 5.397 7.230 -7.965) 12.035 12.857 ( -3.402 -6.777 3.946) 8.549 13.937 ( -10.216 -0.453 -1.938) 10.408 15.485 ( -7.189 -1.266 -0.731) 7.336 19.516 ( -9.733 -10.286 -35.981) 38.667 20.335 ( 16.647 10.683 31.955) 37.582 22.410 ( 10.018 0.140 7.808) 12.703 ======================= Grid point 535 (179/891) ======================= q-point: ( 0.19 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 0.000 24.361 10.665) 26.593 2.445 ( 0.000 11.655 33.844) 35.794 3.435 ( 0.000 17.496 54.132) 56.889 5.241 ( -0.000 30.805 -12.111) 33.100 6.984 ( -0.000 80.295 -10.207) 80.941 12.518 ( 0.000 -1.245 1.600) 2.028 12.828 ( -0.000 -7.767 -21.836) 23.177 13.902 ( -0.000 21.295 -0.448) 21.299 15.463 ( -0.000 7.556 0.104) 7.557 18.779 ( -0.000 36.817 -45.513) 58.540 21.022 ( 0.000 -49.551 37.954) 62.416 22.732 ( 0.000 -9.824 19.306) 21.661 ======================= Grid point 536 (180/891) ======================= q-point: ( 0.24 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 3.251 10.423 19.058) 21.964 2.683 ( 5.459 17.102 11.168) 21.142 3.785 ( 3.468 15.630 59.241) 61.367 5.645 ( 13.166 36.916 -11.516) 40.850 7.892 ( 17.363 80.028 -9.221) 82.407 12.471 ( -4.379 -8.414 -13.918) 16.843 12.757 ( 10.418 -4.475 -9.636) 14.880 14.093 ( -3.842 23.289 2.553) 23.742 15.536 ( -0.238 8.108 -0.333) 8.118 19.012 ( 1.787 30.028 -34.685) 45.912 20.631 ( -2.941 -42.026 24.142) 48.556 22.666 ( -2.425 -10.691 19.348) 22.238 ======================= Grid point 537 (181/891) ======================= q-point: ( 0.29 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( 4.491 7.622 8.162) 12.037 2.943 ( 5.823 10.896 7.903) 14.666 4.191 ( 6.723 16.005 61.434) 63.839 6.309 ( 22.787 42.644 -9.962) 49.366 9.006 ( 29.667 71.850 -8.670) 78.216 12.166 ( -10.020 -14.445 -23.280) 29.172 12.988 ( 17.105 1.385 1.338) 17.214 14.240 ( -4.463 20.756 2.242) 21.348 15.607 ( -0.126 7.424 -1.162) 7.516 19.198 ( -1.144 23.330 -24.640) 33.952 20.284 ( -0.424 -32.474 10.745) 34.208 22.554 ( -4.613 -11.561 19.275) 22.944 ======================= Grid point 538 (182/891) ======================= q-point: ( 0.33 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( 4.246 4.904 2.286) 6.878 3.129 ( 4.286 6.624 4.106) 8.895 4.668 ( 10.781 16.853 58.967) 62.269 7.135 ( 26.032 47.043 -8.468) 54.428 10.169 ( 36.242 55.668 -11.033) 67.336 11.775 ( -11.620 -12.325 -19.638) 25.935 13.305 ( 13.149 7.653 4.719) 15.929 14.378 ( 1.350 13.946 0.269) 14.014 15.664 ( 0.074 5.165 -2.294) 5.652 19.264 ( -8.058 17.929 -17.240) 26.146 20.077 ( 6.368 -23.211 0.460) 24.073 22.398 ( -6.635 -12.406 19.009) 23.648 ======================= Grid point 539 (183/891) ======================= q-point: ( 0.38 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( 3.572 2.825 -0.021) 4.554 3.244 ( 2.568 4.047 1.723) 5.093 5.200 ( 14.385 16.604 52.374) 56.795 8.008 ( 24.122 50.083 -7.379) 56.077 10.857 ( 3.758 -4.616 -27.043) 27.690 11.789 ( 22.716 34.365 -0.060) 41.195 13.557 ( 0.241 16.524 6.025) 17.590 14.586 ( 14.025 4.063 -1.269) 14.657 15.698 ( 0.710 2.547 -3.777) 4.610 19.185 ( -13.622 13.492 -14.125) 23.814 20.039 ( 11.522 -16.164 -4.442) 20.341 22.201 ( -8.550 -13.017 18.553) 24.223 ======================= Grid point 540 (184/891) ======================= q-point: ( 0.43 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( 2.921 1.413 -0.816) 3.346 3.310 ( 1.219 2.508 0.770) 2.893 5.752 ( 16.725 15.094 43.625) 49.099 8.843 ( 18.790 51.052 -6.612) 54.800 10.460 ( -15.656 -21.088 -23.707) 35.381 12.784 ( 40.616 39.890 1.232) 56.941 13.658 ( -11.640 21.960 4.625) 25.281 14.922 ( 24.901 -2.175 -0.701) 25.005 15.722 ( 1.958 0.810 -5.112) 5.534 19.008 ( -15.534 8.634 -13.391) 22.252 20.092 ( 12.172 -11.950 -5.923) 18.057 21.968 ( -10.225 -13.045 17.966) 24.444 ======================= Grid point 541 (185/891) ======================= q-point: ( 0.48 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( 2.357 0.520 -1.046) 2.631 3.343 ( 0.329 1.551 0.576) 1.687 6.285 ( 17.579 12.581 33.858) 40.171 9.504 ( 4.623 30.616 -8.944) 32.229 9.976 ( -11.871 0.494 -15.540) 19.562 13.573 ( -12.030 24.274 1.583) 27.138 13.859 ( 32.954 27.587 2.287) 43.038 15.359 ( 29.788 -2.567 0.060) 29.898 15.758 ( 3.922 0.395 -5.344) 6.641 18.752 ( -16.241 0.622 -12.379) 20.430 20.169 ( 10.640 -8.305 -7.166) 15.282 21.714 ( -11.235 -12.212 17.321) 23.987 ======================= Grid point 542 (186/891) ======================= q-point: ( 0.52 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( 1.852 0.026 -1.073) 2.140 3.357 ( -0.162 0.918 0.677) 1.152 6.756 ( 15.928 8.791 22.901) 29.248 9.230 ( -16.744 -17.508 -13.255) 27.615 10.313 ( 1.721 51.501 -4.219) 51.702 13.480 ( -20.625 21.514 -0.875) 29.816 14.647 ( 28.715 16.572 4.050) 33.400 15.738 ( 10.958 -3.454 -6.318) 13.112 15.974 ( 28.273 5.713 1.383) 28.877 18.401 ( -16.248 -10.420 -10.596) 22.019 20.243 ( 8.212 -4.371 -9.098) 13.012 21.463 ( -11.003 -10.680 16.705) 22.676 ======================= Grid point 543 (187/891) ======================= q-point: ( 0.57 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.282 ( 1.378 -0.184 -1.018) 1.723 3.361 ( -0.371 0.503 0.826) 1.036 7.062 ( 6.769 1.676 8.759) 11.196 8.828 ( -8.166 -11.379 -4.609) 14.745 10.752 ( -8.478 50.439 -1.577) 51.170 13.332 ( -19.889 20.653 -3.814) 28.925 15.128 ( 14.766 5.112 6.520) 16.931 15.808 ( 6.183 -3.517 -5.956) 9.277 16.602 ( 30.761 11.721 0.944) 32.932 17.964 ( -11.844 -22.929 -7.813) 26.964 20.309 ( 5.933 -0.273 -11.698) 13.119 21.242 ( -9.285 -9.219 16.241) 20.856 ======================= Grid point 544 (188/891) ======================= q-point: (-0.38 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.296 ( 0.879 -0.266 -0.857) 1.256 3.361 ( -0.409 0.305 0.843) 0.986 6.989 ( -12.243 -7.978 -5.468) 15.603 8.800 ( 11.652 -0.722 5.449) 12.883 10.960 ( -22.234 44.369 1.139) 49.642 13.219 ( -15.777 22.113 -6.786) 27.998 15.291 ( 1.814 -3.569 7.093) 8.145 15.863 ( 5.994 -3.438 -3.787) 7.879 16.941 ( -10.819 1.457 -3.385) 11.429 17.754 ( 25.140 -19.220 -1.103) 31.664 20.377 ( 5.005 3.366 -14.516) 15.719 21.069 ( -6.520 -8.550 16.047) 19.316 ======================= Grid point 545 (189/891) ======================= q-point: (-0.33 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.300 ( 0.159 -0.381 -0.442) 0.605 3.360 ( -0.271 0.342 0.501) 0.664 6.547 ( -24.375 -11.374 -9.612) 28.564 9.157 ( 24.468 3.940 6.995) 25.752 10.860 ( -35.685 34.733 2.710) 49.871 13.204 ( -11.213 25.721 -8.480) 29.312 15.161 ( -11.583 -11.048 5.607) 16.961 15.909 ( 3.820 -3.438 -1.825) 5.454 16.457 ( -24.516 -19.643 -2.084) 31.484 18.224 ( 32.466 -0.744 1.034) 32.491 20.459 ( 4.993 4.353 -16.259) 17.556 20.955 ( -2.411 -7.724 15.613) 17.585 ======================= Grid point 546 (190/891) ======================= q-point: (-0.29 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( -0.948 -0.495 0.150) 1.080 3.362 ( -0.006 0.451 -0.211) 0.498 5.950 ( -30.344 -10.845 -8.093) 33.225 9.668 ( 27.251 4.782 4.865) 28.092 10.487 ( -41.761 24.617 2.328) 48.533 13.271 ( -9.980 28.112 -8.270) 30.957 14.692 ( -29.578 -17.965 3.019) 34.738 15.808 ( -12.600 -17.948 -3.199) 22.161 15.985 ( -4.175 -8.383 4.431) 10.360 18.722 ( 23.125 5.934 0.510) 23.879 20.496 ( 1.393 -1.843 -11.897) 12.119 20.964 ( 6.223 -2.709 10.390) 12.410 ======================= Grid point 547 (191/891) ======================= q-point: (-0.24 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( -2.300 -0.504 0.504) 2.408 3.365 ( -0.021 0.439 -1.077) 1.163 5.293 ( -34.391 -9.098 -3.853) 35.782 9.747 ( -41.770 13.130 2.334) 43.847 10.397 ( 24.826 7.115 0.722) 25.836 13.333 ( -13.160 25.872 -6.971) 29.852 13.879 ( -43.660 -19.433 1.490) 47.813 15.376 ( -12.191 -22.200 2.200) 25.422 15.932 ( -1.075 -2.988 1.809) 3.655 19.112 ( 13.816 11.057 -0.090) 17.696 20.403 ( -2.152 -9.255 -5.949) 11.210 21.156 ( 13.641 1.404 4.421) 14.408 ======================= Grid point 548 (192/891) ======================= q-point: (-0.19 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( -3.963 -0.490 0.583) 4.036 3.359 ( -0.693 0.399 -2.661) 2.779 4.613 ( -37.343 -6.678 3.451) 38.092 9.026 ( -53.152 8.197 0.516) 53.783 10.972 ( 33.733 3.842 -2.619) 34.052 12.770 ( -55.396 -15.975 0.561) 57.656 13.422 ( -13.923 20.774 -3.450) 25.245 14.984 ( -11.242 -20.076 3.100) 23.218 15.881 ( -2.582 -2.065 0.718) 3.383 19.411 ( 7.463 14.866 0.337) 16.638 20.231 ( -3.087 -13.225 -5.848) 14.786 21.437 ( 16.026 1.737 3.959) 16.599 ======================= Grid point 549 (193/891) ======================= q-point: (-0.14 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( -6.288 -0.520 0.494) 6.328 3.323 ( -3.402 0.705 -7.360) 8.139 3.954 ( -37.665 -3.717 16.779) 41.400 8.174 ( -54.201 2.794 -1.021) 54.282 11.452 ( -10.616 1.532 -16.445) 19.634 11.716 ( -22.311 -10.090 11.674) 27.126 13.359 ( -13.914 13.796 -1.077) 19.624 14.635 ( -11.688 -13.172 2.156) 17.742 15.809 ( -4.149 -1.317 -0.205) 4.358 19.664 ( 4.905 15.231 2.064) 16.133 20.021 ( -3.378 -13.869 -8.693) 16.713 21.732 ( 15.651 1.084 5.711) 16.696 ======================= Grid point 550 (194/891) ======================= q-point: (-0.10 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( -11.141 -0.184 0.200) 11.144 3.134 ( -21.442 2.388 -8.076) 23.037 3.478 ( -19.994 -1.230 30.279) 36.305 7.285 ( -51.995 -0.343 -2.637) 52.063 10.370 ( -72.790 0.998 -3.602) 72.886 12.088 ( 28.109 -0.832 -5.047) 28.570 13.207 ( -13.261 1.700 2.107) 13.535 14.363 ( -12.753 -1.401 0.431) 12.837 15.714 ( -5.803 -0.855 -1.049) 5.959 19.717 ( -2.554 -14.188 -14.778) 20.645 19.983 ( 4.666 14.597 7.139) 16.906 22.007 ( 14.036 0.183 8.048) 16.181 ======================= Grid point 551 (195/891) ======================= q-point: (-0.05 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( -31.372 6.188 16.854) 36.147 2.817 ( -15.753 0.536 3.506) 16.147 3.329 ( -9.992 0.673 19.672) 22.074 6.444 ( -46.299 0.438 -4.523) 46.521 9.161 ( -77.727 13.090 -3.263) 78.889 12.476 ( 21.727 -1.620 -9.545) 23.786 12.981 ( -10.829 -6.733 4.101) 13.395 14.179 ( -13.825 8.651 -0.815) 16.329 15.593 ( -7.160 -0.665 -2.102) 7.492 19.442 ( -5.811 -13.958 -25.262) 29.441 20.290 ( 10.576 12.899 17.567) 24.225 22.248 ( 11.977 -0.974 10.459) 15.931 ======================= Grid point 557 (196/891) ======================= q-point: ( 0.24 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 0.000 8.462 12.993) 15.506 2.823 ( 0.000 14.574 9.173) 17.220 4.084 ( 0.000 16.148 62.653) 64.701 5.864 ( -0.000 39.799 -11.411) 41.403 8.523 ( -0.000 82.519 -9.451) 83.059 12.462 ( -0.000 -13.520 -27.681) 30.806 12.498 ( 0.000 -1.867 1.621) 2.472 14.383 ( -0.000 25.089 4.884) 25.560 15.619 ( -0.000 8.397 0.088) 8.398 19.178 ( -0.000 25.194 -29.790) 39.016 20.317 ( 0.000 -37.813 16.880) 41.410 22.633 ( 0.000 -11.653 19.423) 22.650 ======================= Grid point 558 (197/891) ======================= q-point: ( 0.29 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( 1.903 6.636 6.218) 9.291 2.996 ( 2.861 10.286 7.653) 13.136 4.444 ( 3.003 16.609 62.335) 64.579 6.362 ( 15.163 42.768 -10.194) 46.508 9.371 ( 11.221 76.275 -10.091) 77.754 12.136 ( -9.788 -12.379 -22.805) 27.733 12.666 ( 17.296 -2.769 -1.391) 17.571 14.583 ( -6.148 24.236 4.845) 25.469 15.691 ( -1.085 7.960 -0.390) 8.043 19.317 ( 2.373 14.448 -22.883) 27.167 20.027 ( -1.594 -25.509 7.316) 26.585 22.551 ( -2.389 -12.458 19.300) 23.096 ======================= Grid point 559 (198/891) ======================= q-point: ( 0.33 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( 2.685 4.685 1.760) 5.679 3.147 ( 2.977 6.722 5.318) 9.074 4.855 ( 6.321 16.870 58.740) 61.440 7.113 ( 25.820 45.211 -8.617) 52.773 10.248 ( 17.111 57.197 -14.170) 61.360 11.811 ( -9.619 -4.703 -17.234) 20.289 12.993 ( 23.510 -1.189 0.988) 23.561 14.681 ( -10.250 22.578 3.344) 25.021 15.727 ( -2.156 5.667 -1.781) 6.319 19.408 ( 4.718 3.580 -16.459) 17.492 19.819 ( -3.008 -11.542 -1.082) 11.977 22.422 ( -4.626 -13.104 18.957) 23.505 ======================= Grid point 560 (199/891) ======================= q-point: ( 0.38 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.074 ( 2.784 2.965 -0.457) 4.093 3.254 ( 2.048 4.345 3.214) 5.780 5.307 ( 9.615 16.275 52.492) 55.792 8.012 ( 29.515 47.662 -7.387) 56.545 10.705 ( 2.579 1.379 -26.531) 26.691 11.877 ( 9.122 38.048 -1.390) 39.151 13.412 ( 24.917 1.477 3.242) 25.171 14.709 ( -10.976 19.489 0.800) 22.382 15.723 ( -1.998 2.825 -3.802) 5.140 19.437 ( -1.235 2.375 -12.596) 12.878 19.703 ( 2.526 -7.949 -5.641) 10.069 22.252 ( -6.658 -13.425 18.364) 23.702 ======================= Grid point 561 (200/891) ======================= q-point: ( 0.43 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( 2.591 1.653 -1.289) 3.332 3.320 ( 1.040 2.801 1.864) 3.522 5.778 ( 12.218 14.629 44.394) 48.312 8.942 ( 26.530 49.703 -6.652) 56.732 10.409 ( -10.494 -19.677 -24.623) 33.220 12.647 ( 25.765 47.253 1.471) 53.841 13.837 ( 17.408 7.777 5.430) 19.825 14.720 ( -4.119 11.947 -2.438) 12.871 15.705 ( -0.581 1.298 -5.533) 5.713 19.302 ( -13.343 2.574 -10.351) 17.082 19.739 ( 12.438 -8.702 -7.524) 16.942 22.047 ( -8.425 -13.180 17.508) 23.478 ======================= Grid point 562 (201/891) ======================= q-point: ( 0.48 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( 2.309 0.752 -1.454) 2.830 3.357 ( 0.254 1.754 1.182) 2.131 6.239 ( 13.773 12.104 35.149) 39.644 9.649 ( 1.007 14.868 -12.455) 19.421 10.096 ( 4.436 16.949 -13.047) 21.844 13.545 ( 30.207 37.683 1.897) 48.333 14.097 ( -5.687 19.584 4.875) 20.968 14.865 ( 18.591 -1.791 -3.399) 18.984 15.705 ( 1.321 1.107 -6.265) 6.498 19.004 ( -17.658 -4.586 -8.966) 20.328 19.869 ( 13.207 -5.452 -8.093) 16.421 21.818 ( -9.745 -12.265 16.421) 22.695 ======================= Grid point 563 (202/891) ======================= q-point: ( 0.52 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( 2.007 0.206 -1.362) 2.434 3.372 ( -0.246 1.023 0.922) 1.400 6.659 ( 13.731 8.755 24.987) 29.825 9.293 ( -15.851 -17.965 -14.221) 27.861 10.724 ( 11.179 54.989 -4.795) 56.319 14.060 ( -20.476 25.002 0.134) 32.317 14.366 ( 27.435 22.987 4.128) 36.030 15.272 ( 32.923 -5.613 -2.508) 33.492 15.747 ( 5.386 1.513 -5.213) 7.647 18.575 ( -20.069 -13.872 -7.512) 25.527 20.016 ( 11.377 -2.168 -8.765) 14.524 21.582 ( -10.309 -10.897 15.253) 21.393 ======================= Grid point 564 (203/891) ======================= q-point: ( 0.57 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( 1.690 -0.061 -1.209) 2.079 3.376 ( -0.477 0.527 0.878) 1.129 6.980 ( 9.552 3.807 13.209) 16.740 8.859 ( -11.909 -13.885 -7.476) 19.761 11.357 ( -0.283 57.407 -2.617) 57.467 13.902 ( -23.830 22.783 -3.017) 33.106 14.931 ( 18.512 9.602 6.909) 21.969 15.632 ( 11.641 -3.157 -8.100) 14.529 16.071 ( 35.618 3.173 0.657) 35.765 18.026 ( -21.795 -23.052 -5.846) 32.258 20.153 ( 8.951 0.725 -9.958) 13.410 21.354 ( -9.850 -9.614 14.311) 19.856 ======================= Grid point 565 (204/891) ======================= q-point: ( 0.62 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( 1.327 -0.143 -1.067) 1.708 3.373 ( -0.502 0.234 0.894) 1.052 7.061 ( -3.945 -3.618 0.172) 5.355 8.662 ( 2.401 -5.287 1.635) 6.033 11.773 ( -15.762 54.715 0.130) 56.940 13.723 ( -20.810 22.193 -5.999) 31.009 15.213 ( 7.467 -0.756 8.382) 11.251 15.713 ( 6.571 -2.232 -7.409) 10.152 16.800 ( 41.065 6.720 0.675) 41.617 17.379 ( -20.814 -32.330 -3.831) 38.641 20.274 ( 6.844 3.446 -11.853) 14.114 21.151 ( -8.361 -9.023 14.057) 18.680 ======================= Grid point 566 (205/891) ======================= q-point: (-0.33 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( 0.846 -0.157 -0.913) 1.255 3.370 ( -0.401 0.134 0.814) 0.917 6.792 ( -18.431 -7.911 -5.898) 20.907 8.838 ( 17.994 0.775 5.273) 18.767 11.844 ( -34.136 44.533 2.327) 56.159 13.642 ( -13.593 25.875 -8.091) 30.327 15.216 ( -4.236 -7.705 6.269) 10.799 15.788 ( 6.235 -2.165 -4.459) 7.965 16.648 ( -25.665 -29.335 -1.106) 38.993 17.577 ( 42.994 0.820 0.348) 43.003 20.383 ( 5.166 5.655 -14.569) 16.460 20.984 ( -5.685 -9.218 15.061) 18.551 ======================= Grid point 567 (206/891) ======================= q-point: (-0.29 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( 0.125 -0.197 -0.662) 0.702 3.368 ( -0.231 0.187 0.448) 0.538 6.319 ( -26.255 -7.461 -4.751) 27.705 9.247 ( 26.463 2.221 3.556) 26.793 11.521 ( -47.001 30.245 2.073) 55.930 13.704 ( -10.102 30.314 -7.648) 32.856 14.956 ( -18.105 -11.711 3.324) 21.817 15.786 ( -4.266 -13.464 -5.084) 15.011 16.008 ( -12.939 -19.856 4.679) 24.157 18.266 ( 36.062 3.798 -0.082) 36.262 20.452 ( 1.067 4.519 -16.287) 16.936 20.893 ( 0.735 -7.726 15.908) 17.700 ======================= Grid point 568 (207/891) ======================= q-point: (-0.24 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( -0.921 -0.244 -0.364) 1.020 3.368 ( -0.109 0.276 -0.279) 0.408 5.767 ( -31.080 -5.281 -0.438) 31.528 9.750 ( 28.983 2.007 0.870) 29.065 10.920 ( -50.760 17.511 0.421) 53.698 13.800 ( -12.045 29.407 -5.711) 32.287 14.383 ( -35.494 -13.565 0.753) 38.005 15.347 ( -11.479 -26.115 1.950) 28.593 15.915 ( 0.439 -2.349 0.836) 2.531 18.847 ( 27.593 5.927 -0.660) 28.230 20.386 ( -5.224 -1.963 -11.122) 12.443 20.977 ( 9.895 -2.281 10.782) 14.811 ======================= Grid point 569 (208/891) ======================= q-point: (-0.19 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.252 ( -2.267 -0.253 -0.226) 2.292 3.366 ( -0.323 0.351 -1.390) 1.470 5.186 ( -34.556 -2.427 6.281) 35.205 9.937 ( -36.030 4.681 -0.306) 36.334 10.499 ( 14.348 3.595 -3.041) 15.101 13.532 ( -48.225 -6.005 -0.518) 48.600 13.841 ( -14.463 16.868 -1.799) 22.292 14.975 ( -8.792 -17.460 2.535) 19.713 15.894 ( -0.998 -1.284 -0.705) 1.773 19.297 ( 19.298 6.433 -1.215) 20.378 20.212 ( -7.690 -4.613 -8.037) 12.042 21.204 ( 14.625 -0.201 8.319) 16.827 ======================= Grid point 570 (209/891) ======================= q-point: (-0.14 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( -3.974 -0.229 -0.234) 3.987 3.352 ( -1.310 0.609 -3.336) 3.635 4.611 ( -36.528 0.818 16.039) 39.903 9.106 ( -55.196 -0.545 -1.920) 55.233 10.987 ( 33.364 0.382 -6.682) 34.029 12.600 ( -57.675 -0.452 0.711) 57.681 13.696 ( -15.365 2.726 1.785) 15.706 14.733 ( -9.295 -2.113 0.399) 9.540 15.852 ( -2.512 -0.535 -1.829) 3.154 19.588 ( 11.589 -2.141 -3.208) 12.214 20.037 ( -6.970 2.960 -6.377) 9.900 21.488 ( 16.254 -0.261 9.075) 18.617 ======================= Grid point 571 (210/891) ======================= q-point: (-0.10 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( -6.228 0.005 -0.093) 6.228 3.304 ( -4.425 1.597 -6.735) 8.215 4.091 ( -35.227 3.902 29.691) 46.236 8.153 ( -54.215 -3.567 -3.344) 54.435 11.451 ( -1.806 7.322 -18.973) 20.417 11.676 ( -31.473 1.101 9.393) 32.863 13.409 ( -14.307 -10.581 4.643) 18.390 14.609 ( -11.358 11.032 -1.011) 15.866 15.788 ( -4.188 0.012 -2.574) 4.916 19.548 ( -0.147 -16.772 -11.405) 20.283 20.097 ( 1.764 16.337 0.716) 16.448 21.781 ( 15.714 -0.925 10.858) 19.122 ======================= Grid point 572 (211/891) ======================= q-point: (-0.05 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( -9.197 1.102 0.862) 9.303 3.171 ( -13.585 4.625 -5.847) 15.496 3.713 ( -26.014 5.118 41.244) 49.030 7.239 ( -49.867 -1.143 -4.844) 50.115 10.579 ( -71.720 21.746 -3.991) 75.050 11.997 ( 28.136 -4.182 -10.190) 30.215 13.079 ( -11.388 -14.343 5.837) 19.222 14.535 ( -13.739 16.590 -0.672) 21.551 15.695 ( -6.115 0.305 -3.133) 6.877 19.311 ( -3.196 -15.326 -17.493) 23.476 20.320 ( 5.456 13.412 5.950) 15.654 22.050 ( 13.931 -1.965 12.854) 19.057 ======================= Grid point 579 (212/891) ======================= q-point: ( 0.29 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( 0.000 5.519 3.290) 6.425 3.085 ( 0.000 8.416 7.023) 10.961 4.755 ( 0.000 16.724 60.815) 63.072 6.616 ( -0.000 43.366 -9.781) 44.455 9.968 ( -0.000 69.155 -12.800) 70.329 12.080 ( -0.000 -7.135 -23.135) 24.210 12.461 ( 0.000 -3.066 1.822) 3.567 14.883 ( -0.000 23.026 5.276) 23.622 15.784 ( -0.000 8.566 -0.055) 8.566 19.249 ( -0.000 -10.021 -15.840) 18.744 19.929 ( -0.000 -1.069 -2.053) 2.314 22.502 ( 0.000 -13.117 19.118) 23.185 ======================= Grid point 580 (213/891) ======================= q-point: ( 0.33 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( 1.118 4.236 0.874) 4.467 3.187 ( 1.442 6.146 5.583) 8.427 5.105 ( 2.750 16.437 56.809) 59.203 7.151 ( 16.367 43.671 -8.641) 47.431 10.525 ( 3.928 40.722 -20.261) 45.653 11.948 ( -7.526 13.867 -11.391) 19.460 12.611 ( 18.234 -2.591 0.407) 18.422 15.058 ( -6.193 21.779 4.468) 23.079 15.834 ( -3.387 7.203 -0.975) 8.019 19.121 ( 8.092 -19.098 -12.484) 24.209 19.926 ( -5.317 9.762 -6.956) 13.112 22.406 ( -2.405 -13.497 18.687) 23.176 ======================= Grid point 581 (214/891) ======================= q-point: ( 0.38 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 1.664 2.961 -0.601) 3.449 3.276 ( 1.444 4.243 3.866) 5.919 5.481 ( 5.543 15.501 50.798) 53.399 7.934 ( 28.362 43.897 -7.378) 52.781 10.633 ( -3.436 -3.968 -27.405) 27.904 12.190 ( 3.088 46.029 -0.197) 46.133 12.973 ( 25.251 0.091 1.145) 25.277 15.131 ( -11.394 21.822 3.078) 24.809 15.805 ( -5.357 4.017 -3.572) 7.589 19.100 ( 14.342 -17.953 -11.257) 25.588 19.874 ( -10.144 10.253 -7.921) 16.455 22.268 ( -4.641 -13.438 17.931) 22.883 ======================= Grid point 582 (215/891) ======================= q-point: ( 0.43 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( 1.867 1.859 -1.259) 2.920 3.338 ( 0.834 2.857 2.445) 3.852 5.870 ( 8.057 13.733 43.296) 46.131 8.870 ( 33.410 44.666 -6.419) 56.147 10.316 ( -9.208 -18.505 -24.645) 32.165 12.809 ( 13.830 47.361 1.471) 49.361 13.438 ( 27.339 2.610 2.799) 27.606 15.117 ( -16.153 21.743 0.720) 27.096 15.738 ( -3.650 1.963 -6.013) 7.303 19.154 ( 13.617 -16.765 -9.644) 23.654 19.752 ( -11.138 8.056 -7.885) 15.847 22.095 ( -6.601 -12.790 16.773) 22.102 ======================= Grid point 583 (216/891) ======================= q-point: ( 0.48 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( 1.896 1.012 -1.401) 2.565 3.374 ( 0.168 1.851 1.509) 2.394 6.253 ( 9.917 11.226 34.721) 37.814 9.692 ( 3.861 9.933 -12.859) 16.701 10.043 ( 16.665 16.691 -12.677) 26.777 13.526 ( 20.951 38.650 1.654) 43.994 13.930 ( 26.412 2.920 4.772) 26.998 15.022 ( -18.373 19.849 -2.739) 27.185 15.701 ( -1.066 2.196 -6.741) 7.170 19.074 ( -2.419 -18.278 -7.298) 19.829 19.693 ( 0.922 5.466 -8.152) 9.858 21.897 ( -8.220 -11.617 15.226) 20.841 ======================= Grid point 584 (217/891) ======================= q-point: ( 0.52 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( 1.841 0.434 -1.291) 2.290 3.390 ( -0.334 1.106 0.997) 1.526 6.607 ( 10.769 8.156 25.391) 28.761 9.335 ( -14.463 -17.498 -14.402) 26.885 10.905 ( 27.548 50.006 -5.151) 57.323 14.241 ( 21.344 31.671 2.787) 38.294 14.380 ( 20.774 3.342 6.190) 21.933 14.902 ( -10.661 12.437 -6.062) 17.467 15.703 ( 0.785 2.578 -6.675) 7.198 18.699 ( -15.471 -21.681 -5.453) 27.188 19.812 ( 9.177 3.219 -8.048) 12.623 21.684 ( -9.363 -10.220 13.476) 19.332 ======================= Grid point 585 (218/891) ======================= q-point: ( 0.57 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( 1.734 0.104 -1.101) 2.057 3.392 ( -0.605 0.572 0.766) 1.131 6.900 ( 9.446 4.438 15.353) 18.564 8.909 ( -12.997 -14.168 -8.793) 21.142 11.779 ( 16.421 55.409 -3.575) 57.902 14.507 ( -18.370 19.832 0.623) 27.040 14.806 ( 9.897 20.141 5.385) 23.078 15.119 ( 36.640 -8.071 -4.052) 37.736 15.753 ( 6.197 2.220 -5.733) 8.729 18.144 ( -20.876 -26.274 -3.872) 33.781 19.983 ( 9.905 3.011 -8.025) 13.099 21.466 ( -9.826 -8.983 11.861) 17.830 ======================= Grid point 586 (219/891) ======================= q-point: ( 0.62 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( 1.558 -0.022 -0.926) 1.812 3.387 ( -0.652 0.222 0.680) 0.968 7.059 ( 2.390 -0.337 4.794) 5.367 8.622 ( -5.079 -7.991 -1.802) 9.639 12.471 ( 0.116 58.212 -1.242) 58.225 14.305 ( -25.441 20.529 -4.428) 32.989 15.095 ( 9.221 2.525 9.371) 13.387 15.520 ( 14.932 -3.938 -8.861) 17.804 16.077 ( 36.150 -3.424 -0.590) 36.316 17.497 ( -23.370 -27.069 -2.097) 35.823 20.149 ( 8.705 3.843 -8.572) 12.807 21.252 ( -9.487 -8.259 10.820) 16.591 ======================= Grid point 587 (220/891) ======================= q-point: (-0.33 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.265 ( 1.259 -0.016 -0.812) 1.498 3.380 ( -0.531 0.029 0.622) 0.818 6.969 ( -10.706 -4.156 -2.160) 11.686 8.612 ( 9.260 -2.064 2.891) 9.917 12.827 ( -24.565 52.194 1.925) 57.718 14.105 ( -17.513 20.988 -7.472) 28.338 15.196 ( 1.366 -5.551 8.380) 10.144 15.636 ( 7.840 -1.746 -8.242) 11.509 16.525 ( 12.921 -37.072 0.546) 39.263 17.049 ( 9.453 2.434 -0.073) 9.762 20.300 ( 7.132 5.370 -10.076) 13.462 21.053 ( -8.281 -8.336 11.035) 16.119 ======================= Grid point 588 (221/891) ======================= q-point: (-0.29 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( 0.765 0.038 -0.762) 1.081 3.374 ( -0.330 -0.044 0.480) 0.584 6.650 ( -20.670 -4.006 -2.040) 21.153 8.870 ( 20.496 0.115 2.190) 20.613 12.618 ( -47.123 31.101 1.945) 56.494 14.127 ( -8.124 28.412 -6.911) 30.348 15.098 ( -7.970 -6.000 4.632) 10.999 15.672 ( 1.058 -11.659 -7.343) 13.819 16.023 ( -13.144 -27.708 4.788) 31.039 17.644 ( 40.161 3.743 -0.278) 40.336 20.428 ( 4.275 7.198 -13.668) 16.028 20.887 ( -4.947 -9.155 13.951) 17.404 ======================= Grid point 589 (222/891) ======================= q-point: (-0.24 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( 0.015 0.071 -0.754) 0.757 3.371 ( -0.149 -0.035 0.145) 0.211 6.221 ( -26.666 -1.685 1.893) 26.787 9.279 ( 27.228 0.079 -0.466) 27.233 11.962 ( -54.405 12.404 -0.092) 55.801 14.238 ( -9.723 24.124 -3.405) 26.232 14.823 ( -24.892 0.648 0.232) 24.901 15.265 ( -10.465 -29.433 0.664) 31.245 15.878 ( 1.597 -2.150 0.635) 2.753 18.328 ( 37.378 2.059 -0.904) 37.446 20.456 ( -4.570 5.390 -15.419) 16.961 20.842 ( 5.202 -6.639 15.816) 17.924 ======================= Grid point 590 (223/891) ======================= q-point: (-0.19 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( -1.023 0.071 -0.773) 1.284 3.369 ( -0.124 0.037 -0.470) 0.487 5.749 ( -30.778 1.315 7.887) 31.799 9.755 ( 29.459 -0.833 -3.259) 29.650 11.094 ( -53.978 -0.445 -1.805) 54.011 14.182 ( -14.314 2.886 1.217) 14.652 14.257 ( -39.576 1.114 -0.622) 39.596 14.987 ( -5.842 -2.598 0.443) 6.409 15.886 ( 0.532 -0.476 -1.432) 1.600 18.902 ( 29.791 -0.181 -1.847) 29.849 20.329 ( -9.226 3.052 -10.703) 14.456 20.995 ( 12.168 -2.552 12.046) 17.312 ======================= Grid point 591 (224/891) ======================= q-point: (-0.14 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( -2.340 0.081 -0.758) 2.461 3.363 ( -0.453 0.230 -1.478) 1.563 5.270 ( -33.527 4.530 15.768) 37.325 9.909 ( -34.747 -6.233 -3.620) 35.487 10.476 ( 13.079 -3.652 -5.709) 14.731 13.533 ( -48.715 7.175 -0.363) 49.242 13.900 ( -14.355 -14.308 4.985) 20.872 14.941 ( -8.762 15.425 -1.567) 17.809 15.875 ( -1.106 0.398 -2.834) 3.068 19.274 ( 18.457 -7.191 -4.066) 20.222 20.202 ( -7.472 8.239 -8.157) 13.793 21.242 ( 15.376 -1.813 11.942) 19.553 ======================= Grid point 592 (225/891) ======================= q-point: (-0.10 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( -3.913 0.231 -0.476) 3.949 3.346 ( -1.455 0.712 -3.060) 3.463 4.815 ( -34.558 7.663 25.651) 43.714 8.986 ( -53.008 -8.945 -4.027) 53.908 10.908 ( 33.515 -3.757 -10.073) 35.197 12.765 ( -56.353 16.182 0.093) 58.630 13.506 ( -13.715 -20.003 6.153) 25.021 14.946 ( -11.127 20.012 -1.467) 22.945 15.842 ( -2.679 1.139 -3.691) 4.701 19.332 ( 4.539 -14.953 -9.167) 18.118 20.232 ( -0.520 14.519 -4.257) 15.139 21.528 ( 16.562 -2.175 13.292) 21.348 ======================= Grid point 593 (226/891) ======================= q-point: (-0.05 0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( -5.649 0.802 0.398) 5.719 3.305 ( -3.694 1.778 -4.943) 6.422 4.420 ( -32.994 10.245 37.035) 50.647 8.039 ( -49.832 -4.213 -5.072) 50.267 11.379 ( 30.166 -4.035 -16.534) 34.636 11.966 ( -61.553 23.550 2.078) 65.937 13.122 ( -11.001 -18.900 6.734) 22.882 14.937 ( -12.964 19.888 -0.354) 23.743 15.784 ( -4.577 1.627 -3.932) 6.250 19.163 ( -1.661 -14.439 -14.180) 20.306 20.386 ( 2.749 12.558 -0.695) 12.874 21.816 ( 15.744 -3.056 14.806) 21.827 ======================= Grid point 601 (227/891) ======================= q-point: ( 0.33 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( -0.000 3.523 -0.060) 3.524 3.246 ( 0.000 5.084 5.026) 7.149 5.393 ( 0.000 15.560 53.026) 55.261 7.401 ( -0.000 42.504 -8.220) 43.292 10.685 ( -0.000 9.519 -26.893) 28.527 12.287 ( -0.000 43.673 -4.586) 43.913 12.396 ( 0.000 -4.865 2.235) 5.354 15.315 ( -0.000 18.844 3.788) 19.221 15.946 ( -0.000 8.180 -0.252) 8.184 18.816 ( -0.000 -19.853 -13.666) 24.102 20.056 ( -0.000 10.747 -7.466) 13.086 22.347 ( 0.000 -13.518 18.128) 22.613 ======================= Grid point 602 (228/891) ======================= q-point: ( 0.38 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 0.680 2.687 -0.734) 2.867 3.309 ( 0.684 3.844 3.896) 5.516 5.699 ( 2.370 14.217 47.464) 49.604 7.930 ( 17.201 41.124 -7.317) 45.173 10.554 ( -4.290 -11.091 -27.463) 29.927 12.434 ( 9.081 3.508 2.286) 9.999 12.838 ( 6.648 48.804 -0.018) 49.255 15.464 ( -4.015 17.775 2.785) 18.434 15.959 ( -6.890 6.648 -1.876) 9.757 18.684 ( 9.725 -16.385 -13.759) 23.502 20.079 ( -5.687 7.925 -6.911) 11.954 22.248 ( -2.392 -13.000 17.158) 21.659 ======================= Grid point 603 (229/891) ======================= q-point: ( 0.43 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( 1.068 1.867 -1.059) 2.398 3.361 ( 0.578 2.734 2.650) 3.852 6.010 ( 4.590 12.301 40.531) 42.604 8.709 ( 30.542 39.905 -6.297) 50.644 10.222 ( -8.581 -18.027 -23.815) 31.077 12.733 ( 23.232 -0.457 2.095) 23.331 13.427 ( 5.089 50.615 1.954) 50.908 15.547 ( -8.358 19.200 2.303) 21.066 15.853 ( -9.562 4.373 -5.813) 12.014 18.717 ( 14.763 -14.528 -11.860) 23.868 19.984 ( -10.163 4.415 -6.093) 12.645 22.115 ( -4.594 -11.875 15.654) 20.178 ======================= Grid point 604 (230/891) ======================= q-point: ( 0.48 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.136 ( 1.291 1.161 -1.098) 2.054 3.395 ( 0.107 1.841 1.638) 2.467 6.314 ( 6.476 9.823 32.640) 34.696 9.615 ( 24.661 27.258 -7.664) 37.549 9.860 ( 2.732 -6.477 -16.915) 18.318 13.187 ( 32.207 -4.005 2.020) 32.518 13.975 ( 4.014 44.598 3.625) 44.924 15.544 ( -17.154 22.098 0.091) 27.975 15.746 ( -3.865 3.312 -7.604) 9.150 18.765 ( 10.904 -18.019 -9.165) 22.969 19.825 ( -9.537 3.108 -5.422) 11.403 21.955 ( -6.547 -10.358 13.636) 18.333 ======================= Grid point 605 (231/891) ======================= q-point: ( 0.52 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 1.426 0.622 -0.964) 1.831 3.410 ( -0.377 1.141 0.964) 1.541 6.596 ( 7.770 6.964 24.156) 26.313 9.361 ( -12.903 -16.147 -13.833) 24.871 10.741 ( 41.206 40.481 -5.084) 57.987 13.724 ( 37.501 -7.696 2.143) 38.342 14.432 ( 3.578 33.653 5.094) 34.224 15.431 ( -21.115 24.570 -3.905) 32.631 15.729 ( -1.859 4.883 -6.060) 8.001 18.605 ( -3.198 -25.556 -6.099) 26.468 19.758 ( -0.065 4.426 -5.405) 6.986 21.774 ( -8.192 -8.832 11.344) 16.546 ======================= Grid point 606 (232/891) ======================= q-point: ( 0.57 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( 1.511 0.271 -0.758) 1.712 3.411 ( -0.703 0.610 0.579) 1.097 6.838 ( 7.969 3.928 15.458) 17.829 8.969 ( -12.701 -12.855 -8.934) 20.159 11.804 ( 37.211 44.657 -4.054) 58.269 14.286 ( 39.163 -11.588 2.694) 40.930 14.760 ( 3.883 17.729 4.402) 18.675 15.311 ( -23.507 30.139 -2.582) 38.310 15.732 ( -0.667 4.414 -7.044) 8.340 18.159 ( -14.444 -30.430 -3.536) 33.869 19.855 ( 7.058 4.311 -5.338) 9.843 21.576 ( -9.370 -7.566 9.113) 15.103 ======================= Grid point 607 (233/891) ======================= q-point: ( 0.62 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( 1.535 0.104 -0.555) 1.636 3.403 ( -0.817 0.239 0.379) 0.931 7.011 ( 5.447 0.890 7.094) 8.988 8.659 ( -9.270 -8.108 -3.739) 12.871 12.790 ( 25.798 50.160 -2.745) 56.472 14.751 ( 14.737 -3.900 7.099) 16.816 14.930 ( 12.082 -0.026 -7.019) 13.973 15.230 ( -12.758 18.005 4.329) 22.488 15.780 ( 4.252 5.069 -6.842) 9.518 17.572 ( -18.313 -29.652 -1.476) 34.882 20.018 ( 8.920 3.931 -5.124) 11.013 21.368 ( -9.922 -6.667 7.255) 13.983 ======================= Grid point 608 (234/891) ======================= q-point: ( 0.67 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( 1.450 0.089 -0.412) 1.510 3.392 ( -0.736 0.004 0.261) 0.781 7.051 ( -2.400 -1.358 0.902) 2.901 8.513 ( -0.155 -3.496 0.350) 3.517 13.560 ( 3.445 53.677 -0.088) 53.788 14.616 ( -25.137 12.424 -3.985) 28.321 15.120 ( 4.787 -6.346 9.249) 12.195 15.342 ( 20.929 -10.284 -7.926) 24.629 15.928 ( 14.299 -9.395 -1.228) 17.153 17.062 ( -11.319 -15.193 0.118) 18.946 20.191 ( 8.726 4.204 -5.142) 10.966 21.159 ( -9.802 -6.193 6.105) 13.104 ======================= Grid point 609 (235/891) ======================= q-point: (-0.29 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.263 ( 1.176 0.167 -0.380) 1.247 3.381 ( -0.525 -0.133 0.157) 0.564 6.908 ( -12.864 -1.074 -0.108) 12.909 8.593 ( 11.797 -1.221 0.693) 11.880 13.672 ( -43.037 26.839 1.965) 50.758 14.457 ( -4.571 19.810 -6.131) 21.235 15.117 ( 1.703 -7.369 7.892) 10.931 15.483 ( 7.093 -9.677 -9.891) 15.549 15.900 ( 0.610 -19.763 4.076) 20.188 17.106 ( 23.677 1.811 -0.123) 23.747 20.360 ( 7.729 5.267 -6.093) 11.162 20.959 ( -8.878 -6.332 6.475) 12.683 ======================= Grid point 610 (236/891) ======================= q-point: (-0.24 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.280 ( 0.647 0.274 -0.495) 0.859 3.373 ( -0.271 -0.211 0.033) 0.345 6.626 ( -20.676 1.338 3.119) 20.953 8.861 ( 21.046 -1.187 -1.603) 21.141 12.932 ( -53.691 -1.195 -1.121) 53.716 14.526 ( -6.773 5.449 0.670) 8.719 15.095 ( 0.266 -9.245 1.137) 9.319 15.295 ( -18.959 8.554 -2.742) 20.980 15.825 ( 2.279 -2.413 0.963) 3.456 17.680 ( 39.204 -0.089 -0.936) 39.216 20.504 ( 3.635 7.911 -11.509) 14.431 20.793 ( -4.305 -7.927 12.041) 15.046 ======================= Grid point 611 (237/891) ======================= q-point: (-0.19 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( -0.157 0.350 -0.732) 0.826 3.368 ( -0.077 -0.230 -0.151) 0.286 6.277 ( -25.914 4.388 8.352) 27.578 9.245 ( 27.190 -2.103 -4.361) 27.618 11.940 ( -54.178 -13.701 -2.549) 55.941 14.317 ( -10.135 -18.818 5.534) 22.078 14.789 ( -22.243 -3.161 -2.853) 22.647 15.267 ( -14.069 31.567 -0.047) 34.561 15.858 ( 2.139 0.149 -1.371) 2.545 18.318 ( 37.183 -2.264 -2.118) 37.312 20.493 ( -8.202 6.828 -13.608) 17.294 20.815 ( 9.269 -5.195 15.147) 18.503 ======================= Grid point 612 (238/891) ======================= q-point: (-0.14 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( -1.187 0.377 -0.892) 1.532 3.365 ( -0.073 -0.132 -0.551) 0.571 5.901 ( -29.504 7.432 14.874) 33.866 9.683 ( 28.832 -3.579 -7.032) 29.893 10.885 ( -50.514 -18.162 -3.523) 53.795 13.910 ( -12.260 -27.489 6.902) 30.880 14.355 ( -34.489 12.482 -2.111) 36.738 15.329 ( -13.379 28.244 -0.586) 31.258 15.881 ( 0.415 1.220 -2.904) 3.177 18.817 ( 26.983 -6.211 -4.217) 28.008 20.384 ( -7.711 8.090 -9.969) 14.976 21.012 ( 13.360 -3.199 13.648) 19.365 ======================= Grid point 613 (239/891) ======================= q-point: (-0.10 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( -2.361 0.454 -0.676) 2.497 3.358 ( -0.403 0.138 -1.369) 1.434 5.525 ( -31.627 10.224 22.546) 40.163 9.682 ( -39.638 -13.374 -5.226) 42.159 10.312 ( 22.454 -8.365 -9.103) 25.632 13.455 ( -13.804 -24.097 6.954) 28.628 13.852 ( -42.777 17.942 -1.346) 46.407 15.358 ( -13.261 24.000 -0.214) 27.421 15.880 ( -1.276 2.235 -4.049) 4.798 19.044 ( 12.191 -11.167 -8.079) 18.401 20.368 ( -2.474 11.714 -7.519) 14.137 21.267 ( 15.910 -3.457 14.925) 22.087 ======================= Grid point 614 (240/891) ======================= q-point: (-0.05 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( -3.565 0.784 0.090) 3.652 3.344 ( -1.222 0.633 -2.595) 2.938 5.176 ( -32.052 12.575 31.178) 46.449 8.778 ( -46.838 -8.227 -5.171) 47.835 10.727 ( 33.403 -8.183 -13.633) 36.994 13.037 ( -19.920 -8.604 5.865) 22.478 13.272 ( -43.058 13.455 0.165) 45.112 15.348 ( -13.353 19.950 0.618) 24.014 15.859 ( -3.002 3.048 -4.346) 6.098 19.003 ( 1.504 -11.782 -12.803) 17.464 20.460 ( 1.212 10.939 -4.645) 11.946 21.550 ( 16.778 -4.294 16.231) 23.736 ======================= Grid point 623 (241/891) ======================= q-point: ( 0.38 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( -0.000 2.216 -0.822) 2.363 3.348 ( 0.000 3.191 3.370) 4.642 5.936 ( 0.000 12.471 42.575) 44.364 8.147 ( -0.000 38.659 -6.934) 39.276 10.388 ( -0.000 -15.829 -25.798) 30.267 12.296 ( 0.000 -6.974 2.843) 7.531 13.363 ( -0.000 59.618 1.174) 59.630 15.648 ( -0.000 14.230 0.955) 14.262 16.094 ( -0.000 7.276 -0.461) 7.290 18.419 ( -0.000 -12.063 -15.116) 19.339 20.167 ( -0.000 3.767 -5.713) 6.844 22.194 ( 0.000 -11.987 15.889) 19.904 ======================= Grid point 624 (242/891) ======================= q-point: ( 0.43 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( 0.429 1.668 -0.811) 1.904 3.386 ( 0.263 2.426 2.492) 3.487 6.175 ( 1.951 10.342 36.326) 37.820 8.642 ( 17.931 36.070 -6.164) 40.750 10.107 ( -5.571 -17.677 -22.179) 28.904 12.357 ( 14.551 -7.615 2.885) 16.675 13.930 ( 0.027 55.273 2.429) 55.327 15.764 ( -1.486 12.269 -0.713) 12.379 16.084 ( -8.703 7.881 -1.784) 11.876 18.359 ( 8.798 -9.142 -13.679) 18.657 20.121 ( -5.411 -0.602 -4.399) 7.000 22.107 ( -2.370 -10.424 13.997) 17.612 ======================= Grid point 625 (243/891) ======================= q-point: ( 0.48 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( 0.713 1.139 -0.694) 1.513 3.415 ( 0.071 1.699 1.572) 2.316 6.403 ( 3.694 7.865 29.136) 30.404 9.389 ( 31.772 33.091 -5.201) 46.168 9.759 ( -8.118 -16.330 -17.675) 25.396 12.631 ( 25.836 -8.539 2.707) 27.345 14.423 ( -1.507 46.412 3.884) 46.599 15.819 ( -2.995 7.298 -4.536) 9.100 16.001 ( -12.314 16.009 -1.595) 20.260 18.401 ( 10.298 -11.775 -10.814) 19.017 19.970 ( -8.273 -3.008 -3.070) 9.323 21.993 ( -4.624 -8.641 11.548) 15.146 ======================= Grid point 626 (244/891) ======================= q-point: ( 0.52 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 0.933 0.692 -0.499) 1.264 3.429 ( -0.331 1.080 0.836) 1.406 6.612 ( 5.145 5.165 21.469) 22.673 9.379 ( -11.211 -13.915 -12.596) 21.863 10.350 ( 43.396 31.774 -4.722) 53.992 13.048 ( 32.949 -9.938 2.604) 34.513 14.779 ( -3.542 32.508 5.158) 33.104 15.795 ( -4.176 7.342 -9.172) 12.468 15.990 ( -13.606 24.333 0.869) 27.892 18.344 ( 2.964 -20.875 -7.700) 22.446 19.818 ( -4.940 -1.126 -2.263) 5.549 21.851 ( -6.698 -7.042 8.826) 13.128 ======================= Grid point 627 (245/891) ======================= q-point: ( 0.57 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( 1.130 0.369 -0.266) 1.218 3.430 ( -0.700 0.587 0.348) 0.978 6.794 ( 6.111 2.499 13.835) 15.330 9.038 ( -11.810 -10.274 -8.172) 17.658 11.423 ( 48.781 31.737 -3.813) 58.321 13.534 ( 36.380 -12.039 2.498) 38.401 14.958 ( -4.458 16.425 4.994) 17.737 15.797 ( -2.696 8.771 -8.422) 12.455 15.990 ( -19.340 31.985 0.599) 37.382 18.030 ( -7.903 -30.759 -4.522) 32.079 19.798 ( 2.545 2.011 -2.102) 3.865 21.683 ( -8.445 -5.784 6.152) 11.942 ======================= Grid point 628 (246/891) ======================= q-point: ( 0.62 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( 1.304 0.191 -0.037) 1.318 3.421 ( -0.904 0.226 0.059) 0.934 6.939 ( 6.055 0.234 6.908) 9.189 8.749 ( -10.882 -5.958 -4.047) 13.049 12.549 ( 48.660 33.160 -3.069) 58.965 14.024 ( 36.623 -15.688 2.362) 39.911 15.007 ( -3.502 6.438 3.737) 8.227 15.757 ( -10.198 4.644 -2.833) 11.558 15.971 ( -20.486 33.741 -3.050) 39.591 17.522 ( -12.415 -32.773 -1.854) 35.095 19.905 ( 7.233 2.823 -1.742) 7.958 21.493 ( -9.679 -4.788 3.732) 11.425 ======================= Grid point 629 (247/891) ======================= q-point: ( 0.67 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( 1.412 0.154 0.141) 1.428 3.406 ( -0.914 -0.009 -0.114) 0.921 7.031 ( 3.587 -1.026 1.771) 4.130 8.548 ( -7.189 -2.159 -0.911) 7.561 13.638 ( 40.429 36.620 -2.501) 54.606 14.434 ( 32.084 -23.657 2.840) 39.964 15.014 ( -1.046 3.637 1.406) 4.037 15.482 ( -28.291 5.181 0.124) 28.762 15.914 ( -10.945 10.521 -3.601) 15.603 17.074 ( -8.831 -17.525 0.008) 19.624 20.066 ( 8.984 2.692 -0.994) 9.431 21.291 ( -10.300 -3.908 1.656) 11.140 ======================= Grid point 630 (248/891) ======================= q-point: (-0.29 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( 1.372 0.221 0.212) 1.406 3.391 ( -0.765 -0.150 -0.232) 0.813 7.036 ( -2.794 -0.336 0.068) 2.815 8.478 ( 0.708 -0.216 -0.044) 0.742 14.418 ( -13.375 3.485 0.634) 13.836 14.496 ( 17.414 -3.971 -1.459) 17.921 15.019 ( -12.255 -0.843 -0.304) 12.287 15.201 ( 17.115 3.176 2.468) 17.581 15.819 ( -4.250 -0.032 -1.597) 4.540 16.922 ( 0.472 -0.114 0.257) 0.549 20.244 ( 9.304 2.605 -0.001) 9.662 21.086 ( -10.347 -3.029 -0.001) 10.781 ======================= Grid point 631 (249/891) ======================= q-point: (-0.24 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( 1.092 0.339 0.114) 1.149 3.377 ( -0.520 -0.239 -0.304) 0.648 6.930 ( -11.339 2.446 2.392) 11.844 8.571 ( 10.929 -0.575 -1.856) 11.100 13.635 ( -42.470 -28.667 -2.309) 51.291 14.561 ( -5.246 -14.884 5.589) 16.742 15.004 ( 3.146 2.608 -4.634) 6.178 15.646 ( 7.731 20.515 8.344) 23.457 15.807 ( -1.767 13.499 -6.231) 14.972 17.103 ( 23.372 -1.891 -0.501) 23.454 20.425 ( 8.985 2.786 0.808) 9.442 20.890 ( -9.813 -2.226 -0.798) 10.093 ======================= Grid point 632 (250/891) ======================= q-point: (-0.19 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.285 ( 0.512 0.458 -0.198) 0.715 3.367 ( -0.241 -0.306 -0.289) 0.485 6.730 ( -18.655 5.962 7.094) 20.830 8.810 ( 19.837 -2.104 -4.735) 20.502 12.575 ( -46.908 -31.669 -2.914) 56.672 14.246 ( -8.453 -26.994 6.593) 29.045 15.010 ( -5.982 5.720 -4.574) 9.457 15.803 ( 3.058 1.523 4.495) 5.646 15.938 ( -18.196 39.792 -2.588) 43.832 17.629 ( 39.780 -3.968 -2.073) 40.031 20.596 ( 5.773 5.967 -4.771) 9.575 20.722 ( -5.661 -4.257 5.579) 9.017 ======================= Grid point 633 (251/891) ======================= q-point: (-0.14 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( -0.330 0.538 -0.603) 0.873 3.362 ( -0.015 -0.312 -0.244) 0.396 6.472 ( -23.902 9.168 12.788) 28.616 9.152 ( 26.131 -3.941 -7.517) 27.475 11.472 ( -47.063 -30.477 -3.451) 56.175 13.830 ( -10.052 -29.547 6.595) 31.899 14.890 ( -16.630 10.791 -3.490) 20.129 15.867 ( 2.163 1.728 -1.238) 3.032 15.941 ( -22.579 34.029 1.689) 40.873 18.232 ( 35.413 -4.043 -4.116) 35.880 20.558 ( -8.074 6.693 -11.023) 15.215 20.812 ( 11.223 -3.527 13.638) 18.011 ======================= Grid point 634 (252/891) ======================= q-point: (-0.10 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( -1.256 0.588 -0.658) 1.535 3.358 ( -0.008 -0.185 -0.515) 0.548 6.187 ( -27.367 11.766 19.085) 35.378 9.541 ( 27.284 -5.979 -9.963) 29.655 10.428 ( -42.330 -24.914 -4.320) 49.307 13.401 ( -9.786 -27.501 6.559) 29.918 14.638 ( -28.315 16.696 -2.653) 32.978 15.875 ( -19.616 25.719 1.023) 32.362 15.904 ( -0.180 3.198 -1.949) 3.749 18.654 ( 21.869 -6.175 -7.358) 23.886 20.497 ( -4.054 8.464 -9.363) 13.257 21.024 ( 13.569 -3.925 15.010) 20.611 ======================= Grid point 635 (253/891) ======================= q-point: (-0.05 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( -2.140 0.760 -0.098) 2.272 3.353 ( -0.310 0.073 -1.278) 1.317 5.899 ( -29.187 13.717 25.878) 41.348 9.391 ( -38.043 -12.157 -5.209) 40.276 10.062 ( 28.390 -11.070 -12.710) 33.016 13.031 ( -7.503 -21.791 6.536) 23.956 14.251 ( -39.544 22.193 -1.949) 45.388 15.788 ( -17.004 18.926 2.599) 25.575 15.919 ( -1.426 4.276 -4.149) 6.126 18.801 ( 7.686 -7.492 -11.739) 15.906 20.528 ( 0.001 8.675 -7.498) 11.466 21.273 ( 15.956 -5.208 16.908) 23.824 ======================= Grid point 645 (254/891) ======================= q-point: ( 0.43 0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( -0.000 1.339 -0.545) 1.446 3.412 ( 0.000 1.955 1.989) 2.789 6.343 ( 0.000 8.003 30.877) 31.897 8.802 ( -0.000 32.379 -5.735) 32.883 9.931 ( -0.000 -16.660 -19.373) 25.551 12.161 ( 0.000 -8.655 3.529) 9.347 14.458 ( -0.000 50.728 3.392) 50.841 15.879 ( -0.000 10.257 -2.664) 10.598 16.218 ( -0.000 5.833 -0.667) 5.871 18.189 ( -0.000 -3.384 -13.412) 13.832 20.126 ( -0.000 -5.451 -2.688) 6.078 22.072 ( 0.000 -8.592 11.721) 14.533 ======================= Grid point 646 (255/891) ======================= q-point: ( 0.48 0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( 0.284 0.969 -0.270) 1.045 3.433 ( 0.027 1.411 1.284) 1.908 6.500 ( 1.598 5.455 24.477) 25.129 9.239 ( 18.660 28.466 -4.913) 34.390 9.682 ( -5.446 -14.377 -15.407) 21.765 12.211 ( 14.500 -9.042 3.554) 17.453 14.902 ( -2.555 41.674 4.689) 42.015 15.930 ( -3.219 7.418 -5.285) 9.660 16.250 ( -2.552 9.463 -0.399) 9.809 18.175 ( 3.967 -2.811 -11.058) 12.080 20.014 ( -4.135 -8.308 -1.010) 9.335 22.007 ( -2.425 -6.756 8.948) 11.471 ======================= Grid point 647 (256/891) ======================= q-point: ( 0.52 0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( 0.509 0.623 0.010) 0.804 3.446 ( -0.208 0.891 0.591) 1.089 6.638 ( 3.042 2.827 17.601) 18.084 9.396 ( -8.958 -10.771 -10.787) 17.681 9.939 ( 35.079 24.366 -4.149) 42.912 12.471 ( 25.215 -9.219 3.294) 27.049 15.171 ( -6.946 26.206 5.553) 27.674 15.912 ( -4.011 7.853 -7.715) 11.716 16.348 ( -2.241 18.653 0.743) 18.802 18.133 ( -0.247 -10.375 -8.174) 13.210 19.858 ( -4.281 -6.805 0.216) 8.042 21.909 ( -4.805 -5.244 5.969) 9.285 ======================= Grid point 648 (257/891) ======================= q-point: ( 0.57 0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( 0.734 0.349 0.289) 0.863 3.447 ( -0.553 0.452 0.061) 0.717 6.755 ( 4.353 0.315 10.795) 11.644 9.122 ( -10.571 -6.577 -6.669) 14.124 10.842 ( 47.462 20.303 -3.080) 51.714 12.870 ( 31.311 -9.056 2.984) 32.730 15.219 ( -8.869 10.788 4.534) 14.683 15.915 ( -3.612 8.567 -6.809) 11.523 16.523 ( -5.553 29.205 1.461) 29.764 17.874 ( -9.360 -23.325 -5.178) 25.661 19.778 ( 0.142 -2.021 0.684) 2.138 21.778 ( -6.972 -4.086 3.056) 8.640 ======================= Grid point 649 (258/891) ======================= q-point: ( 0.62 0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( 0.979 0.184 0.551) 1.138 3.437 ( -0.834 0.123 -0.277) 0.887 6.852 ( 5.459 -1.771 4.662) 7.394 8.884 ( -11.082 -2.149 -3.053) 11.694 11.875 ( 55.621 14.849 -2.070) 57.607 13.338 ( 32.788 -7.924 2.549) 33.828 15.156 ( -7.190 3.053 3.587) 8.595 15.891 ( -5.294 4.615 -4.944) 8.589 16.691 ( -16.346 37.847 1.632) 41.258 17.374 ( -12.491 -34.732 -2.605) 37.002 19.821 ( 4.832 0.814 1.133) 5.029 21.616 ( -8.724 -3.091 0.344) 9.262 ======================= Grid point 650 (259/891) ======================= q-point: (-0.33 -0.57 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( 1.216 0.138 0.764) 1.442 3.421 ( -0.955 -0.091 -0.470) 1.068 6.931 ( 6.026 -3.030 -0.102) 6.745 8.695 ( -10.561 1.704 -0.277) 10.701 12.931 ( 58.855 2.076 -0.831) 58.897 13.816 ( 29.573 -1.652 1.557) 29.660 15.075 ( -4.278 -1.152 3.386) 5.576 15.789 ( -9.494 1.210 -3.812) 10.302 16.464 ( -35.513 0.622 0.938) 35.530 17.052 ( -1.996 1.190 0.064) 2.324 19.944 ( 7.813 1.123 2.170) 8.186 21.432 ( -9.908 -2.020 -2.166) 10.342 ======================= Grid point 651 (260/891) ======================= q-point: (-0.29 -0.57 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( 1.367 0.193 0.872) 1.633 3.402 ( -0.909 -0.205 -0.578) 1.096 6.993 ( 5.159 -2.934 -2.672) 6.508 8.566 ( -8.244 4.158 1.195) 9.310 13.676 ( 40.605 -35.226 1.911) 53.789 14.384 ( 28.752 20.809 -2.683) 35.594 15.046 ( 4.166 -1.697 4.977) 6.709 15.458 ( -28.945 -6.843 -2.721) 29.867 15.955 ( -12.363 -6.147 1.000) 13.843 17.080 ( -9.357 18.257 0.651) 20.525 20.107 ( 9.423 0.630 3.794) 10.178 21.238 ( -10.487 -0.682 -4.565) 11.458 ======================= Grid point 652 (261/891) ======================= q-point: (-0.24 -0.57 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.252 ( 1.329 0.299 0.814) 1.587 3.384 ( -0.741 -0.253 -0.623) 1.000 7.025 ( 1.478 -0.906 -2.172) 2.779 8.515 ( -2.849 4.392 0.720) 5.285 13.571 ( -0.106 -53.098 1.183) 53.111 14.656 ( -15.448 -9.322 0.371) 18.046 15.003 ( -2.227 2.061 -4.288) 5.253 15.484 ( 27.690 12.531 8.863) 31.660 15.910 ( 7.715 10.217 -3.476) 13.266 17.070 ( -11.798 16.140 0.948) 20.014 20.287 ( 9.955 -0.025 6.007) 11.626 21.046 ( -10.532 1.033 -6.999) 12.687 ======================= Grid point 653 (262/891) ======================= q-point: (-0.19 0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( 1.015 0.406 0.536) 1.218 3.370 ( -0.501 -0.280 -0.567) 0.807 7.004 ( -5.396 3.012 1.601) 6.384 8.569 ( 5.835 2.236 -1.874) 6.524 12.803 ( -26.677 -50.775 -0.888) 57.364 14.208 ( -15.389 -21.879 4.140) 27.068 15.079 ( 2.830 5.147 -4.642) 7.487 15.753 ( 4.418 0.831 4.669) 6.482 16.511 ( 16.115 39.193 -0.763) 42.384 17.051 ( 6.180 -0.707 0.099) 6.221 20.469 ( 9.863 -1.193 9.173) 13.522 20.870 ( -10.081 3.270 -9.781) 14.422 ======================= Grid point 654 (263/891) ======================= q-point: (-0.14 0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.294 ( 0.394 0.495 0.033) 0.634 3.359 ( -0.212 -0.305 -0.346) 0.508 6.910 ( -13.308 7.481 7.375) 16.955 8.743 ( 15.386 -1.191 -5.484) 16.378 11.807 ( -35.375 -43.593 -1.955) 56.175 13.754 ( -12.436 -26.357 4.604) 29.505 15.126 ( -3.152 7.047 -3.447) 8.454 15.837 ( 3.341 2.192 0.681) 4.053 16.694 ( -26.256 32.215 3.977) 41.749 17.541 ( 42.428 -0.773 -3.815) 42.607 20.638 ( 8.519 -5.267 15.446) 18.409 20.729 ( -7.429 7.995 -14.812) 18.398 ======================= Grid point 655 (264/891) ======================= q-point: (-0.10 0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.299 ( -0.404 0.556 -0.387) 0.789 3.355 ( 0.024 -0.278 -0.171) 0.327 6.750 ( -19.783 11.073 13.610) 26.443 9.018 ( 22.920 -4.658 -8.865) 25.013 10.812 ( -36.747 -34.145 -2.855) 50.243 13.320 ( -10.254 -25.920 4.717) 28.271 15.083 ( -11.035 10.105 -2.702) 15.205 15.909 ( 2.019 3.680 -1.894) 4.605 16.520 ( -25.635 21.995 4.714) 34.105 18.161 ( 30.908 1.125 -6.154) 31.534 20.610 ( -4.685 3.746 -7.463) 9.575 20.835 ( 9.644 -1.107 10.503) 14.302 ======================= Grid point 656 (265/891) ======================= q-point: (-0.05 0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( -1.100 0.645 -0.169) 1.286 3.352 ( -0.007 -0.156 -0.518) 0.541 6.547 ( -24.044 13.383 19.749) 33.871 9.347 ( 25.373 -7.594 -11.464) 28.859 9.939 ( -32.294 -21.833 -4.133) 39.201 12.956 ( -7.002 -21.270 4.764) 22.894 14.929 ( -20.781 14.182 -2.153) 25.251 15.963 ( 0.287 4.863 -2.853) 5.645 16.310 ( -22.813 16.373 4.347) 28.415 18.530 ( 15.771 -1.053 -9.915) 18.658 20.583 ( -1.125 5.472 -9.179) 10.746 21.030 ( 12.465 -4.325 15.683) 20.495 ======================= Grid point 667 (266/891) ======================= q-point: ( 0.48 0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -0.000 0.716 0.134) 0.728 3.448 ( 0.000 1.011 0.791) 1.283 6.589 ( 0.000 2.806 18.922) 19.129 9.315 ( -0.000 23.139 -4.294) 23.534 9.567 ( -0.000 -10.967 -12.253) 16.444 12.013 ( 0.000 -8.511 4.019) 9.412 15.312 ( -0.000 33.790 5.756) 34.276 16.019 ( -0.000 6.830 -5.923) 9.040 16.308 ( -0.000 3.867 -0.872) 3.964 18.133 ( -0.000 3.874 -9.105) 9.895 19.949 ( 0.000 -11.196 0.789) 11.223 21.992 ( 0.000 -5.062 5.986) 7.839 ======================= Grid point 668 (267/891) ======================= q-point: ( 0.52 0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( 0.208 0.447 0.505) 0.706 3.456 ( -0.082 0.576 0.206) 0.617 6.659 ( 1.402 0.127 12.814) 12.892 9.406 ( -5.286 -6.656 -8.391) 11.943 9.665 ( 19.500 17.224 -3.299) 26.226 12.067 ( 13.983 -7.304 3.844) 16.237 15.533 ( -7.646 19.082 6.036) 21.425 16.025 ( -3.056 6.705 -7.050) 10.197 16.416 ( 7.422 7.140 -0.163) 10.300 18.124 ( -4.394 2.311 -6.075) 7.846 19.830 ( -1.723 -9.546 2.031) 9.910 21.941 ( -2.529 -3.751 2.906) 5.376 ======================= Grid point 669 (268/891) ======================= q-point: ( 0.57 0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( 0.414 0.215 0.847) 0.967 3.457 ( -0.307 0.183 -0.310) 0.473 6.711 ( 2.825 -2.418 6.626) 7.598 9.227 ( -8.661 -1.909 -4.518) 9.954 10.267 ( 36.704 10.386 -2.031) 38.199 12.342 ( 24.187 -5.111 3.303) 24.941 15.480 ( -11.646 4.769 3.802) 13.146 16.029 ( -3.002 6.459 -5.407) 8.942 16.667 ( 10.838 10.554 0.674) 15.143 17.944 ( -15.259 -3.950 -2.540) 15.966 19.752 ( -0.036 -3.902 2.536) 4.654 21.850 ( -4.967 -2.741 -0.095) 5.674 ======================= Grid point 670 (269/891) ======================= q-point: (-0.38 -0.52 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( 0.665 0.059 1.156) 1.335 3.448 ( -0.582 -0.119 -0.661) 0.889 6.747 ( 4.399 -4.628 0.861) 6.443 9.062 ( -10.478 2.757 -1.087) 10.889 11.052 ( 49.609 1.497 -0.636) 49.635 12.777 ( 29.914 -1.168 2.539) 30.044 15.317 ( -9.922 -1.488 2.684) 10.386 15.997 ( -4.475 2.304 -3.756) 6.280 16.916 ( 9.889 -2.435 -0.518) 10.198 17.559 ( -26.743 4.357 1.759) 27.152 19.766 ( 2.677 0.089 3.082) 4.084 21.723 ( -7.093 -1.779 -2.926) 7.877 ======================= Grid point 671 (270/891) ======================= q-point: (-0.33 -0.52 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( 0.958 0.006 1.408) 1.703 3.432 ( -0.784 -0.309 -0.842) 1.192 6.777 ( 6.186 -6.255 -3.991) 9.660 8.925 ( -11.522 6.838 1.696) 13.505 11.901 ( 55.793 -12.027 0.939) 57.083 13.327 ( 32.502 5.898 1.340) 33.060 15.146 ( -6.934 -5.904 2.419) 9.423 15.908 ( -5.869 -0.517 -2.764) 6.507 16.674 ( -14.457 -36.143 -0.527) 38.930 17.428 ( -14.518 36.174 3.701) 39.154 19.848 ( 5.265 0.426 4.366) 6.853 21.566 ( -8.727 -0.596 -5.593) 10.382 ======================= Grid point 672 (271/891) ======================= q-point: (-0.29 -0.52 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 1.235 0.051 1.550) 1.983 3.412 ( -0.848 -0.389 -0.900) 1.296 6.815 ( 8.037 -7.047 -7.456) 13.033 8.817 ( -12.055 9.909 3.719) 16.042 12.599 ( 48.774 -31.534 2.639) 58.140 13.996 ( 35.440 14.554 -0.849) 38.322 14.999 ( -1.930 -8.852 2.718) 9.459 15.738 ( -15.179 -7.171 -4.014) 17.261 16.039 ( -15.436 -26.468 3.756) 30.869 17.559 ( -13.984 34.195 2.547) 37.031 19.972 ( 7.920 -0.693 6.271) 10.126 21.392 ( -9.779 0.977 -8.155) 12.771 ======================= Grid point 673 (272/891) ======================= q-point: (-0.24 -0.52 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.234 ( 1.386 0.154 1.514) 2.058 3.392 ( -0.782 -0.385 -0.871) 1.233 6.871 ( 9.383 -6.753 -9.067) 14.692 8.733 ( -11.711 11.581 4.813) 17.159 12.843 ( 24.708 -49.622 3.370) 55.535 14.633 ( 15.308 3.509 -6.138) 16.862 15.062 ( 16.424 1.222 7.868) 18.252 15.180 ( -13.832 -18.702 -1.884) 23.338 15.850 ( 0.887 -3.654 1.622) 4.095 17.607 ( -19.066 31.257 2.528) 36.700 20.132 ( 9.857 -1.524 8.443) 13.068 21.216 ( -10.270 2.911 -10.665) 15.089 ======================= Grid point 674 (273/891) ======================= q-point: (-0.19 -0.52 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.263 ( 1.307 0.251 1.246) 1.823 3.375 ( -0.631 -0.336 -0.757) 1.041 6.945 ( 9.046 -5.060 -8.344) 13.306 8.679 ( -9.498 11.388 4.626) 15.534 12.503 ( -2.081 -57.419 2.465) 57.510 14.343 ( -22.091 -20.412 -0.246) 30.079 14.986 ( 8.148 -2.408 -3.398) 9.150 15.666 ( 15.353 3.475 8.492) 17.886 16.048 ( 33.764 3.965 -4.060) 34.238 17.548 ( -23.513 29.485 3.605) 37.884 20.313 ( 10.273 -2.012 10.797) 15.039 21.048 ( -10.229 4.981 -13.128) 17.372 ======================= Grid point 675 (274/891) ======================= q-point: (-0.14 -0.52 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( 0.949 0.304 0.736) 1.239 3.361 ( -0.421 -0.280 -0.509) 0.717 7.018 ( 5.407 -1.642 -4.819) 7.427 8.670 ( -4.059 8.781 2.613) 10.020 11.781 ( -17.949 -53.503 1.064) 56.444 13.785 ( -18.654 -22.993 1.028) 29.626 15.117 ( 7.692 0.700 -2.596) 8.149 15.809 ( 3.435 2.502 3.785) 5.691 16.763 ( 41.590 -6.213 -3.565) 42.203 17.460 ( -21.499 34.720 5.299) 41.179 20.489 ( 9.257 -3.049 13.497) 16.648 20.900 ( -9.277 6.972 -15.374) 19.262 ======================= Grid point 676 (275/891) ======================= q-point: (-0.10 0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.303 ( 0.344 0.330 0.112) 0.489 3.353 ( -0.161 -0.229 -0.151) 0.318 7.052 ( -2.101 3.245 1.406) 4.114 8.737 ( 4.881 3.726 -1.378) 6.293 10.948 ( -24.206 -43.179 -0.236) 49.502 13.292 ( -13.918 -22.961 1.525) 26.893 15.214 ( 1.960 3.253 -1.615) 4.127 15.900 ( 3.058 3.869 0.704) 4.982 16.986 ( -4.750 -3.820 1.135) 6.200 17.762 ( 17.565 24.567 0.047) 30.200 20.618 ( 4.618 -4.118 11.450) 13.015 20.810 ( -3.623 7.569 -11.842) 14.514 ======================= Grid point 677 (276/891) ======================= q-point: (-0.05 0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( -0.273 0.381 -0.091) 0.478 3.349 ( -0.009 -0.168 -0.116) 0.204 7.011 ( -11.023 8.039 8.895) 16.286 8.898 ( 14.600 -2.503 -6.219) 16.065 10.180 ( -24.655 -28.723 -1.458) 37.881 12.898 ( -8.834 -19.304 1.795) 21.305 15.230 ( -5.102 5.935 -0.914) 7.880 15.986 ( 2.006 4.953 -1.054) 5.447 16.791 ( -16.662 3.780 3.060) 17.358 18.246 ( 17.825 10.671 -4.926) 21.351 20.617 ( -1.523 0.987 -5.629) 5.914 20.882 ( 6.338 0.350 8.007) 10.218 ======================= Grid point 689 (277/891) ======================= q-point: ( 0.52 0.52 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 0.000 0.223 0.964) 0.989 3.461 ( -0.000 0.185 -0.287) 0.341 6.664 ( 0.000 -2.692 7.368) 7.845 9.391 ( -0.000 -1.716 -5.235) 5.509 9.621 ( -0.000 9.676 -2.223) 9.928 11.901 ( 0.000 -4.697 3.888) 6.098 15.779 ( 0.000 9.514 5.746) 11.114 16.087 ( -0.000 4.661 -6.248) 7.795 16.355 ( -0.000 1.507 -1.079) 1.854 18.209 ( -0.000 5.986 -2.321) 6.421 19.763 ( 0.000 -7.217 3.048) 7.834 21.935 ( 0.000 -2.639 -0.203) 2.647 ======================= Grid point 690 (278/891) ======================= q-point: (-0.43 -0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( 0.183 0.004 1.382) 1.394 3.458 ( -0.087 -0.200 -0.776) 0.806 6.649 ( 1.441 -5.419 1.611) 5.835 9.344 ( -5.286 3.428 -1.738) 6.535 9.840 ( 19.879 1.493 -0.819) 19.951 11.999 ( 13.689 -1.362 3.366) 14.162 15.701 ( -11.143 -2.780 2.105) 11.676 16.101 ( -1.724 3.028 -3.324) 4.816 16.489 ( 12.591 -0.174 -0.673) 12.611 18.176 ( -9.517 3.475 2.020) 10.331 19.732 ( 0.096 -0.736 3.360) 3.441 21.888 ( -2.567 -1.739 -3.232) 4.479 ======================= Grid point 691 (279/891) ======================= q-point: (-0.38 -0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 0.408 -0.166 1.756) 1.810 3.450 ( -0.236 -0.507 -1.132) 1.263 6.619 ( 3.149 -7.881 -4.016) 9.389 9.279 ( -8.933 8.186 1.565) 12.217 10.291 ( 36.717 -7.604 0.718) 37.503 12.336 ( 24.175 2.807 2.557) 24.471 15.456 ( -10.936 -8.610 0.925) 13.949 16.058 ( -3.344 -1.316 -1.851) 4.042 16.648 ( 10.099 -11.574 -1.516) 15.435 18.019 ( -15.334 9.733 6.060) 19.146 19.763 ( 0.380 3.387 3.988) 5.246 21.799 ( -4.935 -0.760 -6.114) 7.894 ======================= Grid point 692 (280/891) ======================= q-point: (-0.33 -0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( 0.707 -0.252 2.063) 2.195 3.435 ( -0.412 -0.698 -1.291) 1.525 6.584 ( 5.313 -9.887 -9.061) 14.424 9.217 ( -11.194 12.219 4.372) 17.138 10.888 ( 47.501 -18.050 2.159) 50.861 12.858 ( 31.151 7.438 1.607) 32.067 15.187 ( -8.180 -14.200 0.620) 16.399 15.965 ( -4.124 -3.570 -0.702) 5.499 16.501 ( -4.793 -28.063 -1.180) 28.494 17.979 ( -11.224 25.352 7.042) 28.606 19.819 ( 0.998 2.577 5.590) 6.235 21.677 ( -6.908 0.581 -8.825) 11.222 ======================= Grid point 693 (281/891) ======================= q-point: (-0.29 -0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( 1.051 -0.235 2.248) 2.492 3.416 ( -0.534 -0.763 -1.271) 1.576 6.561 ( 8.025 -11.249 -13.092) 19.035 9.165 ( -12.872 15.333 6.572) 21.071 11.486 ( 48.786 -30.194 3.389) 57.474 13.515 ( 35.874 11.108 0.361) 37.556 14.921 ( -3.726 -19.554 0.435) 19.911 15.846 ( -7.066 -5.791 -2.373) 9.439 16.018 ( -14.382 -29.409 3.584) 32.933 18.114 ( -10.207 31.916 5.259) 33.919 19.883 ( 3.616 -0.631 7.919) 8.728 21.534 ( -8.388 2.406 -11.340) 14.309 ======================= Grid point 694 (282/891) ======================= q-point: (-0.24 -0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( 1.339 -0.140 2.225) 2.601 3.396 ( -0.558 -0.717 -1.117) 1.441 6.568 ( 11.155 -11.843 -15.741) 22.638 9.117 ( -14.333 17.411 8.137) 23.974 11.876 ( 36.853 -43.751 4.213) 57.359 14.238 ( 35.210 9.845 -2.699) 36.660 14.739 ( 8.156 -20.263 1.598) 21.902 15.330 ( -23.235 -25.188 -0.519) 34.272 15.826 ( -1.168 -3.878 4.086) 5.753 18.226 ( -15.618 31.708 4.174) 35.591 19.985 ( 7.849 -2.764 10.149) 13.125 21.383 ( -9.392 4.550 -13.587) 17.132 ======================= Grid point 695 (283/891) ======================= q-point: (-0.19 -0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( 1.445 -0.033 1.919) 2.403 3.378 ( -0.500 -0.592 -0.858) 1.157 6.620 ( 14.237 -11.632 -16.763) 24.879 9.065 ( -15.441 18.356 9.059) 25.640 11.847 ( 15.315 -54.803 4.250) 57.062 14.456 ( -9.897 -16.575 -4.704) 19.870 14.755 ( 5.683 -21.464 -0.936) 22.224 15.200 ( 35.644 5.754 4.903) 36.437 15.820 ( 2.468 -1.145 2.362) 3.603 18.221 ( -20.855 28.490 4.855) 35.640 20.148 ( 10.573 -2.405 11.528) 15.826 21.233 ( -9.993 6.566 -15.446) 19.534 ======================= Grid point 696 (284/891) ======================= q-point: (-0.14 -0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( 1.297 0.008 1.317) 1.849 3.363 ( -0.396 -0.422 -0.493) 0.760 6.724 ( 16.397 -10.612 -16.053) 25.282 9.006 ( -15.664 17.996 9.271) 25.597 11.411 ( -1.890 -56.603 3.578) 56.747 13.909 ( -21.762 -23.109 -2.327) 31.828 14.864 ( 17.553 -8.998 -0.991) 19.750 15.764 ( 10.897 2.328 7.525) 13.446 16.027 ( 34.021 -2.658 -4.609) 34.434 18.137 ( -21.439 26.209 6.686) 34.514 20.341 ( 10.234 -1.410 12.342) 16.095 21.089 ( -10.117 7.939 -16.732) 21.103 ======================= Grid point 697 (285/891) ======================= q-point: (-0.10 -0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( 0.926 -0.029 0.561) 1.083 3.354 ( -0.261 -0.237 -0.070) 0.359 6.866 ( 16.327 -8.679 -13.526) 22.910 8.944 ( -14.085 15.922 8.516) 22.900 10.789 ( -10.371 -49.369 2.605) 50.513 13.348 ( -18.063 -21.427 -1.944) 28.092 15.072 ( 14.270 -4.673 -0.128) 15.016 15.886 ( 3.471 3.223 3.380) 5.818 16.559 ( 31.956 -11.205 -4.116) 34.113 18.101 ( -13.671 26.082 7.739) 30.448 20.517 ( 7.616 -1.346 12.524) 14.719 20.958 ( -8.921 8.217 -16.545) 20.514 ======================= Grid point 711 (286/891) ======================= q-point: (-0.43 -0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( 0.000 -0.236 1.887) 1.902 3.452 ( -0.000 -0.626 -1.277) 1.422 6.567 ( -0.000 -8.399 -3.910) 9.265 9.450 ( -0.000 8.847 1.581) 8.988 9.644 ( 0.000 -6.834 0.415) 6.846 11.893 ( 0.000 1.992 3.081) 3.669 15.724 ( 0.000 -14.689 -1.113) 14.731 16.136 ( -0.000 0.447 0.039) 0.448 16.354 ( -0.000 -1.000 -1.282) 1.626 18.286 ( 0.000 0.263 6.495) 6.500 19.767 ( 0.000 6.056 3.604) 7.048 21.883 ( -0.000 -0.848 -6.294) 6.351 ======================= Grid point 712 (287/891) ======================= q-point: (-0.38 -0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 0.201 -0.459 2.351) 2.404 3.440 ( 0.014 -1.002 -1.680) 1.956 6.467 ( 1.715 -11.136 -9.502) 14.739 9.517 ( -5.567 13.116 4.484) 14.937 9.711 ( 19.420 -14.333 2.085) 24.226 12.056 ( 14.055 5.107 2.544) 15.169 15.469 ( -6.624 -21.778 -1.723) 22.828 16.086 ( -3.275 -3.419 0.463) 4.757 16.405 ( 6.596 -7.001 -1.505) 9.736 18.263 ( -4.725 2.205 9.970) 11.251 19.849 ( -1.391 9.534 4.435) 10.607 21.837 ( -2.484 0.262 -9.221) 9.554 ======================= Grid point 713 (288/891) ======================= q-point: (-0.33 -0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( 0.482 -0.622 2.740) 2.851 3.424 ( 0.020 -1.254 -1.860) 2.243 6.360 ( 3.926 -13.454 -14.696) 20.307 9.550 ( -9.367 16.578 7.068) 20.311 10.005 ( 34.702 -21.886 3.459) 41.173 12.459 ( 25.233 7.740 1.952) 26.466 15.112 ( -6.302 -28.006 -1.530) 28.747 15.986 ( -3.626 -5.220 1.024) 6.438 16.329 ( -2.213 -17.606 -1.463) 17.805 18.296 ( -2.056 12.458 10.770) 16.596 19.908 ( -3.571 7.546 6.239) 10.422 21.757 ( -4.684 1.875 -11.928) 12.952 ======================= Grid point 714 (289/891) ======================= q-point: (-0.29 -0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 0.854 -0.687 2.987) 3.181 3.406 ( -0.015 -1.351 -1.774) 2.230 6.262 ( 6.829 -15.176 -19.043) 25.290 9.568 ( -11.978 19.233 9.233) 24.467 10.429 ( 43.020 -29.906 4.358) 52.574 13.036 ( 32.711 9.036 1.242) 33.959 14.724 ( -3.268 -33.749 -1.358) 33.935 15.870 ( -4.576 -7.971 -1.142) 9.262 16.000 ( -11.805 -20.556 2.895) 23.881 18.485 ( 0.120 21.879 8.679) 23.538 19.911 ( -3.762 2.153 8.781) 9.793 21.654 ( -6.508 4.039 -14.277) 16.202 ======================= Grid point 715 (290/891) ======================= q-point: (-0.24 -0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 1.248 -0.641 2.984) 3.298 3.388 ( -0.047 -1.295 -1.455) 1.948 6.196 ( 10.466 -16.174 -22.144) 29.351 9.572 ( -14.034 20.896 10.750) 27.371 10.828 ( 40.777 -39.045 4.991) 56.676 13.706 ( 36.550 7.290 -0.028) 37.270 14.378 ( 3.658 -35.164 -1.223) 35.375 15.448 ( -19.161 -23.244 -1.572) 30.165 15.832 ( -2.244 -3.691 5.523) 7.011 18.711 ( -5.436 26.375 6.116) 27.615 19.901 ( 1.108 -3.359 11.451) 11.985 21.540 ( -7.987 6.434 -16.101) 19.090 ======================= Grid point 716 (291/891) ======================= q-point: (-0.19 -0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( 1.516 -0.540 2.610) 3.066 3.372 ( -0.046 -1.100 -0.947) 1.452 6.182 ( 14.611 -16.433 -23.709) 32.336 9.559 ( -15.925 21.577 11.632) 29.231 10.996 ( 26.781 -48.849 5.265) 55.957 14.215 ( 16.575 -30.739 -0.617) 34.928 14.287 ( 22.135 -6.917 -4.451) 23.614 14.976 ( -6.602 -10.493 2.475) 12.642 15.802 ( -0.013 -1.754 4.973) 5.273 18.798 ( -15.475 23.638 5.769) 28.836 19.985 ( 9.102 -3.406 12.396) 15.751 21.421 ( -9.217 8.510 -17.305) 21.373 ======================= Grid point 717 (292/891) ======================= q-point: (-0.14 -0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.252 ( 1.542 -0.499 1.809) 2.429 3.361 ( -0.034 -0.786 -0.294) 0.840 6.237 ( 18.727 -16.060 -23.675) 34.192 9.519 ( -17.589 21.271 11.967) 30.084 10.810 ( 9.987 -53.776 5.071) 54.930 14.015 ( -18.155 -24.379 -4.903) 30.790 14.332 ( 27.166 -22.996 0.046) 35.593 15.311 ( 32.967 3.527 1.829) 33.206 15.823 ( 2.268 -0.408 3.848) 4.485 18.711 ( -19.367 17.436 7.846) 27.215 20.187 ( 11.600 0.288 11.440) 16.295 21.297 ( -10.254 9.792 -17.885) 22.823 ======================= Grid point 718 (293/891) ======================= q-point: (-0.10 -0.43 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( 1.358 -0.575 0.805) 1.680 3.354 ( -0.056 -0.401 0.327) 0.520 6.363 ( 22.026 -15.243 -22.244) 34.818 9.448 ( -18.749 20.022 11.869) 29.888 10.390 ( 0.114 -49.842 4.682) 50.062 13.448 ( -19.255 -21.989 -4.503) 29.573 14.622 ( 28.253 -16.114 0.933) 32.538 15.840 ( 14.650 1.159 5.808) 15.801 15.928 ( 22.096 -4.062 -3.949) 22.810 18.581 ( -16.166 14.289 9.801) 23.697 20.410 ( 9.408 1.993 10.564) 14.285 21.165 ( -10.904 9.975 -17.739) 23.088 ======================= Grid point 733 (294/891) ======================= q-point: (-0.38 -0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 0.000 -0.781 2.931) 3.033 3.422 ( -0.000 -1.514 -2.200) 2.671 6.295 ( -0.000 -14.119 -15.126) 20.692 9.377 ( 0.000 -21.072 2.691) 21.243 9.742 ( 0.000 18.134 8.117) 19.868 11.998 ( 0.000 6.568 2.397) 6.992 15.240 ( 0.000 -33.921 -2.694) 34.028 16.075 ( 0.000 -6.804 0.730) 6.843 16.303 ( -0.000 -3.360 -1.479) 3.672 18.325 ( 0.000 -0.574 13.057) 13.070 19.989 ( 0.000 12.123 5.520) 13.321 21.836 ( -0.000 1.655 -12.175) 12.287 ======================= Grid point 734 (295/891) ======================= q-point: (-0.33 -0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 0.262 -1.088 3.444) 3.621 3.400 ( 0.238 -1.925 -2.509) 3.172 6.113 ( 2.159 -16.665 -20.424) 26.449 9.312 ( 18.344 -26.677 3.377) 32.551 9.910 ( -5.853 21.172 11.098) 24.610 12.198 ( 14.669 7.592 2.187) 16.661 14.840 ( -2.469 -41.340 -2.444) 41.486 15.977 ( -2.194 -8.527 0.251) 8.808 16.242 ( -2.573 -8.063 -1.331) 8.568 18.392 ( 2.644 4.570 14.078) 15.036 20.084 ( -3.892 9.596 7.337) 12.691 21.804 ( -2.318 3.674 -14.797) 15.421 ======================= Grid point 735 (296/891) ======================= q-point: (-0.29 -0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( 0.644 -1.323 3.788) 4.064 3.379 ( 0.502 -2.147 -2.452) 3.298 5.937 ( 5.001 -18.632 -24.966) 31.551 9.467 ( 31.324 -31.448 3.682) 44.539 10.028 ( -8.924 22.349 13.530) 27.607 12.625 ( 25.860 7.589 1.917) 27.018 14.371 ( -1.556 -46.128 -2.142) 46.204 15.835 ( -3.792 -12.664 -2.194) 13.400 16.040 ( -9.269 -10.121 2.321) 13.919 18.600 ( 7.640 12.308 12.271) 18.985 20.077 ( -7.711 4.096 9.487) 12.893 21.750 ( -4.394 6.203 -16.815) 18.453 ======================= Grid point 736 (297/891) ======================= q-point: (-0.24 -0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 1.128 -1.425 3.816) 4.227 3.362 ( 0.669 -2.149 -1.975) 2.995 5.788 ( 8.711 -19.886 -28.343) 35.702 9.713 ( 31.215 -32.209 4.245) 45.054 10.138 ( -5.414 18.213 14.780) 24.072 13.182 ( 31.931 3.551 1.393) 32.159 13.925 ( 3.571 -44.997 -2.189) 45.192 15.507 ( -14.035 -21.062 -3.788) 25.591 15.866 ( -4.492 -3.890 5.887) 8.364 18.921 ( 7.978 18.305 8.963) 21.888 19.972 ( -8.386 -2.484 11.782) 14.674 21.684 ( -6.258 8.711 -18.031) 20.980 ======================= Grid point 737 (298/891) ======================= q-point: (-0.19 -0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( 1.569 -1.398 3.336) 3.942 3.350 ( 0.751 -1.920 -1.094) 2.334 5.693 ( 13.237 -20.376 -30.188) 38.752 9.852 ( 15.933 -24.746 6.579) 30.158 10.275 ( 2.566 4.031 13.320) 14.151 13.515 ( 20.236 -40.715 0.215) 45.467 13.861 ( 24.703 -2.850 -3.103) 25.060 15.034 ( -14.858 -18.653 -1.094) 23.873 15.809 ( -1.274 -2.310 5.640) 6.226 19.193 ( -3.377 19.420 6.372) 20.715 19.878 ( 1.088 -5.926 13.409) 14.701 21.607 ( -7.964 10.651 -18.497) 22.782 ======================= Grid point 738 (299/891) ======================= q-point: (-0.14 -0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.221 ( 1.781 -1.379 2.224) 3.165 3.345 ( 0.751 -1.437 0.099) 1.624 5.674 ( 18.201 -20.169 -30.273) 40.675 9.815 ( 8.246 -28.354 7.508) 30.469 10.319 ( -5.312 1.469 12.204) 13.391 13.528 ( 30.347 -37.891 -0.126) 48.546 13.999 ( -3.854 -18.787 -6.300) 20.187 14.913 ( 17.016 0.039 2.111) 17.146 15.805 ( 0.917 -1.218 5.262) 5.478 19.162 ( -16.538 8.724 8.813) 20.671 20.027 ( 12.389 2.086 10.591) 16.432 21.517 ( -9.576 11.770 -18.414) 23.860 ======================= Grid point 739 (300/891) ======================= q-point: (-0.10 -0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.242 ( 1.772 -1.468 0.868) 2.459 3.347 ( 0.581 -0.779 1.118) 1.481 5.743 ( 22.895 -19.436 -28.681) 41.528 9.633 ( 7.497 -39.203 6.435) 40.428 10.221 ( -17.346 12.147 12.423) 24.551 13.509 ( -13.069 -24.055 -5.737) 27.971 13.844 ( 35.474 -27.794 0.438) 45.068 15.357 ( 28.439 0.883 -0.083) 28.453 15.843 ( 2.802 -0.203 4.641) 5.425 18.962 ( -15.701 3.238 11.213) 19.564 20.300 ( 11.198 5.410 8.285) 14.943 21.408 ( -11.145 11.997 -17.919) 24.274 ======================= Grid point 755 (301/891) ======================= q-point: (-0.33 -0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( 0.000 -1.622 4.126) 4.433 3.368 ( -0.000 -2.597 -3.069) 4.020 5.855 ( -0.000 -19.357 -25.836) 32.283 8.888 ( 0.000 -30.868 4.110) 31.141 10.217 ( 0.000 23.744 13.972) 27.550 12.150 ( 0.000 7.288 2.248) 7.627 14.407 ( 0.000 -49.925 -2.472) 49.986 15.893 ( 0.000 -11.771 -1.036) 11.816 16.210 ( -0.000 -5.330 -1.673) 5.586 18.442 ( 0.000 4.495 15.824) 16.450 20.225 ( 0.000 6.725 8.959) 11.202 21.825 ( -0.000 6.126 -17.134) 18.196 ======================= Grid point 756 (302/891) ======================= q-point: (-0.29 -0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( 0.383 -2.160 4.634) 5.127 3.336 ( 0.634 -3.105 -3.246) 4.536 5.599 ( 2.707 -21.431 -30.542) 37.409 8.735 ( 17.685 -34.713 4.489) 39.216 10.438 ( -6.405 24.410 16.332) 30.060 12.352 ( 14.800 6.529 2.292) 16.338 13.887 ( -0.070 -54.553 -2.485) 54.610 15.746 ( -2.221 -14.511 -2.573) 14.904 16.097 ( -5.898 -6.579 -0.291) 8.841 18.605 ( 6.836 9.028 14.754) 18.599 20.250 ( -5.251 1.446 10.557) 11.879 21.828 ( -2.227 8.836 -18.570) 20.685 ======================= Grid point 757 (303/891) ======================= q-point: (-0.24 -0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( 0.950 -2.588 4.709) 5.457 3.312 ( 1.316 -3.321 -2.745) 4.505 5.367 ( 6.239 -22.799 -34.166) 41.546 8.805 ( 30.191 -38.676 4.643) 49.284 10.580 ( -9.907 24.183 17.915) 31.684 12.734 ( 23.235 -0.637 2.187) 23.346 13.385 ( 4.716 -50.087 -2.863) 50.390 15.488 ( -8.683 -19.432 -4.460) 21.746 15.931 ( -6.171 -4.914 3.152) 8.494 18.917 ( 12.140 13.753 11.420) 21.609 20.141 ( -9.717 -4.035 11.929) 15.906 21.816 ( -4.372 11.080 -19.019) 22.441 ======================= Grid point 758 (304/891) ======================= q-point: (-0.19 -0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( 1.616 -2.792 4.043) 5.172 3.301 ( 1.802 -3.186 -1.390) 3.915 5.184 ( 10.763 -23.421 -36.325) 44.541 8.968 ( 33.244 -43.560 4.785) 55.005 10.687 ( -11.182 24.206 18.628) 32.526 12.789 ( 13.696 -49.395 -0.955) 51.268 13.400 ( 26.045 -2.133 -1.385) 26.168 15.078 ( -13.653 -20.875 -3.483) 25.185 15.831 ( -2.692 -3.237 4.479) 6.147 19.302 ( 11.471 16.442 7.654) 21.460 19.936 ( -10.317 -8.364 13.229) 18.746 21.787 ( -6.391 12.488 -18.762) 23.427 ======================= Grid point 759 (305/891) ======================= q-point: (-0.14 -0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( 2.097 -2.831 2.478) 4.307 3.304 ( 2.049 -2.614 0.695) 3.394 5.079 ( 16.149 -23.351 -36.635) 46.348 9.045 ( 26.594 -48.923 5.113) 55.918 10.774 ( -13.528 25.067 17.843) 33.611 12.620 ( 26.575 -48.189 -1.540) 55.052 13.751 ( 14.281 -9.372 -4.480) 17.660 14.739 ( -0.823 -10.961 0.029) 10.992 15.795 ( -0.053 -2.364 4.690) 5.253 19.479 ( -11.267 3.002 9.386) 14.969 19.884 ( 10.216 2.803 9.699) 14.363 21.737 ( -8.276 13.119 -18.125) 23.856 ======================= Grid point 760 (306/891) ======================= q-point: (-0.10 -0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( 2.301 -2.854 0.743) 3.741 3.322 ( 1.870 -1.651 2.428) 3.481 5.073 ( 21.860 -22.670 -34.847) 46.969 8.946 ( 18.622 -50.603 5.327) 54.183 10.799 ( -18.847 25.663 15.644) 35.476 12.768 ( 41.615 -40.401 -0.543) 58.003 13.560 ( -10.446 -21.732 -6.470) 24.965 14.936 ( 23.251 0.709 0.997) 23.283 15.806 ( 2.141 -1.695 4.604) 5.352 19.239 ( -14.965 -5.444 12.583) 20.296 20.190 ( 12.451 8.953 5.537) 16.305 21.660 ( -10.136 13.091 -17.277) 23.929 ======================= Grid point 777 (307/891) ======================= q-point: (-0.29 -0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 0.000 -3.177 5.385) 6.252 3.284 ( -0.000 -4.071 -3.892) 5.632 5.265 ( -0.000 -23.450 -35.431) 42.489 8.251 ( 0.000 -37.267 4.916) 37.590 10.774 ( 0.000 22.449 19.239) 29.565 12.292 ( 0.000 5.840 2.385) 6.308 13.326 ( 0.000 -58.664 -3.017) 58.741 15.612 ( 0.000 -15.961 -3.171) 16.273 16.082 ( -0.000 -6.779 -1.872) 7.033 18.677 ( 0.000 10.767 14.787) 18.292 20.318 ( 0.000 -3.339 11.603) 12.074 21.891 ( -0.000 11.281 -19.222) 22.288 ======================= Grid point 778 (308/891) ======================= q-point: (-0.24 -0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( 0.624 -4.246 5.585) 7.043 3.241 ( 1.326 -4.792 -3.761) 6.234 4.953 ( 3.264 -24.644 -39.261) 46.469 8.039 ( 16.903 -39.739 5.093) 43.484 10.973 ( -5.139 16.317 21.423) 27.415 12.431 ( 8.708 -6.172 1.913) 10.844 12.808 ( 6.815 -45.406 -3.462) 46.045 15.401 ( -4.535 -18.908 -4.363) 19.928 15.971 ( -4.081 -6.569 -0.520) 7.750 18.905 ( 8.047 14.152 11.826) 20.122 20.250 ( -5.563 -7.774 12.515) 15.748 21.935 ( -2.306 12.851 -18.922) 22.990 ======================= Grid point 779 (309/891) ======================= q-point: (-0.19 -0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( 1.600 -5.040 4.550) 6.976 3.218 ( 2.732 -5.117 -2.063) 6.157 4.686 ( 7.370 -25.045 -41.684) 49.185 8.043 ( 27.963 -42.591 5.083) 51.204 11.060 ( -3.690 5.563 22.709) 23.670 12.162 ( 2.026 -43.198 -3.633) 43.398 12.965 ( 24.037 0.350 0.258) 24.041 15.063 ( -10.310 -21.554 -4.614) 24.334 15.851 ( -3.094 -5.115 1.642) 6.199 19.262 ( 12.793 16.266 7.630) 22.056 20.063 ( -9.975 -10.788 13.331) 19.840 21.953 ( -4.544 13.491 -18.113) 23.037 ======================= Grid point 780 (310/891) ======================= q-point: (-0.14 -0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( 2.620 -5.226 2.401) 6.320 3.223 ( 3.838 -4.965 1.083) 6.368 4.490 ( 12.500 -24.853 -42.415) 50.724 8.121 ( 29.246 -46.474 5.089) 55.146 11.121 ( 5.260 -6.178 22.428) 23.851 11.852 ( 4.681 -28.711 -4.568) 29.446 13.368 ( 21.846 -3.026 -1.840) 22.131 14.678 ( -7.984 -18.241 -2.526) 20.071 15.782 ( -0.658 -4.102 2.837) 5.031 19.620 ( 4.659 8.656 7.306) 12.248 19.838 ( -3.692 -4.786 10.730) 12.316 21.941 ( -6.590 13.487 -17.102) 22.755 ======================= Grid point 781 (311/891) ======================= q-point: (-0.10 -0.29 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( 3.181 -4.979 0.401) 5.922 3.256 ( 4.311 -3.970 4.098) 7.151 4.394 ( 18.676 -24.344 -41.084) 51.277 8.117 ( 23.895 -49.116 5.165) 54.864 11.277 ( 7.306 1.611 22.240) 23.465 11.741 ( 17.146 -27.326 -6.030) 32.818 13.453 ( -0.874 -17.105 -5.805) 18.085 14.602 ( 14.529 -4.486 0.762) 15.225 15.762 ( 1.577 -3.564 3.491) 5.233 19.438 ( -13.801 -10.730 14.449) 22.680 20.093 ( 12.492 12.477 1.669) 17.735 21.896 ( -8.511 13.029 -16.003) 22.322 ======================= Grid point 799 (312/891) ======================= q-point: (-0.24 -0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( 0.000 -6.471 6.033) 8.847 3.162 ( -0.000 -6.316 -4.645) 7.840 4.567 ( -0.000 -25.226 -43.068) 49.912 7.520 ( 0.000 -40.903 5.388) 41.256 11.104 ( 0.000 -14.912 22.445) 26.947 12.299 ( 0.000 -31.400 -3.564) 31.602 12.399 ( 0.000 3.771 2.561) 4.558 15.242 ( 0.000 -20.018 -4.626) 20.545 15.930 ( -0.000 -7.685 -2.079) 7.961 19.014 ( 0.000 16.677 9.366) 19.127 20.242 ( 0.000 -11.058 13.478) 17.434 22.031 ( -0.000 13.615 -18.060) 22.617 ======================= Grid point 800 (313/891) ======================= q-point: (-0.19 -0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 1.320 -8.805 4.416) 9.938 3.102 ( 2.534 -7.691 -3.698) 8.903 4.230 ( 3.510 -24.509 -44.925) 51.296 7.274 ( 15.971 -42.012 5.415) 45.271 10.834 ( 5.342 -54.558 15.983) 57.101 12.071 ( -10.044 4.701 3.349) 11.584 12.627 ( 17.879 2.877 1.991) 18.218 14.976 ( -5.857 -22.132 -4.912) 23.415 15.833 ( -1.649 -7.201 -1.168) 7.479 19.272 ( 7.488 18.270 5.013) 20.371 20.118 ( -5.447 -12.718 14.496) 20.039 22.094 ( -2.388 13.562 -16.872) 21.779 ======================= Grid point 801 (314/891) ======================= q-point: (-0.14 -0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( 3.682 -9.968 1.607) 10.748 3.078 ( 5.230 -9.239 -1.381) 10.706 3.965 ( 7.302 -22.744 -44.561) 50.560 7.234 ( 25.307 -43.653 5.233) 50.729 10.459 ( 18.490 -65.938 10.357) 69.260 12.024 ( -11.848 17.548 8.176) 22.697 12.988 ( 20.865 0.528 0.272) 20.873 14.617 ( -8.430 -21.730 -3.879) 23.629 15.747 ( -0.486 -6.195 0.441) 6.229 19.604 ( 9.523 13.170 3.849) 16.702 19.920 ( -7.998 -8.440 12.162) 16.826 22.118 ( -4.630 13.044 -15.586) 20.844 ======================= Grid point 802 (315/891) ======================= q-point: (-0.10 -0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 5.445 -9.161 -0.268) 10.660 3.095 ( 8.492 -10.646 1.472) 13.697 3.789 ( 11.512 -20.737 -42.838) 48.966 7.252 ( 25.629 -45.669 5.057) 52.613 10.325 ( 37.443 -60.978 6.838) 71.882 12.024 ( -14.393 21.410 9.920) 27.639 13.231 ( 9.643 -9.588 -3.626) 14.074 14.368 ( 3.951 -12.542 -0.696) 13.168 15.701 ( 1.364 -5.587 1.874) 6.049 19.575 ( -10.661 -13.328 18.224) 24.968 20.035 ( 9.843 16.273 -4.878) 19.634 22.103 ( -6.671 12.224 -14.255) 19.928 ======================= Grid point 821 (316/891) ======================= q-point: (-0.19 -0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( 0.000 -14.807 0.840) 14.831 2.979 ( -0.000 -10.057 -5.219) 11.330 3.852 ( -0.000 -21.406 -43.545) 48.522 6.750 ( 0.000 -41.422 5.583) 41.797 10.166 ( 0.000 -74.960 10.090) 75.636 12.352 ( 0.000 18.606 8.926) 20.636 12.468 ( 0.000 1.927 2.674) 3.296 14.794 ( 0.000 -23.225 -4.824) 23.720 15.765 ( -0.000 -8.043 -2.270) 8.357 19.399 ( -0.000 18.686 1.125) 18.720 20.084 ( 0.000 -12.142 15.438) 19.641 22.197 ( -0.000 13.022 -15.382) 20.154 ======================= Grid point 822 (317/891) ======================= q-point: (-0.14 -0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 4.551 -20.686 -7.759) 22.557 2.885 ( 3.581 -12.266 -5.058) 13.743 3.577 ( 2.577 -16.702 -36.347) 40.084 6.497 ( 14.673 -40.836 5.390) 43.725 9.525 ( 10.986 -78.408 7.533) 79.532 12.390 ( -7.814 14.484 8.902) 18.710 12.720 ( 13.622 5.989 3.327) 15.248 14.505 ( -5.305 -23.380 -4.043) 24.313 15.681 ( 0.088 -7.622 -1.561) 7.781 19.603 ( 4.894 9.387 3.740) 11.227 19.996 ( -4.064 -2.641 9.305) 10.492 22.258 ( -2.415 12.185 -13.803) 18.569 ======================= Grid point 823 (318/891) ======================= q-point: (-0.10 -0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 12.231 -24.173 -15.303) 31.115 2.833 ( 6.465 -13.337 -4.367) 15.451 3.408 ( 4.415 -12.218 -27.048) 30.006 6.438 ( 22.200 -40.916 4.968) 46.815 9.131 ( 28.943 -72.685 5.482) 78.428 12.446 ( -8.349 17.400 10.596) 22.017 12.968 ( 11.841 -2.756 -1.326) 12.230 14.206 ( -2.232 -18.196 -1.572) 18.399 15.619 ( 1.355 -7.055 0.121) 7.185 19.627 ( -4.189 -13.836 23.625) 27.697 20.069 ( 3.463 19.425 -13.664) 24.001 22.274 ( -4.691 11.154 -12.167) 17.159 ======================= Grid point 843 (319/891) ======================= q-point: (-0.14 -0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -0.000 -27.796 -23.663) 36.504 2.698 ( -0.000 -16.404 -5.299) 17.239 3.334 ( -0.000 -13.012 -23.108) 26.519 6.008 ( 0.000 -37.785 5.233) 38.146 8.664 ( 0.000 -82.664 6.478) 82.917 12.507 ( 0.000 0.654 2.710) 2.787 12.773 ( 0.000 16.783 9.118) 19.100 14.313 ( 0.000 -23.192 -3.059) 23.393 15.598 ( -0.000 -7.792 -2.386) 8.149 19.624 ( 0.000 -2.899 13.078) 13.395 20.074 ( -0.000 10.980 -3.424) 11.501 22.355 ( -0.000 11.175 -11.886) 16.314 ======================= Grid point 844 (320/891) ======================= q-point: (-0.10 -0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 7.713 -29.876 -32.056) 44.493 2.560 ( 6.038 -19.154 -4.575) 20.598 3.182 ( 2.763 -12.542 -14.246) 19.181 5.784 ( 12.735 -35.155 4.643) 37.678 8.020 ( 16.648 -79.405 5.284) 81.303 12.584 ( 6.398 2.896 4.518) 8.350 12.909 ( -2.113 8.178 3.865) 9.289 14.068 ( -2.723 -18.731 -0.609) 18.938 15.526 ( 1.025 -7.366 -1.529) 7.592 19.600 ( -0.474 -13.673 28.360) 31.488 20.197 ( -0.152 21.525 -21.854) 30.675 22.406 ( -2.479 10.054 -9.885) 14.316 ======================= Grid point 865 (321/891) ======================= q-point: (-0.10 -0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -0.000 -30.307 -38.942) 49.345 2.266 ( 0.000 -25.856 -4.378) 26.224 2.977 ( -0.000 -18.005 -8.205) 19.787 5.377 ( 0.000 -29.446 3.818) 29.693 7.117 ( 0.000 -78.803 4.897) 78.955 12.527 ( 0.000 -0.053 2.677) 2.677 13.014 ( 0.000 2.444 1.829) 3.053 13.936 ( 0.000 -12.829 2.127) 13.004 15.442 ( -0.000 -6.807 -2.348) 7.201 19.556 ( 0.000 -14.358 35.493) 38.287 20.342 ( -0.000 22.918 -31.972) 39.337 22.494 ( -0.000 8.911 -7.524) 11.662 ======================= Grid point 932 (322/891) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 0.000 -0.000 27.548) 27.548 0.463 ( 0.000 -0.000 27.548) 27.548 1.804 ( 0.000 -0.000 106.140) 106.140 4.504 ( -0.000 0.000 -9.979) 9.979 4.504 ( -0.000 0.000 -9.979) 9.979 12.569 ( 0.000 -0.000 4.160) 4.160 12.569 ( 0.000 -0.000 4.160) 4.160 13.758 ( -0.000 0.000 -24.420) 24.420 15.192 ( -0.000 0.000 -2.024) 2.024 15.192 ( -0.000 0.000 -2.024) 2.024 22.834 ( 0.000 -0.000 11.160) 11.160 25.748 ( -0.000 0.000 -4.192) 4.192 ======================= Grid point 933 (323/891) ======================= q-point: ( 0.14 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 32.185 18.582 15.310) 40.194 1.406 ( 41.100 23.729 20.289) 51.613 2.215 ( 13.626 7.867 94.734) 96.031 4.551 ( 7.276 4.201 -11.605) 14.327 4.790 ( 26.073 15.053 -14.034) 33.216 12.615 ( 1.555 0.898 5.996) 6.259 12.630 ( 5.711 3.297 1.541) 6.772 13.672 ( -0.704 -0.406 -25.967) 25.979 15.188 ( 1.287 0.743 -3.333) 3.650 16.856 ( 82.566 47.669 -84.662) 127.503 22.800 ( -8.647 -4.992 14.507) 17.610 23.661 ( -96.645 -55.798 97.849) 148.419 ======================= Grid point 934 (324/891) ======================= q-point: ( 0.19 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 29.165 16.838 11.300) 35.522 2.081 ( 15.878 9.167 44.811) 48.416 2.892 ( 21.769 12.568 58.784) 63.933 4.777 ( 16.363 9.447 -12.668) 22.748 5.645 ( 54.034 31.197 -12.017) 63.540 12.669 ( 1.633 0.943 7.197) 7.440 12.761 ( 4.184 2.415 -8.057) 9.394 13.635 ( 5.090 2.939 -19.000) 19.889 15.230 ( 3.409 1.968 -4.178) 5.740 17.945 ( 39.941 23.060 -63.950) 78.846 22.128 ( -47.723 -27.553 57.261) 79.470 22.881 ( -10.249 -5.917 26.963) 29.446 ======================= Grid point 935 (325/891) ======================= q-point: ( 0.24 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 20.489 11.829 9.291) 25.418 2.517 ( 13.731 7.928 35.779) 39.135 3.431 ( 14.011 8.089 53.038) 55.450 5.219 ( 26.362 15.220 -12.386) 32.864 7.038 ( 70.423 40.659 -8.621) 81.773 12.681 ( -7.389 -4.266 -22.717) 24.266 12.725 ( 1.434 0.828 7.668) 7.845 13.854 ( 16.878 9.744 -4.797) 20.071 15.314 ( 5.126 2.960 -4.445) 7.403 18.449 ( 20.375 11.763 -40.985) 47.257 21.386 ( -31.057 -17.931 33.840) 49.307 22.754 ( -8.346 -4.818 20.725) 22.856 ======================= Grid point 936 (326/891) ======================= q-point: ( 0.29 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 12.476 7.203 7.072) 16.048 2.880 ( 11.796 6.810 14.381) 19.808 3.899 ( 14.976 8.646 60.026) 62.468 5.863 ( 33.520 19.353 -10.841) 40.195 8.638 ( 73.454 42.409 -6.702) 85.082 12.349 ( -15.214 -8.784 -27.412) 32.558 12.774 ( 0.907 0.523 7.466) 7.539 14.289 ( 21.065 12.162 1.534) 24.372 15.430 ( 6.262 3.616 -4.167) 8.346 18.665 ( 8.024 4.633 -26.432) 28.009 20.912 ( -17.641 -10.185 14.054) 24.747 22.611 ( -9.693 -5.596 19.717) 22.673 ======================= Grid point 937 (327/891) ======================= q-point: ( 0.33 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 7.481 4.319 5.098) 10.031 3.114 ( 7.409 4.277 1.383) 8.666 4.459 ( 19.775 11.417 60.383) 64.556 6.619 ( 36.034 20.804 -9.089) 42.589 10.228 ( 69.575 40.169 -7.127) 80.654 11.877 ( -19.563 -11.295 -25.144) 33.801 12.804 ( -0.020 -0.011 6.719) 6.719 14.762 ( 20.118 11.615 3.550) 23.500 15.565 ( 6.768 3.908 -3.468) 8.550 18.682 ( 0.126 0.073 -19.946) 19.946 20.668 ( -6.759 -3.903 2.390) 8.163 22.430 ( -11.472 -6.623 19.075) 23.224 ======================= Grid point 938 (328/891) ======================= q-point: ( 0.38 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( 4.686 2.706 3.705) 6.558 3.235 ( 4.000 2.309 -2.292) 5.156 5.100 ( 22.839 13.186 53.025) 59.221 7.392 ( 34.920 20.161 -7.628) 41.038 11.169 ( -13.436 -7.757 -30.067) 33.834 11.855 ( 53.254 30.746 1.485) 61.510 12.807 ( -1.357 -0.783 5.518) 5.737 15.192 ( 17.453 10.076 3.672) 20.484 15.708 ( 6.682 3.858 -2.485) 8.106 18.598 ( -1.917 -1.107 -19.280) 19.407 20.590 ( -1.035 -0.598 -2.227) 2.527 22.205 ( -13.447 -7.764 18.467) 24.127 ======================= Grid point 939 (329/891) ======================= q-point: ( 0.43 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( 3.002 1.733 2.802) 4.457 3.293 ( 2.008 1.159 -2.689) 3.551 5.758 ( 23.599 13.625 43.357) 51.209 8.116 ( 31.313 18.079 -6.331) 36.707 10.568 ( -27.004 -15.591 -24.389) 39.587 12.773 ( -2.939 -1.697 3.859) 5.139 13.143 ( 55.092 31.808 0.393) 63.617 15.567 ( 15.667 9.045 2.521) 18.265 15.846 ( 6.060 3.499 -1.331) 7.123 18.511 ( -0.777 -0.449 -19.771) 19.791 20.579 ( 0.300 0.173 -3.952) 3.967 21.937 ( -15.100 -8.718 18.072) 25.112 ======================= Grid point 940 (330/891) ======================= q-point: ( 0.48 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( 1.835 1.060 2.222) 3.070 3.317 ( 0.961 0.555 -2.304) 2.557 6.382 ( 22.320 12.886 32.966) 41.845 8.739 ( 25.673 14.822 -4.867) 30.042 9.888 ( -27.586 -15.927 -19.799) 37.506 12.699 ( -4.311 -2.489 1.643) 5.242 14.238 ( 41.679 24.064 1.455) 48.149 15.927 ( 16.768 9.681 0.421) 19.367 15.967 ( 4.947 2.856 -0.094) 5.713 18.452 ( 0.268 0.155 -18.540) 18.543 20.565 ( -0.548 -0.317 -5.905) 5.939 21.644 ( -15.334 -8.853 18.104) 25.323 ======================= Grid point 941 (331/891) ======================= q-point: ( 0.52 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( 0.906 0.523 1.842) 2.119 3.327 ( 0.507 0.293 -1.851) 1.941 6.908 ( 16.830 9.717 20.507) 28.253 9.219 ( 17.904 10.337 -2.916) 20.879 9.268 ( -22.315 -12.884 -13.224) 28.963 12.596 ( -4.700 -2.714 -1.233) 5.566 14.971 ( 23.145 13.363 3.594) 26.966 16.063 ( 3.398 1.962 1.136) 4.085 16.320 ( 17.824 10.290 -2.942) 20.790 18.421 ( 1.439 0.831 -14.264) 14.360 20.516 ( -1.886 -1.089 -9.116) 9.372 21.375 ( -12.917 -7.458 18.246) 23.567 ======================= Grid point 942 (332/891) ======================= q-point: ( 0.57 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.324 ( 0.078 0.045 1.590) 1.592 3.332 ( 0.417 0.241 -1.515) 1.590 7.145 ( -1.266 -0.731 1.968) 2.452 8.931 ( -3.212 -1.855 0.003) 3.709 9.504 ( 7.747 4.473 -0.429) 8.956 12.495 ( -3.303 -1.907 -4.633) 6.001 15.315 ( 7.329 4.231 5.927) 10.332 16.123 ( 1.523 0.879 2.270) 2.871 16.609 ( 6.977 4.028 -7.794) 11.210 18.462 ( 5.348 3.088 -6.176) 8.733 20.450 ( -0.388 -0.224 -12.829) 12.837 21.183 ( -8.793 -5.076 17.339) 20.093 ======================= Grid point 943 (333/891) ======================= q-point: (-0.38 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.321 ( -0.736 -0.425 1.423) 1.658 3.338 ( 0.509 0.294 -1.322) 1.446 6.848 ( -21.501 -12.413 -12.015) 27.581 9.144 ( 18.522 10.693 9.736) 23.499 9.549 ( -4.120 -2.379 1.982) 5.154 12.435 ( -0.339 -0.196 -7.798) 7.807 15.350 ( -6.108 -3.527 7.450) 10.260 16.142 ( -0.499 -0.288 3.219) 3.270 16.541 ( -9.914 -5.724 -10.438) 15.492 18.614 ( 7.775 4.489 0.954) 9.029 20.468 ( 6.092 3.517 -15.437) 16.965 21.072 ( -5.435 -3.138 15.203) 16.448 ======================= Grid point 944 (334/891) ======================= q-point: (-0.33 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.299 ( -1.616 -0.933 1.325) 2.288 3.347 ( 0.611 0.353 -1.271) 1.453 6.228 ( -29.207 -16.863 -14.841) 36.846 9.335 ( -15.438 -8.913 3.345) 18.138 9.700 ( 27.263 15.740 9.713) 32.944 12.435 ( 2.346 1.355 -9.666) 10.039 15.045 ( -24.059 -13.891 6.285) 28.484 16.119 ( -2.451 -1.415 3.921) 4.836 16.202 ( -15.888 -9.173 -7.206) 19.710 18.770 ( 5.454 3.149 2.407) 6.742 20.619 ( 9.639 5.565 -13.793) 17.724 21.032 ( -0.657 -0.379 11.182) 11.208 ======================= Grid point 945 (335/891) ======================= q-point: (-0.29 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( -2.660 -1.536 1.295) 3.333 3.357 ( 0.529 0.306 -1.450) 1.574 5.494 ( -32.617 -18.831 -13.583) 40.037 8.896 ( -24.320 -14.041 3.440) 28.293 10.373 ( 30.344 17.519 7.155) 35.761 12.473 ( 3.312 1.912 -9.998) 10.704 14.301 ( -42.982 -24.816 3.551) 49.758 15.849 ( -14.600 -8.429 -1.904) 16.966 16.057 ( -4.135 -2.387 4.349) 6.458 18.875 ( 3.779 2.182 1.585) 4.643 20.719 ( 0.685 0.395 -4.176) 4.250 21.164 ( 10.958 6.327 0.782) 12.678 ======================= Grid point 946 (336/891) ======================= q-point: (-0.24 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( -4.028 -2.325 1.354) 4.844 3.359 ( 0.029 0.017 -2.288) 2.288 4.707 ( -34.857 -20.125 -9.679) 41.397 8.289 ( -30.478 -17.596 2.730) 35.298 11.069 ( 29.958 17.296 3.270) 34.746 12.516 ( 2.803 1.618 -9.296) 9.844 13.202 ( -55.208 -31.874 3.514) 63.846 15.517 ( -15.489 -8.942 0.807) 17.903 15.962 ( -5.422 -3.130 4.503) 7.712 18.966 ( 4.293 2.479 1.929) 5.320 20.665 ( -3.939 -2.274 -2.418) 5.151 21.457 ( 14.283 8.246 -2.331) 16.657 ======================= Grid point 947 (337/891) ======================= q-point: (-0.19 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -6.019 -3.475 1.552) 7.122 3.335 ( -1.614 -0.932 -6.610) 6.868 3.897 ( -35.805 -20.672 -0.013) 41.344 7.570 ( -34.096 -19.685 1.608) 39.403 11.561 ( -10.860 -6.270 -12.831) 17.941 12.038 ( -25.270 -14.589 16.387) 33.466 12.542 ( 1.690 0.976 -8.049) 8.282 15.150 ( -17.870 -10.317 1.836) 20.716 15.843 ( -6.258 -3.613 4.394) 8.458 19.094 ( 6.736 3.889 4.868) 9.176 20.543 ( -5.750 -3.320 -7.205) 9.798 21.762 ( 13.211 7.628 -0.742) 15.273 ======================= Grid point 948 (338/891) ======================= q-point: (-0.14 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( -9.207 -5.316 2.001) 10.818 3.019 ( -30.727 -17.740 -12.678) 37.678 3.346 ( -8.950 -5.167 15.150) 18.339 6.796 ( -34.953 -20.180 0.185) 40.360 10.293 ( -68.342 -39.458 -4.522) 79.044 12.387 ( 21.718 12.539 4.379) 25.457 12.547 ( 0.654 0.378 -6.496) 6.540 14.732 ( -19.917 -11.499 2.277) 23.111 15.710 ( -6.630 -3.828 4.017) 8.646 19.305 ( 10.192 5.884 11.560) 16.497 20.368 ( -6.932 -4.002 -15.886) 17.788 22.039 ( 11.432 6.600 1.965) 13.346 ======================= Grid point 949 (339/891) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -32.851 -18.966 10.934) 39.477 2.664 ( -14.495 -8.368 2.881) 16.983 3.210 ( -8.286 -4.784 7.704) 12.285 6.037 ( -32.276 -18.635 -1.614) 37.304 8.707 ( -71.769 -41.436 -3.799) 82.959 12.538 ( 0.050 0.029 -4.707) 4.707 12.813 ( 15.087 8.710 -0.587) 17.431 14.293 ( -19.256 -11.117 1.887) 22.315 15.573 ( -6.521 -3.765 3.344) 8.239 19.593 ( 9.724 5.614 17.529) 20.817 20.168 ( -3.956 -2.284 -22.545) 23.003 22.283 ( 9.622 5.555 4.822) 12.112 ======================= Grid point 954 (340/891) ======================= q-point: ( 0.14 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 0.000 36.340 17.321) 40.257 1.460 ( 0.000 50.907 16.674) 53.568 2.478 ( 0.000 10.302 99.260) 99.794 4.525 ( -0.000 8.805 -12.868) 15.592 4.734 ( -0.000 29.295 -15.479) 33.133 12.562 ( 0.000 -1.557 3.907) 4.206 12.706 ( 0.000 9.329 3.896) 10.110 13.593 ( -0.000 -0.164 -28.947) 28.947 15.232 ( -0.000 4.021 -1.529) 4.302 16.638 ( -0.000 95.275 -72.997) 120.025 22.841 ( 0.000 -8.901 15.051) 17.486 23.880 ( 0.000 -113.194 81.807) 139.661 ======================= Grid point 955 (341/891) ======================= q-point: ( 0.19 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 16.939 31.577 14.081) 38.500 2.065 ( 13.385 23.135 27.585) 38.410 2.963 ( 10.247 16.123 81.246) 83.462 4.661 ( 7.844 14.881 -14.093) 21.946 5.282 ( 27.934 45.691 -14.785) 55.557 12.628 ( 6.909 -1.202 1.205) 7.115 12.772 ( -2.892 7.467 -0.628) 8.032 13.538 ( 1.893 3.744 -23.664) 24.033 15.251 ( -1.450 6.248 -2.593) 6.918 17.530 ( 28.493 55.658 -64.675) 89.958 22.520 ( -24.729 -49.016 44.019) 70.369 23.053 ( -13.177 -27.098 42.209) 51.861 ======================= Grid point 956 (342/891) ======================= q-point: ( 0.24 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 16.356 22.173 11.637) 29.910 2.490 ( 10.651 9.778 30.207) 33.489 3.487 ( 10.452 11.908 66.392) 68.256 5.011 ( 17.090 23.023 -14.096) 31.950 6.432 ( 52.040 55.730 -10.957) 77.033 12.645 ( -2.317 -5.867 -20.167) 21.131 12.795 ( -0.241 6.678 5.967) 8.958 13.659 ( 11.767 8.711 -9.578) 17.495 15.303 ( 0.912 7.246 -3.346) 8.034 18.192 ( 19.391 31.603 -45.298) 58.538 21.708 ( -27.062 -40.976 38.665) 62.501 22.877 ( -6.305 -8.491 22.957) 25.276 ======================= Grid point 957 (343/891) ======================= q-point: ( 0.29 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 10.875 12.876 9.114) 19.161 2.810 ( 9.921 7.004 17.169) 21.030 3.950 ( 11.073 10.650 65.454) 67.233 5.589 ( 24.825 30.421 -12.471) 41.198 7.925 ( 63.208 54.552 -7.940) 83.870 12.378 ( -10.040 -10.893 -28.938) 32.509 12.876 ( -2.492 9.488 6.956) 12.026 14.014 ( 21.100 7.972 -1.071) 22.581 15.398 ( 2.793 7.471 -3.318) 8.639 18.562 ( 8.511 19.359 -29.526) 36.318 21.082 ( -17.794 -27.393 19.242) 37.911 22.745 ( -7.444 -8.122 20.620) 23.379 ======================= Grid point 958 (344/891) ======================= q-point: ( 0.33 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( 7.048 6.710 6.365) 11.628 3.045 ( 7.237 5.221 5.181) 10.319 4.459 ( 14.876 12.195 64.500) 67.307 6.325 ( 28.395 34.452 -10.294) 45.817 9.493 ( 65.486 48.723 -7.024) 81.925 11.965 ( -14.758 -13.429 -28.866) 35.091 12.929 ( -5.150 10.930 6.341) 13.645 14.468 ( 24.402 5.296 2.048) 25.054 15.516 ( 4.043 6.675 -2.872) 8.316 18.696 ( -1.501 11.555 -20.133) 23.262 20.698 ( -6.910 -16.480 4.918) 18.534 22.582 ( -9.125 -8.858 19.511) 23.290 ======================= Grid point 959 (345/891) ======================= q-point: ( 0.38 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 4.848 3.548 4.096) 7.271 3.188 ( 4.328 3.429 -0.075) 5.523 5.039 ( 18.479 13.435 58.155) 62.481 7.116 ( 28.113 35.472 -8.441) 46.042 10.899 ( 45.331 27.306 -17.494) 55.736 11.561 ( -0.976 -0.731 -14.753) 14.803 12.949 ( -7.176 11.071 5.122) 14.153 14.923 ( 23.583 3.459 3.136) 24.041 15.640 ( 5.012 4.662 -2.436) 7.265 18.653 ( -7.007 7.557 -17.527) 20.332 20.540 ( 1.089 -8.992 -1.946) 9.264 22.377 ( -11.031 -9.832 18.586) 23.744 ======================= Grid point 960 (346/891) ======================= q-point: ( 0.43 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( 3.466 1.796 2.627) 4.706 3.266 ( 2.254 2.223 -1.486) 3.497 5.649 ( 20.419 13.505 48.731) 54.535 7.883 ( 25.169 34.565 -6.934) 43.316 10.734 ( -20.589 -17.575 -28.034) 38.970 12.524 ( 55.040 34.710 0.842) 65.077 12.934 ( -8.054 11.349 3.412) 14.328 15.338 ( 20.943 3.682 3.106) 21.490 15.758 ( 6.042 1.875 -2.203) 6.699 18.547 ( -6.956 6.342 -18.206) 20.495 20.509 ( 3.735 -5.756 -3.991) 7.938 22.128 ( -12.905 -10.663 17.859) 24.478 ======================= Grid point 961 (347/891) ======================= q-point: ( 0.48 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( 2.503 0.660 1.518) 3.001 3.306 ( 0.954 1.571 -1.281) 2.241 6.244 ( 20.598 12.479 38.087) 45.063 8.572 ( 20.229 32.250 -5.471) 38.461 10.099 ( -24.437 -18.448 -22.702) 38.117 12.856 ( -10.117 8.582 1.342) 13.334 13.742 ( 47.855 29.011 1.620) 55.985 15.723 ( 18.773 6.549 1.828) 19.966 15.867 ( 7.170 -0.817 -1.721) 7.419 18.451 ( -4.723 4.470 -18.189) 19.317 20.506 ( 3.058 -4.892 -5.220) 7.780 21.846 ( -14.039 -10.808 17.530) 24.924 ======================= Grid point 962 (348/891) ======================= q-point: ( 0.52 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( 1.717 -0.096 0.350) 1.755 3.326 ( 0.249 1.233 -0.307) 1.294 6.774 ( 18.043 9.885 26.030) 33.179 9.132 ( 12.752 26.427 -4.017) 29.616 9.475 ( -22.330 -13.778 -16.175) 30.824 12.752 ( -11.345 7.650 -1.249) 13.740 14.665 ( 32.776 18.343 3.845) 37.756 15.961 ( 7.244 -2.404 -1.670) 7.813 16.131 ( 18.738 11.271 -0.100) 21.867 18.371 ( -1.687 0.273 -15.843) 15.935 20.477 ( 0.960 -4.496 -7.567) 8.854 21.563 ( -13.279 -9.714 17.639) 24.121 ======================= Grid point 963 (349/891) ======================= q-point: ( 0.57 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( 1.060 -0.354 -0.604) 1.271 3.338 ( -0.111 0.831 0.645) 1.057 7.120 ( 6.937 2.672 9.616) 12.154 8.986 ( -10.536 -9.552 -5.434) 15.224 9.554 ( 3.355 25.204 -1.519) 25.472 12.629 ( -10.784 7.528 -4.342) 13.849 15.200 ( 15.255 7.462 6.499) 18.183 16.041 ( 6.257 -3.984 -0.400) 7.428 16.529 ( 12.075 13.466 -4.646) 18.674 18.331 ( 4.874 -4.351 -10.053) 11.990 20.415 ( -0.459 -2.819 -11.127) 11.488 21.330 ( -10.201 -7.638 17.623) 21.748 ======================= Grid point 964 (350/891) ======================= q-point: (-0.38 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( 0.592 -0.441 -0.584) 0.941 3.342 ( -0.418 0.523 0.612) 0.907 7.021 ( -14.722 -9.366 -7.592) 19.029 8.974 ( 12.145 3.294 7.232) 14.513 9.736 ( -7.737 19.010 1.104) 20.554 12.529 ( -8.201 8.880 -7.491) 14.220 15.388 ( 1.467 -0.965 8.125) 8.313 16.088 ( 4.313 -4.818 0.749) 6.510 16.656 ( -6.858 5.176 -8.760) 12.270 18.431 ( 13.858 -4.062 -2.399) 14.639 20.378 ( 2.466 1.170 -14.684) 14.935 21.174 ( -6.619 -5.845 16.827) 19.003 ======================= Grid point 965 (351/891) ======================= q-point: (-0.33 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.314 ( -0.558 -0.796 0.699) 1.197 3.342 ( -0.026 0.610 -0.782) 0.992 6.506 ( -26.581 -14.866 -12.373) 32.873 9.391 ( 23.615 8.470 8.825) 26.596 9.667 ( -17.968 12.869 3.133) 22.322 12.492 ( -4.894 11.273 -9.617) 15.605 15.265 ( -13.666 -10.078 7.603) 18.605 16.092 ( 1.575 -5.491 1.071) 5.812 16.402 ( -17.746 -4.457 -6.688) 19.481 18.646 ( 12.849 -0.550 0.398) 12.867 20.459 ( 8.958 4.524 -16.215) 19.069 21.085 ( -3.440 -4.355 15.457) 16.423 ======================= Grid point 966 (352/891) ======================= q-point: (-0.29 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( -1.979 -1.048 1.371) 2.626 3.348 ( 0.387 0.575 -1.784) 1.914 5.830 ( -31.543 -16.308 -10.689) 37.083 9.308 ( -28.985 3.872 3.170) 29.414 10.023 ( 30.112 12.500 6.366) 33.219 12.520 ( -3.111 13.210 -10.049) 16.887 14.738 ( -33.672 -20.723 4.391) 39.781 15.977 ( -10.759 -9.364 -3.286) 14.637 16.106 ( -6.006 -4.547 4.010) 8.534 18.823 ( 7.043 3.066 -0.779) 7.721 20.619 ( 8.628 1.486 -12.891) 15.583 21.090 ( 3.646 -0.114 11.543) 12.106 ======================= Grid point 967 (353/891) ======================= q-point: (-0.24 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( -3.380 -1.334 1.582) 3.963 3.352 ( 0.146 0.394 -2.904) 2.934 5.091 ( -34.595 -16.647 -5.810) 38.829 8.772 ( -36.865 -0.882 2.369) 36.951 10.687 ( 32.767 11.835 2.522) 34.931 12.572 ( -3.389 13.721 -9.228) 16.879 13.803 ( -49.386 -27.829 2.838) 56.758 15.656 ( -13.300 -11.921 0.772) 17.878 16.014 ( -3.522 -4.361 4.081) 6.934 18.951 ( 3.714 6.579 -1.643) 7.731 20.646 ( 0.619 -5.192 -6.076) 8.016 21.290 ( 13.091 5.078 4.380) 14.709 ======================= Grid point 968 (354/891) ======================= q-point: (-0.19 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -5.202 -1.748 1.813) 5.780 3.336 ( -1.175 -0.113 -6.021) 6.136 4.330 ( -36.331 -16.285 3.519) 39.968 8.092 ( -41.462 -4.418 1.105) 41.711 11.323 ( 28.808 9.208 -4.425) 30.565 12.517 ( -31.923 -15.179 -2.332) 35.425 12.717 ( -29.445 -1.723 0.348) 29.498 15.303 ( -14.410 -14.494 2.509) 20.592 15.914 ( -4.866 -3.997 3.654) 7.280 19.085 ( 3.681 9.738 -0.147) 10.412 20.540 ( -2.909 -8.139 -6.736) 10.958 21.593 ( 14.754 5.599 3.270) 16.116 ======================= Grid point 969 (355/891) ======================= q-point: (-0.14 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( -7.950 -2.469 2.170) 8.603 3.225 ( -10.847 -3.420 -16.156) 19.757 3.638 ( -29.371 -12.518 23.376) 39.570 7.324 ( -43.390 -6.651 -0.439) 43.899 11.052 ( -61.192 -28.198 -9.277) 68.012 12.060 ( 22.115 1.078 4.831) 22.662 12.678 ( -6.155 15.189 -4.331) 16.951 14.905 ( -16.164 -16.208 3.104) 23.100 15.796 ( -6.077 -3.446 3.162) 7.669 19.279 ( 6.421 12.423 4.604) 14.722 20.359 ( -4.936 -9.870 -12.420) 16.615 21.894 ( 13.565 4.867 4.989) 15.251 ======================= Grid point 970 (356/891) ======================= q-point: (-0.10 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( -31.451 -10.912 4.376) 33.576 2.851 ( -12.993 -3.034 3.108) 13.700 3.348 ( -9.931 -4.092 18.037) 20.993 6.530 ( -42.168 -7.453 -2.314) 42.884 9.579 ( -74.012 -30.278 -5.031) 80.124 12.449 ( 16.642 1.791 -5.142) 17.510 12.740 ( -0.486 13.679 -1.457) 13.765 14.475 ( -17.215 -15.856 2.960) 23.591 15.664 ( -6.834 -2.985 2.502) 7.866 19.565 ( 9.019 13.004 11.050) 19.302 20.125 ( -4.874 -9.735 -19.080) 21.968 22.167 ( 11.807 3.933 7.401) 14.479 ======================= Grid point 976 (357/891) ======================= q-point: ( 0.19 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 0.000 33.333 14.681) 36.423 2.263 ( 0.000 21.185 24.765) 32.590 3.277 ( 0.000 16.464 81.412) 83.060 4.714 ( -0.000 19.491 -15.188) 24.710 5.534 ( -0.000 62.777 -14.814) 64.501 12.553 ( 0.000 -1.645 3.683) 4.033 12.833 ( -0.000 1.584 -14.545) 14.631 13.548 ( -0.000 12.742 -14.567) 19.354 15.326 ( -0.000 6.365 -1.196) 6.476 17.715 ( -0.000 59.805 -58.207) 83.455 22.290 ( 0.000 -64.941 47.022) 80.177 23.012 ( 0.000 -18.059 30.108) 35.109 ======================= Grid point 977 (358/891) ======================= q-point: ( 0.24 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 9.029 25.929 13.278) 30.499 2.536 ( 4.955 11.275 23.445) 26.483 3.687 ( 4.488 13.505 74.160) 75.513 4.981 ( 10.661 27.133 -15.196) 32.875 6.371 ( 24.686 72.120 -12.039) 77.173 12.559 ( -0.190 -4.810 -10.480) 11.533 12.787 ( 4.724 -1.393 -11.697) 12.691 13.677 ( -0.260 18.939 -4.485) 19.464 15.378 ( -0.936 7.895 -1.625) 8.115 18.185 ( 10.050 44.225 -45.183) 64.019 21.678 ( -13.009 -56.541 38.124) 69.423 22.925 ( -3.046 -10.803 22.841) 25.450 ======================= Grid point 978 (359/891) ======================= q-point: ( 0.29 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 7.373 15.585 10.496) 20.185 2.781 ( 7.333 7.445 16.038) 19.142 4.104 ( 6.718 12.218 70.088) 71.461 5.508 ( 20.003 35.941 -13.408) 43.263 7.604 ( 42.127 69.294 -9.040) 81.597 12.336 ( -7.870 -10.813 -29.149) 32.071 12.938 ( 9.144 4.441 3.577) 10.776 13.877 ( 4.837 16.609 -1.101) 17.334 15.447 ( 0.252 8.600 -1.917) 8.814 18.590 ( 7.049 30.948 -31.415) 44.658 21.060 ( -12.557 -42.335 22.004) 49.337 22.819 ( -5.009 -10.157 20.784) 23.669 ======================= Grid point 979 (360/891) ======================= q-point: ( 0.33 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 5.205 6.866 7.185) 11.219 3.006 ( 6.401 6.990 7.400) 12.025 4.557 ( 10.141 12.923 67.016) 69.000 6.235 ( 24.653 42.310 -10.993) 50.188 9.002 ( 51.455 60.037 -7.639) 79.438 11.968 ( -11.504 -13.299 -30.555) 35.254 13.127 ( 1.655 11.553 6.017) 13.131 14.163 ( 15.059 8.673 -0.328) 17.381 15.535 ( 1.376 7.526 -1.862) 7.874 18.825 ( -0.940 21.565 -20.701) 29.908 20.598 ( -5.428 -29.275 7.378) 30.674 22.676 ( -6.902 -10.690 19.606) 23.373 ======================= Grid point 980 (361/891) ======================= q-point: ( 0.38 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( 4.469 3.437 3.513) 6.643 3.163 ( 3.895 4.873 2.926) 6.891 5.068 ( 13.759 13.549 61.108) 64.087 7.053 ( 24.820 45.522 -8.960) 52.617 10.366 ( 49.803 42.790 -11.485) 66.658 11.570 ( -9.675 -8.213 -23.226) 26.467 13.239 ( -6.636 16.863 5.419) 18.915 14.537 ( 23.025 1.792 0.518) 23.100 15.621 ( 2.176 4.862 -2.099) 5.725 18.860 ( -9.259 15.024 -15.218) 23.304 20.364 ( 3.499 -18.224 -1.725) 18.637 22.491 ( -8.805 -11.493 18.565) 23.543 ======================= Grid point 981 (362/891) ======================= q-point: ( 0.43 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 3.671 1.652 1.345) 4.244 3.256 ( 2.083 3.274 0.994) 4.005 5.612 ( 16.364 13.232 52.360) 56.431 7.871 ( 22.011 46.407 -7.387) 51.891 10.751 ( -9.987 -15.209 -29.993) 35.080 12.017 ( 46.112 38.586 0.424) 60.128 13.268 ( -11.720 18.758 3.591) 22.407 14.955 ( 25.815 -0.899 1.552) 25.877 15.689 ( 3.165 1.725 -2.984) 4.680 18.757 ( -12.457 11.729 -14.644) 22.521 20.315 ( 7.792 -11.942 -4.704) 15.015 22.264 ( -10.683 -12.178 17.629) 23.942 ======================= Grid point 982 (363/891) ======================= q-point: ( 0.48 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( 2.900 0.581 0.134) 2.961 3.308 ( 0.908 2.220 0.511) 2.453 6.154 ( 17.569 11.927 41.951) 47.019 8.627 ( 17.178 45.290 -6.031) 48.812 10.220 ( -19.781 -19.246 -24.803) 37.107 13.120 ( 17.127 24.691 1.037) 30.067 13.314 ( 16.873 27.055 1.911) 31.943 15.388 ( 25.796 0.050 2.242) 25.894 15.748 ( 4.585 -0.631 -4.147) 6.215 18.608 ( -11.873 8.511 -15.030) 20.960 20.333 ( 7.642 -9.361 -5.494) 13.275 22.002 ( -12.159 -12.289 16.937) 24.202 ======================= Grid point 983 (364/891) ======================= q-point: ( 0.52 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( 2.175 -0.015 -0.621) 2.262 3.336 ( 0.233 1.473 0.707) 1.650 6.652 ( 16.867 9.520 30.248) 35.918 9.246 ( 7.975 33.470 -6.031) 34.932 9.661 ( -18.250 -7.799 -17.071) 26.178 13.104 ( -16.495 16.545 -1.245) 23.396 14.268 ( 39.254 23.669 3.734) 45.990 15.797 ( 10.697 -3.977 -3.472) 11.929 15.858 ( 21.286 6.390 0.461) 22.229 18.435 ( -10.096 2.014 -14.155) 17.503 20.345 ( 5.496 -7.582 -6.879) 11.620 21.725 ( -12.462 -11.421 16.617) 23.704 ======================= Grid point 984 (365/891) ======================= q-point: ( 0.57 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( 1.528 -0.241 -1.090) 1.892 3.351 ( -0.120 0.885 1.055) 1.382 7.036 ( 11.123 4.560 15.839) 19.885 9.057 ( -13.754 -13.860 -9.442) 21.689 9.848 ( 0.573 41.678 -2.663) 41.767 12.966 ( -17.120 15.542 -3.979) 23.462 14.986 ( 23.569 11.742 6.799) 27.196 15.871 ( 7.349 -4.486 -4.765) 9.841 16.364 ( 23.767 12.672 -0.286) 26.935 18.233 ( -5.613 -7.910 -11.296) 14.889 20.331 ( 2.881 -4.816 -9.574) 11.097 21.472 ( -10.871 -9.714 16.610) 22.101 ======================= Grid point 985 (366/891) ======================= q-point: ( 0.62 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( 1.033 -0.270 -1.289) 1.673 3.356 ( -0.379 0.471 1.229) 1.370 7.111 ( -6.116 -5.365 -1.638) 8.299 8.854 ( 3.547 -3.709 3.148) 6.021 10.162 ( -9.528 37.436 0.126) 38.630 12.827 ( -15.142 15.962 -6.897) 23.058 15.333 ( 8.277 1.732 8.709) 12.139 15.934 ( 7.090 -5.088 -3.700) 9.479 16.765 ( 4.734 12.645 -4.001) 14.083 18.105 ( 10.068 -14.738 -5.480) 18.671 20.309 ( 2.017 -0.553 -12.995) 13.162 21.275 ( -7.862 -8.087 16.613) 20.080 ======================= Grid point 986 (367/891) ======================= q-point: (-0.33 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.305 ( 0.572 -0.358 -1.136) 1.321 3.355 ( -0.604 0.355 0.980) 1.205 6.752 ( -21.846 -12.229 -9.575) 26.805 9.098 ( 20.492 4.236 8.030) 22.414 10.229 ( -22.184 30.130 2.206) 37.481 12.748 ( -11.146 18.465 -9.148) 23.428 15.358 ( -5.143 -7.043 7.900) 11.767 15.983 ( 5.053 -4.897 -1.818) 7.267 16.659 ( -18.457 -2.625 -5.027) 19.309 18.304 ( 23.810 -6.631 -1.082) 24.739 20.336 ( 4.930 3.322 -15.751) 16.836 21.144 ( -4.735 -7.001 16.493) 18.532 ======================= Grid point 987 (368/891) ======================= q-point: (-0.29 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( -0.426 -0.672 -0.276) 0.842 3.351 ( -0.445 0.570 -0.186) 0.746 6.166 ( -28.884 -13.586 -8.308) 32.983 9.574 ( 24.059 6.395 5.815) 25.565 10.032 ( -29.219 21.907 2.631) 36.614 12.758 ( -8.017 21.589 -9.643) 24.966 15.042 ( -22.408 -16.338 4.934) 28.167 15.979 ( -0.224 -5.765 -1.895) 6.073 16.240 ( -17.567 -11.366 0.750) 20.937 18.644 ( 18.095 1.736 -1.616) 18.250 20.442 ( 8.484 2.704 -16.217) 18.501 21.082 ( -0.489 -4.911 15.954) 16.700 ======================= Grid point 988 (369/891) ======================= q-point: (-0.24 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.274 ( -1.974 -0.902 0.715) 2.285 3.349 ( -0.199 0.673 -1.950) 2.073 5.501 ( -32.825 -13.151 -3.156) 35.502 9.492 ( -39.367 12.447 2.292) 41.351 10.248 ( 29.944 8.680 1.408) 31.208 12.822 ( -7.662 23.032 -8.634) 25.763 14.318 ( -40.777 -23.795 2.319) 47.269 15.745 ( -12.665 -14.710 0.349) 19.414 16.022 ( -2.354 -5.640 3.294) 6.943 18.915 ( 9.790 8.076 -3.144) 13.075 20.519 ( 4.932 -4.495 -12.119) 13.835 21.160 ( 8.232 0.355 12.161) 14.690 ======================= Grid point 989 (370/891) ======================= q-point: (-0.19 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.221 ( -3.649 -1.026 1.188) 3.972 3.340 ( -0.868 0.523 -4.298) 4.416 4.809 ( -35.349 -11.973 5.519) 37.728 8.858 ( -47.043 7.719 0.691) 47.677 10.861 ( 33.045 6.739 -3.304) 33.887 12.858 ( -13.620 17.018 -6.980) 22.887 13.312 ( -48.242 -20.964 2.653) 52.667 15.378 ( -12.687 -18.033 3.209) 22.282 15.945 ( -2.734 -4.208 1.896) 5.364 19.127 ( 5.067 13.042 -3.226) 14.358 20.450 ( -0.179 -10.566 -8.665) 13.666 21.406 ( 14.261 3.188 8.502) 16.906 ======================= Grid point 990 (371/891) ======================= q-point: (-0.14 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -5.800 -1.250 1.374) 6.091 3.290 ( -4.073 0.122 -8.942) 9.827 4.140 ( -34.971 -9.877 19.793) 41.380 8.096 ( -49.939 3.489 -0.961) 50.070 11.381 ( 15.791 2.458 -14.264) 21.421 12.065 ( -45.883 -22.681 7.443) 51.722 12.989 ( -11.020 20.390 -2.935) 23.363 14.989 ( -13.445 -19.204 3.778) 23.745 15.855 ( -4.168 -3.346 1.134) 5.464 19.339 ( 4.502 16.420 -0.771) 17.043 20.278 ( -2.972 -13.610 -10.518) 17.456 21.711 ( 15.031 3.177 8.528) 17.571 ======================= Grid point 991 (372/891) ======================= q-point: (-0.10 0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( -10.322 -2.047 0.362) 10.529 3.100 ( -16.402 -0.889 -7.625) 18.109 3.633 ( -23.123 -5.685 33.718) 41.278 7.268 ( -49.950 0.355 -2.785) 50.029 10.535 ( -69.156 -18.383 -7.319) 71.931 12.075 ( 25.158 0.332 -3.893) 25.459 12.994 ( -10.044 17.052 -1.031) 19.817 14.586 ( -14.456 -17.372 3.330) 22.844 15.747 ( -5.611 -2.655 0.573) 6.233 19.603 ( 6.650 17.054 3.643) 18.664 20.038 ( -4.395 -14.202 -14.780) 20.963 22.007 ( 13.800 2.467 10.117) 17.289 ======================= Grid point 998 (373/891) ======================= q-point: ( 0.24 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 0.000 22.959 13.246) 26.506 2.656 ( 0.000 8.852 18.404) 20.423 3.993 ( 0.000 13.111 74.780) 75.920 5.124 ( -0.000 31.975 -15.545) 35.554 6.893 ( -0.000 81.595 -11.073) 82.343 12.540 ( 0.000 -1.840 3.554) 4.002 12.593 ( -0.000 -9.027 -33.483) 34.679 13.909 ( -0.000 24.544 1.864) 24.615 15.459 ( -0.000 7.921 -1.066) 7.992 18.417 ( -0.000 42.914 -39.777) 58.514 21.317 ( 0.000 -57.309 31.809) 65.545 22.906 ( 0.000 -11.030 21.478) 24.144 ======================= Grid point 999 (374/891) ======================= q-point: ( 0.29 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 3.367 14.428 11.075) 18.497 2.802 ( 3.772 7.681 13.105) 15.652 4.348 ( 2.742 12.849 71.998) 73.187 5.537 ( 13.709 38.288 -13.927) 42.987 7.812 ( 17.728 80.547 -9.367) 83.005 12.286 ( -8.374 -10.321 -29.818) 32.646 12.709 ( 15.529 -2.126 -1.710) 15.767 14.118 ( -4.644 24.812 3.302) 25.458 15.530 ( -0.507 8.442 -1.192) 8.541 18.734 ( 3.703 34.494 -30.993) 46.520 20.821 ( -5.196 -48.627 20.942) 53.199 22.836 ( -2.504 -11.328 20.354) 23.428 ======================= Grid point 1000 (375/891) ======================= q-point: ( 0.33 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( 3.085 4.962 7.142) 9.228 3.012 ( 4.831 9.067 8.159) 13.120 4.742 ( 5.805 13.280 67.869) 69.399 6.218 ( 23.393 43.815 -11.294) 50.937 8.932 ( 29.919 71.255 -8.477) 77.745 11.936 ( -9.965 -11.768 -31.050) 34.668 13.003 ( 19.253 0.797 2.355) 19.413 14.258 ( -5.827 21.621 2.001) 22.482 15.597 ( -0.431 7.473 -1.336) 7.604 19.000 ( 1.263 26.036 -21.951) 34.078 20.367 ( -3.432 -37.118 9.057) 38.361 22.719 ( -4.732 -11.922 19.353) 23.218 ======================= Grid point 1001 (376/891) ======================= q-point: ( 0.38 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( 3.459 3.037 3.213) 5.614 3.167 ( 3.157 5.775 4.794) 8.142 5.181 ( 9.185 13.449 62.023) 64.126 7.060 ( 26.459 47.869 -9.139) 55.453 10.073 ( 34.715 51.576 -11.669) 63.256 11.588 ( -8.901 -5.533 -24.555) 26.698 13.345 ( 14.620 6.969 4.818) 16.898 14.377 ( 0.110 14.288 -0.430) 14.295 15.646 ( -0.287 4.667 -1.907) 5.050 19.129 ( -6.517 19.318 -14.649) 25.105 20.075 ( 4.168 -25.803 -0.807) 26.150 22.557 ( -6.780 -12.605 18.314) 23.243 ======================= Grid point 1002 (377/891) ======================= q-point: ( 0.43 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( 3.291 1.726 0.873) 3.817 3.263 ( 1.775 3.767 2.607) 4.913 5.651 ( 12.018 12.792 53.992) 56.774 7.944 ( 24.427 50.601 -7.612) 56.702 10.621 ( 1.623 -6.278 -28.709) 29.432 11.779 ( 26.403 38.873 -2.323) 47.049 13.605 ( -0.092 16.723 5.156) 17.500 14.574 ( 14.457 3.311 -1.632) 14.921 15.668 ( 0.349 1.648 -3.222) 3.636 19.076 ( -13.902 14.189 -11.457) 22.932 19.997 ( 11.181 -17.168 -5.497) 21.212 22.353 ( -8.684 -13.122 17.250) 23.348 ======================= Grid point 1003 (378/891) ======================= q-point: ( 0.48 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( 2.881 0.799 -0.318) 3.007 3.320 ( 0.803 2.484 1.500) 3.010 6.124 ( 13.830 11.259 44.197) 47.659 8.787 ( 19.036 51.169 -6.539) 54.985 10.249 ( -13.964 -18.365 -25.958) 34.729 12.795 ( 40.692 40.124 1.402) 57.164 13.689 ( -12.853 22.340 2.687) 25.913 14.917 ( 26.158 -3.240 -0.402) 26.361 15.680 ( 1.771 -0.003 -4.790) 5.107 18.903 ( -16.290 9.656 -11.136) 21.969 20.041 ( 12.270 -12.601 -6.286) 18.678 22.113 ( -10.284 -13.141 16.250) 23.292 ======================= Grid point 1004 (379/891) ======================= q-point: ( 0.52 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( 2.388 0.213 -0.891) 2.558 3.350 ( 0.175 1.580 1.110) 1.939 6.569 ( 14.273 8.902 33.062) 37.095 9.422 ( 1.842 22.172 -10.633) 24.659 9.848 ( -6.935 11.568 -14.437) 19.757 13.577 ( -12.809 24.209 -0.821) 27.401 13.884 ( 33.207 28.017 3.550) 43.592 15.360 ( 29.976 -3.762 0.177) 30.212 15.712 ( 4.504 0.304 -5.451) 7.077 18.654 ( -16.841 2.210 -10.551) 19.996 20.110 ( 10.417 -9.136 -6.901) 15.479 21.853 ( -11.147 -12.406 15.439) 22.727 ======================= Grid point 1005 (380/891) ======================= q-point: ( 0.57 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.249 ( 1.883 -0.079 -1.188) 2.227 3.365 ( -0.174 0.913 1.097) 1.438 6.939 ( 11.801 5.203 20.186) 23.954 9.122 ( -14.543 -15.536 -12.105) 24.483 10.280 ( 2.629 52.273 -3.495) 52.456 13.461 ( -21.443 21.318 -3.499) 30.439 14.692 ( 29.531 17.113 6.512) 34.747 15.682 ( 9.977 -4.374 -6.818) 12.851 15.981 ( 29.596 5.770 0.378) 30.155 18.317 ( -16.494 -8.624 -9.044) 20.693 20.169 ( 7.474 -5.213 -8.504) 12.464 21.597 ( -10.715 -11.038 14.963) 21.460 ======================= Grid point 1006 (381/891) ======================= q-point: ( 0.62 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( 1.406 -0.154 -1.376) 1.973 3.370 ( -0.345 0.443 1.214) 1.337 7.120 ( 1.225 -1.643 4.653) 5.084 8.802 ( -4.185 -8.983 -1.424) 10.012 10.742 ( -7.542 50.958 -0.854) 51.520 13.289 ( -20.799 20.392 -6.131) 29.766 15.196 ( 15.050 5.274 9.453) 18.538 15.751 ( 7.261 -3.973 -7.520) 11.183 16.604 ( 29.945 12.035 -0.382) 32.275 17.903 ( -11.147 -21.375 -6.571) 24.986 20.213 ( 4.741 -0.884 -11.020) 12.029 21.374 ( -8.827 -9.672 14.958) 19.880 ======================= Grid point 1007 (382/891) ======================= q-point: (-0.33 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( 0.967 -0.145 -1.495) 1.787 3.370 ( -0.464 0.194 1.260) 1.356 6.940 ( -15.206 -8.747 -6.055) 18.558 8.849 ( 13.444 -0.429 6.152) 14.791 10.971 ( -21.485 44.841 1.518) 49.746 13.154 ( -16.507 21.957 -8.453) 28.741 15.357 ( 1.079 -4.337 8.265) 9.396 15.825 ( 7.686 -3.286 -4.814) 9.646 16.914 ( -12.244 1.621 -2.691) 12.640 17.741 ( 26.909 -17.546 -2.188) 32.198 20.257 ( 3.740 2.980 -13.861) 14.662 21.202 ( -6.054 -8.849 15.505) 18.851 ======================= Grid point 1008 (383/891) ======================= q-point: (-0.29 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( 0.443 -0.213 -1.457) 1.537 3.366 ( -0.580 0.202 0.979) 1.156 6.480 ( -24.761 -10.502 -6.180) 27.597 9.208 ( 24.201 3.034 5.233) 24.945 10.881 ( -35.579 34.755 2.271) 49.789 13.129 ( -11.355 26.066 -9.101) 29.853 15.206 ( -12.288 -12.033 4.710) 17.832 15.890 ( 4.319 -3.777 -2.171) 6.135 16.448 ( -23.354 -17.918 -0.087) 29.436 18.221 ( 32.478 -0.368 -1.682) 32.524 20.321 ( 4.575 4.183 -16.137) 17.287 21.092 ( -2.519 -7.870 16.510) 18.463 ======================= Grid point 1009 (384/891) ======================= q-point: (-0.24 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( -0.478 -0.424 -1.063) 1.240 3.360 ( -0.616 0.414 -0.005) 0.742 5.911 ( -29.810 -9.588 -1.293) 31.340 9.697 ( 26.924 3.884 1.982) 27.275 10.500 ( -42.292 24.249 0.835) 48.758 13.202 ( -9.819 28.895 -7.850) 31.511 14.713 ( -30.140 -18.755 1.766) 35.543 15.791 ( -10.115 -15.979 -0.842) 18.930 16.017 ( -5.310 -9.577 3.079) 11.375 18.712 ( 22.884 6.451 -2.747) 23.934 20.373 ( 3.676 -0.335 -15.941) 16.363 21.082 ( 3.798 -4.408 16.353) 17.357 ======================= Grid point 1010 (385/891) ======================= q-point: (-0.19 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( -1.886 -0.628 -0.494) 2.048 3.351 ( -0.843 0.602 -1.799) 2.076 5.305 ( -33.068 -7.764 6.648) 34.612 9.760 ( -42.517 12.742 0.668) 44.391 10.384 ( 24.507 6.396 -3.732) 25.601 13.278 ( -12.983 26.899 -5.988) 30.462 13.890 ( -43.352 -19.785 1.169) 47.668 15.400 ( -11.697 -21.697 3.463) 24.891 15.940 ( -1.113 -3.734 0.106) 3.897 19.096 ( 13.772 11.865 -3.585) 18.528 20.322 ( -0.147 -8.010 -12.547) 14.886 21.236 ( 11.470 -0.065 13.571) 17.769 ======================= Grid point 1011 (386/891) ======================= q-point: (-0.14 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( -3.652 -0.757 -0.221) 3.736 3.327 ( -2.126 0.741 -4.329) 4.879 4.705 ( -34.585 -5.392 18.027) 39.372 9.022 ( -53.439 7.761 -1.420) 54.018 10.924 ( 31.999 3.532 -8.739) 33.359 12.775 ( -53.663 -15.163 0.678) 55.768 13.400 ( -14.114 21.101 -1.615) 25.437 15.013 ( -11.287 -20.547 3.774) 23.745 15.879 ( -2.357 -2.744 -1.105) 3.782 19.399 ( 8.192 15.676 -3.208) 17.976 20.158 ( -2.909 -12.879 -11.176) 17.299 21.508 ( 15.080 1.291 12.249) 19.471 ======================= Grid point 1012 (387/891) ======================= q-point: (-0.10 0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( -6.102 -0.789 -0.338) 6.162 3.256 ( -6.068 1.178 -6.777) 9.173 4.170 ( -32.345 -2.686 32.777) 46.127 8.156 ( -54.457 2.411 -3.191) 54.604 11.299 ( -10.175 1.435 -19.679) 22.200 11.799 ( -23.572 -10.086 8.032) 26.868 13.358 ( -13.672 15.584 0.598) 20.740 14.656 ( -11.794 -14.532 2.561) 18.890 15.801 ( -3.800 -2.023 -1.651) 4.611 19.662 ( 6.193 13.225 -2.538) 14.822 19.934 ( -4.063 -11.168 -11.372) 16.449 21.812 ( 15.283 1.080 12.837) 19.988 ======================= Grid point 1020 (388/891) ======================= q-point: ( 0.29 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 0.000 4.914 9.471) 10.670 2.906 ( 0.000 13.066 10.351) 16.670 4.654 ( 0.000 12.959 70.892) 72.067 5.758 ( -0.000 41.297 -13.445) 43.430 8.444 ( -0.000 82.416 -9.166) 82.924 12.190 ( -0.000 -10.783 -36.476) 38.036 12.520 ( 0.000 -2.387 3.587) 4.309 14.425 ( -0.000 25.639 4.973) 26.116 15.615 ( -0.000 8.702 -1.106) 8.772 18.934 ( -0.000 29.254 -27.729) 40.307 20.456 ( 0.000 -44.275 15.906) 47.045 22.800 ( 0.000 -12.093 19.675) 23.095 ======================= Grid point 1021 (389/891) ======================= q-point: ( 0.33 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( 1.332 3.870 5.921) 7.198 3.063 ( 2.357 8.958 8.131) 12.325 4.994 ( 2.363 13.119 66.968) 68.282 6.270 ( 15.644 44.024 -11.373) 48.085 9.286 ( 11.257 74.724 -9.715) 76.189 11.907 ( -8.505 -8.463 -31.424) 33.637 12.667 ( 17.048 -2.561 1.524) 17.306 14.623 ( -6.790 24.444 4.341) 25.739 15.684 ( -1.328 8.070 -1.265) 8.276 19.124 ( 3.296 18.321 -22.506) 29.207 20.095 ( -2.601 -31.655 8.539) 32.890 22.713 ( -2.447 -12.751 18.835) 22.876 ======================= Grid point 1022 (390/891) ======================= q-point: ( 0.38 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( 2.105 2.851 2.963) 4.619 3.193 ( 2.244 5.816 5.485) 8.304 5.364 ( 5.176 12.969 61.147) 62.721 7.037 ( 26.268 46.083 -9.139) 53.825 10.124 ( 15.862 51.149 -14.924) 55.593 11.646 ( -7.374 4.396 -21.905) 23.528 13.006 ( 24.430 -1.521 2.191) 24.575 14.705 ( -11.398 22.849 2.236) 25.632 15.711 ( -2.596 5.166 -2.009) 6.121 19.265 ( 5.408 7.173 -16.891) 19.131 19.821 ( -3.712 -16.717 1.374) 17.179 22.579 ( -4.729 -13.300 17.823) 22.736 ======================= Grid point 1023 (391/891) ======================= q-point: ( 0.43 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( 2.413 1.902 0.955) 3.218 3.282 ( 1.425 3.845 3.335) 5.286 5.757 ( 7.895 12.060 53.681) 55.583 7.948 ( 29.787 48.245 -7.567) 57.202 10.474 ( 1.190 -1.106 -27.866) 27.913 11.855 ( 11.816 43.729 -3.697) 45.447 13.442 ( 26.177 0.917 3.780) 26.464 14.709 ( -12.532 19.886 -0.661) 23.514 15.692 ( -2.418 1.824 -3.530) 4.651 19.333 ( -0.265 3.896 -12.009) 12.628 19.663 ( 1.569 -10.103 -3.863) 10.930 22.401 ( -6.780 -13.593 16.654) 22.541 ======================= Grid point 1024 (392/891) ======================= q-point: ( 0.48 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 2.413 1.100 -0.183) 2.658 3.337 ( 0.650 2.563 1.957) 3.289 6.156 ( 9.962 10.364 44.637) 46.895 8.886 ( 26.567 49.911 -6.688) 56.935 10.193 ( -9.064 -16.929 -26.219) 32.499 12.658 ( 26.053 47.763 1.211) 54.420 13.883 ( 18.237 7.535 5.326) 20.439 14.694 ( -5.285 11.887 -3.743) 13.537 15.660 ( -0.816 0.417 -5.133) 5.214 19.221 ( -13.365 3.584 -8.570) 16.276 19.679 ( 12.345 -9.577 -6.704) 17.002 22.186 ( -8.518 -13.417 15.376) 22.113 ======================= Grid point 1025 (393/891) ======================= q-point: ( 0.52 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 2.239 0.506 -0.738) 2.411 3.367 ( 0.077 1.641 1.238) 2.057 6.534 ( 11.064 8.022 34.285) 36.908 9.532 ( -3.058 6.193 -15.126) 16.628 9.993 ( 10.334 28.505 -10.960) 32.240 13.564 ( 30.392 38.024 2.653) 48.750 14.132 ( -8.173 20.721 3.138) 22.495 14.836 ( 20.731 -3.402 -3.232) 21.255 15.652 ( 1.360 0.695 -6.165) 6.351 18.935 ( -18.068 -3.253 -7.231) 19.731 19.805 ( 13.243 -6.147 -7.132) 16.248 21.948 ( -9.735 -12.662 14.097) 21.304 ======================= Grid point 1026 (394/891) ======================= q-point: ( 0.57 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( 1.972 0.144 -0.995) 2.214 3.380 ( -0.273 0.945 0.968) 1.380 6.862 ( 10.453 4.996 22.713) 25.497 9.174 ( -14.105 -15.806 -13.677) 25.216 10.687 ( 11.876 55.547 -4.080) 56.948 14.050 ( -21.795 25.262 -2.430) 33.453 14.409 ( 28.074 23.454 5.975) 37.067 15.251 ( 32.069 -6.512 -2.253) 32.801 15.701 ( 6.995 1.504 -5.658) 9.122 18.518 ( -20.399 -12.444 -5.947) 24.624 19.947 ( 11.000 -2.608 -7.689) 13.672 21.701 ( -10.098 -11.492 13.023) 20.091 ======================= Grid point 1027 (395/891) ======================= q-point: ( 0.62 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( 1.649 -0.005 -1.151) 2.012 3.384 ( -0.421 0.433 0.953) 1.128 7.077 ( 5.244 0.582 9.639) 10.988 8.805 ( -8.952 -11.657 -5.093) 15.556 11.339 ( 0.589 57.801 -1.823) 57.833 13.867 ( -24.823 22.716 -5.117) 34.035 15.001 ( 19.323 10.093 9.481) 23.773 15.562 ( 10.610 -3.542 -8.637) 14.133 16.070 ( 36.820 3.038 -0.786) 36.954 17.982 ( -21.960 -21.642 -4.394) 31.144 20.074 ( 8.050 0.594 -8.952) 12.054 21.468 ( -9.326 -10.355 12.480) 18.708 ======================= Grid point 1028 (396/891) ======================= q-point: ( 0.67 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( 1.276 -0.002 -1.314) 1.832 3.381 ( -0.431 0.099 1.029) 1.120 7.054 ( -7.552 -4.918 -1.746) 9.180 8.683 ( 4.970 -4.498 3.202) 7.429 11.776 ( -14.817 55.271 0.762) 57.227 13.665 ( -21.729 22.013 -7.474) 31.821 15.291 ( 6.522 -1.272 10.047) 12.045 15.645 ( 8.200 -2.054 -8.437) 11.943 16.800 ( 41.028 6.871 -0.655) 41.604 17.352 ( -20.701 -30.966 -2.562) 37.336 20.178 ( 5.442 3.543 -11.001) 12.775 21.265 ( -7.430 -9.729 12.868) 17.761 ======================= Grid point 1029 (397/891) ======================= q-point: (-0.29 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( 0.830 0.045 -1.501) 1.716 3.378 ( -0.409 -0.050 1.028) 1.107 6.750 ( -19.137 -7.058 -4.056) 20.796 8.878 ( 18.140 -0.109 4.289) 18.641 11.863 ( -33.977 44.741 2.235) 56.225 13.571 ( -13.774 26.120 -8.541) 30.740 15.264 ( -5.465 -8.444 4.557) 11.042 15.752 ( 7.576 -2.460 -3.360) 8.645 16.645 ( -25.022 -27.906 0.214) 37.482 17.573 ( 42.862 1.210 -1.368) 42.901 20.263 ( 3.531 5.604 -13.744) 15.257 21.109 ( -4.434 -9.471 14.531) 17.902 ======================= Grid point 1030 (398/891) ======================= q-point: (-0.24 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.282 ( 0.227 0.027 -1.640) 1.656 3.373 ( -0.449 -0.017 0.734) 0.860 6.299 ( -25.645 -5.995 0.004) 26.336 9.268 ( 25.908 1.129 1.230) 25.961 11.534 ( -47.393 29.805 0.969) 55.994 13.642 ( -9.828 31.332 -6.899) 33.554 14.975 ( -18.890 -12.387 1.097) 22.615 15.756 ( -3.156 -13.557 -1.926) 14.052 16.042 ( -12.714 -19.103 3.140) 23.161 18.257 ( 35.861 4.150 -1.998) 36.156 20.313 ( 0.915 4.578 -16.218) 16.877 21.032 ( 0.725 -7.854 16.795) 18.555 ======================= Grid point 1031 (399/891) ======================= q-point: (-0.19 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( -0.693 -0.087 -1.627) 1.770 3.366 ( -0.623 0.156 -0.089) 0.649 5.795 ( -29.698 -3.784 7.082) 30.764 9.744 ( 28.611 1.088 -2.323) 28.725 10.916 ( -51.408 17.048 -1.337) 54.178 13.757 ( -11.890 30.919 -4.316) 33.406 14.385 ( -35.361 -14.069 -0.329) 38.058 15.368 ( -10.697 -25.636 3.104) 27.951 15.915 ( -0.034 -3.083 -0.756) 3.175 18.832 ( 27.380 6.341 -2.716) 28.236 20.269 ( -3.438 -0.432 -15.505) 15.887 21.097 ( 8.119 -3.748 16.611) 18.865 ======================= Grid point 1032 (400/891) ======================= q-point: (-0.14 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( -2.018 -0.205 -1.479) 2.510 3.352 ( -1.174 0.415 -1.502) 1.951 5.284 ( -32.213 -1.147 16.563) 36.240 9.926 ( -35.376 3.726 -2.316) 35.647 10.455 ( 12.509 3.641 -7.260) 14.915 13.526 ( -47.398 -4.995 -0.827) 47.667 13.833 ( -14.546 18.011 -0.002) 23.151 14.998 ( -8.829 -18.829 2.754) 20.978 15.880 ( -1.080 -1.763 -2.580) 3.306 19.277 ( 19.239 6.568 -3.342) 20.602 20.118 ( -6.674 -3.353 -13.325) 15.275 21.307 ( 13.590 -1.044 15.316) 20.502 ======================= Grid point 1033 (401/891) ======================= q-point: (-0.10 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( -3.746 -0.175 -1.219) 3.943 3.321 ( -2.621 0.856 -3.223) 4.242 4.802 ( -32.783 1.605 28.347) 43.368 9.082 ( -55.384 -1.036 -3.674) 55.515 10.904 ( 31.295 0.670 -12.758) 33.802 12.608 ( -56.422 -0.823 1.249) 56.442 13.718 ( -15.298 5.326 3.332) 16.538 14.737 ( -9.238 -4.194 0.460) 10.156 15.830 ( -2.338 -0.970 -3.454) 4.283 19.547 ( 10.303 -4.940 -6.509) 13.150 19.967 ( -5.154 6.446 -9.599) 12.659 21.594 ( 15.791 -0.467 15.242) 21.952 ======================= Grid point 1042 (402/891) ======================= q-point: ( 0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 0.000 3.277 4.147) 5.286 3.145 ( 0.000 7.265 7.131) 10.180 5.285 ( 0.000 12.659 63.965) 65.206 6.529 ( -0.000 44.560 -10.699) 45.826 9.859 ( -0.000 65.016 -12.895) 66.282 11.857 ( -0.000 0.604 -29.347) 29.353 12.485 ( 0.000 -3.504 3.842) 5.200 14.925 ( -0.000 22.788 4.692) 23.266 15.778 ( -0.000 8.837 -1.247) 8.924 19.098 ( -0.000 -4.114 -19.180) 19.616 19.936 ( 0.000 -9.283 3.446) 9.902 22.660 ( 0.000 -13.346 18.082) 22.474 ======================= Grid point 1043 (403/891) ======================= q-point: ( 0.38 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( 0.878 2.654 2.407) 3.689 3.234 ( 1.069 5.270 5.374) 7.602 5.595 ( 2.096 12.034 58.644) 59.903 7.076 ( 16.711 44.557 -9.064) 48.443 10.348 ( 3.092 32.905 -21.748) 39.563 11.835 ( -5.305 25.530 -15.161) 30.163 12.623 ( 17.678 -2.993 2.404) 18.090 15.092 ( -6.575 21.521 3.538) 22.779 15.822 ( -4.000 7.089 -1.891) 8.357 19.004 ( 8.588 -17.036 -15.046) 24.297 19.890 ( -5.470 5.947 -1.702) 8.257 22.558 ( -2.461 -13.702 17.077) 22.033 ======================= Grid point 1044 (404/891) ======================= q-point: ( 0.43 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( 1.401 1.983 1.042) 2.642 3.308 ( 0.987 3.675 3.539) 5.196 5.916 ( 4.381 10.898 51.645) 52.964 7.871 ( 28.676 44.492 -7.457) 53.455 10.395 ( -3.434 -4.277 -28.749) 29.267 12.181 ( 3.960 50.202 -1.965) 50.396 12.986 ( 25.833 -0.312 2.100) 25.920 15.151 ( -12.242 21.964 1.666) 25.200 15.773 ( -6.118 3.100 -3.904) 7.892 19.000 ( 15.207 -17.491 -12.299) 26.238 19.825 ( -10.420 9.005 -3.756) 14.275 22.411 ( -4.741 -13.697 15.797) 21.439 ======================= Grid point 1045 (405/891) ======================= q-point: ( 0.48 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( 1.670 1.333 0.155) 2.142 3.358 ( 0.484 2.526 2.114) 3.329 6.238 ( 6.421 9.095 43.317) 44.725 8.816 ( 33.516 45.063 -6.398) 56.524 10.101 ( -8.113 -15.817 -25.971) 31.472 12.822 ( 13.860 48.103 1.538) 50.084 13.463 ( 28.230 2.441 3.189) 28.514 15.115 ( -17.656 22.067 -1.104) 28.283 15.688 ( -3.801 0.954 -5.728) 6.940 19.071 ( 14.577 -16.378 -9.909) 24.061 19.700 ( -11.643 7.708 -4.306) 14.613 22.227 ( -6.709 -13.209 14.246) 20.553 ======================= Grid point 1046 (406/891) ======================= q-point: ( 0.52 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 1.765 0.782 -0.328) 1.958 3.386 ( -0.024 1.664 1.212) 2.058 6.544 ( 7.842 6.777 33.850) 35.401 9.568 ( -2.486 1.158 -16.307) 16.536 9.948 ( 24.461 28.591 -9.705) 38.858 13.544 ( 21.218 38.389 2.573) 43.938 13.971 ( 27.275 3.152 4.922) 27.894 14.991 ( -19.964 20.117 -4.466) 28.691 15.645 ( -1.072 1.850 -6.386) 6.734 19.014 ( -1.375 -17.823 -6.910) 19.165 19.637 ( 0.010 5.591 -5.284) 7.693 22.015 ( -8.265 -12.268 12.521) 19.380 ======================= Grid point 1047 (407/891) ======================= q-point: ( 0.57 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.182 ( 1.747 0.388 -0.559) 1.875 3.398 ( -0.387 0.984 0.750) 1.297 6.815 ( 8.254 4.135 23.513) 25.261 9.213 ( -13.070 -15.088 -14.273) 24.540 10.865 ( 27.990 50.410 -4.445) 57.831 14.270 ( 23.494 30.629 3.915) 38.800 14.433 ( 19.264 4.439 6.250) 20.733 14.846 ( -11.542 12.788 -7.066) 18.619 15.645 ( 0.776 2.448 -6.989) 7.446 18.657 ( -15.139 -21.020 -4.471) 26.287 19.753 ( 8.613 3.523 -6.014) 11.080 21.787 ( -9.241 -11.105 10.857) 18.072 ======================= Grid point 1048 (408/891) ======================= q-point: ( 0.62 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( 1.643 0.177 -0.686) 1.789 3.398 ( -0.563 0.459 0.588) 0.934 7.019 ( 6.340 1.167 12.588) 14.143 8.841 ( -10.954 -12.019 -7.331) 17.838 11.752 ( 17.111 55.621 -2.806) 58.261 14.500 ( -23.095 21.826 -2.196) 31.852 14.862 ( 13.090 19.324 7.793) 24.607 15.090 ( 36.258 -8.442 -2.673) 37.324 15.698 ( 7.723 1.890 -7.155) 10.697 18.116 ( -20.716 -25.427 -2.781) 32.915 19.922 ( 9.146 3.485 -6.470) 11.733 21.557 ( -9.408 -10.062 9.612) 16.797 ======================= Grid point 1049 (409/891) ======================= q-point: ( 0.67 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.237 ( 1.444 0.135 -0.823) 1.668 3.393 ( -0.558 0.079 0.593) 0.818 7.090 ( -0.855 -2.054 2.512) 3.356 8.614 ( -2.669 -6.930 -0.190) 7.429 12.463 ( 1.256 58.557 -0.467) 58.572 14.262 ( -26.835 20.747 -5.705) 34.396 15.185 ( 9.655 2.532 11.683) 15.366 15.443 ( 12.890 -3.873 -9.307) 16.363 16.064 ( 38.190 -3.494 -2.300) 38.418 17.484 ( -23.132 -26.082 -1.052) 34.878 20.081 ( 7.495 4.569 -7.483) 11.535 21.337 ( -8.589 -9.480 9.247) 15.784 ======================= Grid point 1050 (410/891) ======================= q-point: (-0.29 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( 1.119 0.208 -1.041) 1.542 3.386 ( -0.435 -0.165 0.650) 0.799 6.952 ( -11.883 -3.681 -1.752) 12.563 8.636 ( 10.017 -2.718 2.699) 10.725 12.845 ( -23.921 52.749 2.290) 57.965 14.040 ( -18.157 20.961 -7.826) 28.814 15.262 ( -0.912 -5.942 6.553) 8.893 15.572 ( 9.920 -2.305 -6.176) 11.911 16.527 ( 13.680 -35.339 -0.228) 37.895 17.049 ( 9.106 2.471 0.055) 9.435 20.217 ( 5.232 6.258 -9.533) 12.546 21.144 ( -6.602 -9.519 10.411) 15.575 ======================= Grid point 1051 (411/891) ======================= q-point: (-0.24 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( 0.630 0.304 -1.347) 1.518 3.379 ( -0.304 -0.278 0.639) 0.760 6.645 ( -20.119 -2.574 0.845) 20.301 8.882 ( 20.075 -1.098 0.634) 20.115 12.631 ( -47.743 30.360 1.068) 56.588 14.073 ( -7.535 29.935 -5.776) 31.405 15.125 ( -9.521 -5.839 1.191) 11.232 15.626 ( 2.292 -13.283 -3.162) 13.846 16.056 ( -12.617 -26.151 3.145) 29.205 17.637 ( 39.884 3.897 -1.292) 40.095 20.315 ( 1.762 7.478 -13.088) 15.176 21.004 ( -2.490 -9.500 13.788) 16.928 ======================= Grid point 1052 (412/891) ======================= q-point: (-0.19 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( -0.054 0.339 -1.651) 1.686 3.373 ( -0.298 -0.252 0.402) 0.560 6.258 ( -25.280 -0.182 6.868) 26.197 9.265 ( 26.611 -0.973 -2.868) 26.783 11.955 ( -54.765 11.646 -1.506) 56.010 14.217 ( -9.392 26.912 -1.685) 28.553 14.815 ( -25.534 -0.424 -2.117) 25.625 15.277 ( -8.933 -28.934 2.144) 30.357 15.879 ( 0.600 -3.002 -0.304) 3.077 18.315 ( 37.120 2.116 -2.229) 37.247 20.323 ( -4.125 5.928 -15.726) 17.304 20.983 ( 4.878 -7.001 17.017) 19.037 ======================= Grid point 1053 (413/891) ======================= q-point: (-0.14 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( -0.988 0.311 -1.789) 2.067 3.365 ( -0.531 -0.085 -0.214) 0.579 5.846 ( -28.653 2.539 14.815) 32.356 9.714 ( 28.946 -1.634 -6.382) 29.686 11.072 ( -54.389 -0.825 -3.387) 54.500 14.196 ( -16.876 3.793 1.899) 17.401 14.252 ( -36.454 4.091 -0.309) 36.684 14.991 ( -5.922 -5.308 0.269) 7.957 15.869 ( 0.050 -0.818 -2.759) 2.878 18.879 ( 29.477 -0.486 -3.550) 29.694 20.219 ( -8.092 4.664 -14.300) 17.080 21.121 ( 11.333 -3.587 16.978) 20.726 ======================= Grid point 1054 (414/891) ======================= q-point: (-0.10 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.238 ( -2.200 0.330 -1.567) 2.722 3.350 ( -1.149 0.238 -1.237) 1.705 5.441 ( -30.506 5.223 24.297) 39.347 9.870 ( -32.564 -6.756 -5.530) 33.714 10.411 ( 9.711 -3.726 -9.446) 14.050 13.529 ( -48.403 7.322 -0.352) 48.955 13.947 ( -14.356 -13.233 5.954) 20.412 14.928 ( -8.684 14.851 -1.589) 17.276 15.845 ( -1.294 0.188 -4.223) 4.420 19.228 ( 17.346 -8.383 -6.777) 20.423 20.119 ( -5.993 10.045 -10.863) 15.964 21.366 ( 15.046 -2.244 16.878) 22.721 ======================= Grid point 1064 (415/891) ======================= q-point: ( 0.38 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 0.000 2.323 1.683) 2.868 3.287 ( 0.000 4.331 4.549) 6.281 5.848 ( 0.000 10.769 54.303) 55.361 7.330 ( -0.000 43.306 -8.509) 44.134 10.451 ( -0.000 6.377 -28.412) 29.119 12.235 ( -0.000 51.032 -7.505) 51.581 12.424 ( 0.000 -5.227 4.353) 6.802 15.344 ( -0.000 18.071 2.919) 18.306 15.939 ( -0.000 8.436 -1.429) 8.556 18.695 ( -0.000 -19.919 -14.822) 24.828 20.012 ( -0.000 9.355 -2.970) 9.815 22.492 ( 0.000 -13.782 16.027) 21.138 ======================= Grid point 1065 (416/891) ======================= q-point: ( 0.43 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( 0.564 1.884 1.002) 2.207 3.339 ( 0.451 3.286 3.290) 4.672 6.104 ( 1.757 9.260 48.061) 48.977 7.868 ( 17.443 41.722 -7.355) 45.816 10.315 ( -3.860 -9.380 -28.988) 30.711 12.461 ( 8.625 4.202 4.067) 10.421 12.831 ( 7.305 50.403 -1.600) 50.955 15.483 ( -3.848 16.994 1.700) 17.507 15.939 ( -8.195 6.602 -2.853) 10.903 18.568 ( 10.589 -16.529 -13.732) 23.957 20.037 ( -5.816 7.462 -3.031) 9.934 22.383 ( -2.451 -13.418 14.602) 19.982 ======================= Grid point 1066 (417/891) ======================= q-point: ( 0.48 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( 0.924 1.403 0.493) 1.751 3.381 ( 0.309 2.367 2.035) 3.137 6.354 ( 3.511 7.351 40.448) 41.260 8.656 ( 30.773 40.354 -6.185) 51.124 10.015 ( -7.710 -15.077 -25.127) 30.301 12.759 ( 22.920 -0.753 4.069) 23.291 13.440 ( 5.616 51.870 1.069) 52.184 15.561 ( -8.242 18.987 0.928) 20.719 15.801 ( -11.127 3.780 -6.289) 13.329 18.619 ( 15.865 -14.360 -11.241) 24.171 19.948 ( -10.402 4.442 -2.594) 11.604 22.236 ( -4.690 -12.547 12.766) 18.504 ======================= Grid point 1067 (418/891) ======================= q-point: ( 0.52 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( 1.156 0.946 0.182) 1.504 3.406 ( -0.079 1.613 1.077) 1.941 6.588 ( 4.998 5.073 31.886) 32.671 9.535 ( 12.686 15.333 -11.816) 23.144 9.729 ( 15.903 8.810 -13.230) 22.484 13.211 ( 31.949 -4.208 3.681) 32.434 14.006 ( 4.618 45.437 3.605) 45.813 15.532 ( -19.399 21.366 -2.867) 29.001 15.687 ( -2.811 3.693 -6.234) 7.772 18.690 ( 12.019 -17.621 -8.541) 22.976 19.793 ( -10.115 3.383 -2.137) 10.878 22.058 ( -6.613 -11.315 10.619) 16.868 ======================= Grid point 1068 (419/891) ======================= q-point: ( 0.57 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 1.304 0.577 0.025) 1.426 3.416 ( -0.451 0.992 0.484) 1.193 6.795 ( 5.941 2.671 22.746) 23.660 9.242 ( -11.812 -13.516 -14.025) 22.779 10.700 ( 41.443 40.869 -4.470) 58.376 13.747 ( 37.294 -7.811 3.232) 38.240 14.480 ( 4.120 33.962 6.237) 34.775 15.387 ( -20.718 23.668 -6.413) 32.101 15.681 ( -3.091 6.260 -5.287) 8.757 18.556 ( -2.045 -25.080 -5.522) 25.762 19.725 ( -1.056 4.937 -2.517) 5.641 21.858 ( -8.131 -10.027 8.426) 15.415 ======================= Grid point 1069 (420/891) ======================= q-point: ( 0.62 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( 1.387 0.342 -0.056) 1.430 3.414 ( -0.685 0.490 0.194) 0.864 6.962 ( 5.827 0.435 13.559) 14.765 8.896 ( -11.312 -10.648 -8.281) 17.604 11.772 ( 37.539 44.860 -3.455) 58.597 14.308 ( 39.500 -11.871 2.605) 41.327 14.809 ( 2.240 16.608 6.914) 18.128 15.285 ( -21.676 32.700 -3.709) 39.407 15.668 ( -1.680 4.192 -7.823) 9.033 18.132 ( -13.713 -29.925 -2.870) 33.042 19.819 ( 6.163 5.103 -3.112) 8.586 21.642 ( -9.079 -8.950 6.530) 14.324 ======================= Grid point 1070 (421/891) ======================= q-point: ( 0.67 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( 1.392 0.261 -0.142) 1.423 3.405 ( -0.738 0.105 0.106) 0.753 7.064 ( 3.195 -1.272 5.325) 6.339 8.631 ( -7.619 -6.831 -2.777) 10.603 12.770 ( 26.551 50.180 -2.109) 56.811 14.806 ( 15.277 -4.290 5.796) 16.893 14.877 ( 6.029 2.649 -5.426) 8.533 15.276 ( -9.921 16.181 6.597) 20.094 15.711 ( 5.925 5.674 -9.284) 12.389 17.562 ( -17.800 -29.060 -0.879) 34.089 19.981 ( 7.921 5.024 -3.559) 10.032 21.421 ( -9.263 -8.261 5.290) 13.492 ======================= Grid point 1071 (422/891) ======================= q-point: ( 0.71 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.238 ( 1.267 0.314 -0.313) 1.343 3.394 ( -0.627 -0.170 0.131) 0.663 7.057 ( -3.672 -1.679 0.426) 4.060 8.517 ( 0.862 -3.634 0.610) 3.785 13.562 ( 5.334 53.781 0.524) 54.047 14.579 ( -28.587 13.673 -4.529) 32.011 15.201 ( 12.868 -10.267 8.751) 18.643 15.280 ( 10.836 -6.935 -5.891) 14.150 15.910 ( 17.642 -8.822 -2.745) 19.914 17.065 ( -11.146 -15.022 0.493) 18.712 20.151 ( 7.274 5.763 -4.444) 10.289 21.207 ( -8.499 -8.105 5.197) 12.843 ======================= Grid point 1072 (423/891) ======================= q-point: (-0.24 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( 0.947 0.445 -0.628) 1.220 3.383 ( -0.416 -0.351 0.209) 0.583 6.912 ( -12.394 -0.126 1.113) 12.444 8.596 ( 11.558 -2.264 -0.020) 11.778 13.687 ( -44.248 25.120 1.415) 50.901 14.410 ( -3.166 22.490 -4.876) 23.229 15.179 ( -0.609 -6.675 6.336) 9.223 15.405 ( 7.799 -10.153 -7.981) 15.086 15.928 ( 2.045 -19.585 2.595) 19.862 17.104 ( 23.222 1.710 -0.388) 23.288 20.304 ( 5.083 7.353 -6.849) 11.261 21.018 ( -6.178 -8.594 7.354) 12.888 ======================= Grid point 1073 (424/891) ======================= q-point: (-0.19 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( 0.399 0.575 -1.069) 1.277 3.374 ( -0.212 -0.438 0.275) 0.559 6.665 ( -19.216 2.573 5.830) 20.245 8.842 ( 20.378 -2.296 -3.019) 20.728 12.919 ( -53.939 -2.219 -2.104) 54.025 14.536 ( -6.269 9.862 1.649) 11.802 15.108 ( -0.623 -16.517 1.806) 16.628 15.262 ( -17.566 14.679 -5.007) 23.433 15.836 ( 1.089 -3.589 1.497) 4.039 17.668 ( 38.816 -0.222 -1.763) 38.856 20.402 ( -0.606 8.814 -12.261) 15.112 20.903 ( 0.223 -8.812 13.315) 15.969 ======================= Grid point 1074 (425/891) ======================= q-point: (-0.14 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( -0.332 0.639 -1.453) 1.622 3.368 ( -0.168 -0.398 0.179) 0.468 6.366 ( -23.852 5.415 12.450) 27.445 9.199 ( 26.497 -2.982 -6.431) 27.428 11.915 ( -54.341 -14.073 -3.487) 56.242 14.365 ( -10.074 -16.811 5.750) 20.424 14.767 ( -21.556 -4.477 -2.183) 22.124 15.260 ( -14.431 32.404 -1.716) 35.513 15.847 ( 1.232 -0.106 -1.292) 1.788 18.294 ( 36.703 -2.633 -3.474) 36.961 20.371 ( -7.166 7.802 -14.516) 17.971 20.955 ( 8.799 -5.897 17.023) 20.049 ======================= Grid point 1075 (426/891) ======================= q-point: (-0.10 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( -1.193 0.674 -1.469) 2.009 3.361 ( -0.404 -0.215 -0.272) 0.532 6.050 ( -26.829 7.986 20.181) 34.509 9.611 ( 28.248 -4.173 -9.733) 30.168 10.851 ( -50.914 -18.275 -4.531) 54.284 13.967 ( -12.207 -27.380 6.331) 30.640 14.339 ( -33.895 12.148 -1.505) 36.037 15.323 ( -13.727 29.375 -1.034) 32.440 15.854 ( -0.316 1.232 -3.404) 3.633 18.772 ( 26.052 -6.979 -6.404) 27.720 20.287 ( -6.609 9.389 -12.129) 16.701 21.147 ( 13.319 -3.890 17.411) 22.264 ======================= Grid point 1086 (427/891) ======================= q-point: ( 0.43 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( 0.000 1.635 0.887) 1.860 3.373 ( 0.000 2.711 2.616) 3.767 6.299 ( 0.000 7.297 42.882) 43.499 8.088 ( -0.000 39.222 -6.924) 39.829 10.162 ( -0.000 -12.951 -27.306) 30.222 12.330 ( 0.000 -7.298 5.097) 8.901 13.367 ( -0.000 61.330 -0.062) 61.330 15.652 ( -0.000 13.006 -0.105) 13.007 16.085 ( -0.000 7.526 -1.619) 7.698 18.295 ( -0.000 -11.956 -14.102) 18.488 20.134 ( -0.000 3.702 -2.125) 4.269 22.316 ( 0.000 -12.660 12.962) 18.119 ======================= Grid point 1087 (428/891) ======================= q-point: ( 0.48 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( 0.360 1.303 0.766) 1.554 3.404 ( 0.125 2.061 1.703) 2.677 6.483 ( 1.407 5.167 36.236) 36.630 8.590 ( 18.113 36.552 -6.056) 41.241 9.914 ( -4.993 -14.392 -23.434) 27.950 12.392 ( 14.250 -7.939 5.153) 17.107 13.948 ( 0.221 56.593 1.787) 56.622 15.751 ( -1.463 10.528 -2.089) 10.832 16.065 ( -9.699 8.695 -2.553) 13.274 18.250 ( 9.616 -8.698 -12.060) 17.708 20.098 ( -5.496 -0.320 -1.078) 5.610 22.213 ( -2.421 -11.419 10.825) 15.919 ======================= Grid point 1088 (429/891) ======================= q-point: ( 0.52 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( 0.611 0.954 0.685) 1.324 3.425 ( -0.075 1.448 0.827) 1.669 6.649 ( 2.748 2.891 28.648) 28.925 9.344 ( 31.560 33.329 -5.291) 46.205 9.607 ( -6.912 -12.939 -18.190) 23.369 12.663 ( 25.499 -8.816 4.792) 27.402 14.457 ( -1.174 47.553 3.934) 47.730 15.770 ( -4.341 4.862 -6.754) 9.386 15.990 ( -11.990 18.028 -1.280) 21.689 18.316 ( 11.195 -11.279 -9.235) 18.380 19.957 ( -8.516 -2.519 0.038) 8.881 22.077 ( -4.672 -9.923 8.305) 13.758 ======================= Grid point 1089 (430/891) ======================= q-point: ( 0.57 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( 0.817 0.646 0.651) 1.228 3.434 ( -0.409 0.912 0.180) 1.016 6.791 ( 3.907 0.620 20.659) 21.034 9.270 ( -10.373 -11.103 -13.099) 20.061 10.311 ( 43.570 32.254 -4.296) 54.380 13.077 ( 32.638 -10.160 4.354) 34.459 14.829 ( -3.270 32.959 6.407) 33.735 15.708 ( -5.327 7.979 -10.945) 14.554 15.996 ( -13.104 24.381 0.481) 27.684 18.284 ( 3.945 -20.279 -6.553) 21.673 19.812 ( -5.572 -0.652 0.685) 5.652 21.912 ( -6.662 -8.511 5.694) 12.216 ======================= Grid point 1090 (431/891) ======================= q-point: ( 0.62 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( 1.001 0.426 0.646) 1.265 3.431 ( -0.699 0.464 -0.199) 0.862 6.907 ( 4.708 -1.339 12.850) 13.750 8.968 ( -10.875 -7.901 -8.208) 15.750 11.391 ( 48.880 32.139 -3.499) 58.603 13.561 ( 36.040 -12.183 3.811) 38.234 15.011 ( -4.553 15.309 7.445) 17.622 15.711 ( -2.850 12.040 -11.574) 16.942 15.998 ( -19.298 31.137 1.158) 36.651 17.994 ( -6.943 -30.180 -3.806) 31.201 19.792 ( 1.698 2.643 0.531) 3.186 21.723 ( -8.249 -7.380 3.308) 11.552 ======================= Grid point 1091 (432/891) ======================= q-point: ( 0.67 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.196 ( 1.154 0.328 0.623) 1.352 3.420 ( -0.845 0.112 -0.360) 0.925 6.994 ( 4.709 -2.582 5.998) 8.051 8.716 ( -9.916 -4.305 -3.880) 11.485 12.523 ( 48.768 33.453 -2.877) 59.209 14.047 ( 36.265 -15.649 3.094) 39.618 15.051 ( -4.091 5.510 6.590) 9.514 15.712 ( -6.201 4.627 -7.929) 11.079 15.957 ( -24.215 35.832 -0.302) 43.248 17.508 ( -11.665 -32.231 -1.504) 34.310 19.899 ( 6.422 3.839 0.356) 7.490 21.515 ( -9.251 -6.548 1.385) 11.418 ======================= Grid point 1092 (433/891) ======================= q-point: ( 0.71 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( 1.225 0.354 0.522) 1.378 3.404 ( -0.822 -0.142 -0.378) 0.916 7.044 ( 2.816 -2.568 1.249) 4.011 8.541 ( -6.522 -1.442 -0.791) 6.726 13.617 ( 40.762 36.367 -2.437) 54.681 14.457 ( 32.440 -23.517 2.689) 40.158 15.039 ( -4.483 4.697 4.235) 7.753 15.475 ( -24.790 2.900 -1.972) 25.037 15.884 ( -12.280 13.395 -3.324) 18.473 17.075 ( -8.467 -17.272 0.100) 19.236 20.063 ( 8.073 4.245 0.352) 9.128 21.298 ( -9.521 -5.997 0.128) 11.253 ======================= Grid point 1093 (434/891) ======================= q-point: (-0.24 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( 1.130 0.472 0.273) 1.254 3.388 ( -0.654 -0.315 -0.298) 0.785 7.037 ( -2.193 -0.736 0.085) 2.314 8.478 ( 0.428 -0.336 -0.055) 0.546 14.427 ( -11.322 8.351 1.264) 14.126 14.480 ( 13.716 -9.110 -2.254) 16.619 15.016 ( -6.964 -1.015 -0.295) 7.044 15.226 ( 12.062 5.496 3.080) 13.608 15.802 ( -3.302 -0.321 -2.114) 3.934 16.925 ( 0.291 -0.171 0.318) 0.464 20.244 ( 7.932 5.027 -0.001) 9.391 21.086 ( -8.877 -5.818 -0.001) 10.614 ======================= Grid point 1094 (435/891) ======================= q-point: (-0.19 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( 0.785 0.624 -0.169) 1.017 3.375 ( -0.396 -0.429 -0.125) 0.597 6.953 ( -9.414 2.644 3.005) 10.229 8.554 ( 9.827 -1.085 -2.029) 10.093 13.616 ( -42.955 -28.782 -2.206) 51.753 14.603 ( -4.426 -12.763 4.218) 14.152 14.976 ( 3.112 -0.674 -2.075) 3.800 15.687 ( 3.027 38.781 -1.308) 38.921 15.776 ( 2.278 -2.180 1.355) 3.432 17.097 ( 22.636 -1.933 -0.857) 22.734 20.417 ( 5.729 6.877 -2.651) 9.335 20.899 ( -6.197 -6.555 2.930) 9.484 ======================= Grid point 1095 (436/891) ======================= q-point: (-0.14 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( 0.189 0.749 -0.730) 1.062 3.366 ( -0.143 -0.475 0.092) 0.504 6.796 ( -16.149 6.288 8.535) 19.318 8.767 ( 18.658 -2.686 -5.341) 19.593 12.550 ( -47.282 -31.505 -2.993) 56.896 14.296 ( -8.102 -27.205 5.082) 28.837 14.980 ( -5.777 5.547 -2.441) 8.373 15.796 ( -0.056 5.165 -5.352) 7.438 15.954 ( -16.188 37.797 5.458) 41.479 17.607 ( 39.152 -4.392 -3.049) 39.516 20.510 ( -3.249 9.267 -12.102) 15.585 20.818 ( 4.054 -7.662 13.521) 16.061 ======================= Grid point 1096 (437/891) ======================= q-point: (-0.10 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( -0.508 0.812 -1.065) 1.432 3.361 ( -0.080 -0.414 0.106) 0.435 6.591 ( -21.093 9.296 15.152) 27.585 9.083 ( 25.109 -4.433 -8.765) 26.962 11.442 ( -47.476 -30.286 -3.666) 56.432 13.878 ( -9.685 -29.809 4.777) 31.705 14.867 ( -16.431 10.653 -1.623) 19.650 15.825 ( -1.977 7.728 -6.798) 10.480 15.982 ( -19.747 29.525 5.835) 35.996 18.190 ( 34.551 -4.638 -5.768) 35.335 20.450 ( -7.034 8.089 -13.239) 17.034 20.946 ( 11.316 -4.851 16.893) 20.904 ======================= Grid point 1108 (438/891) ======================= q-point: ( 0.48 0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( 0.000 1.089 0.972) 1.460 3.425 ( 0.000 1.633 1.129) 1.985 6.605 ( 0.000 2.761 30.791) 30.914 8.753 ( -0.000 32.900 -5.658) 33.383 9.761 ( -0.000 -13.197 -20.491) 24.373 12.202 ( 0.000 -9.031 5.960) 10.821 14.486 ( -0.000 52.008 3.007) 52.095 15.851 ( -0.000 8.958 -3.809) 9.734 16.208 ( -0.000 6.079 -1.810) 6.343 18.086 ( -0.000 -2.473 -11.035) 11.308 20.116 ( 0.000 -4.928 0.420) 4.946 22.157 ( 0.000 -9.912 8.382) 12.981 ======================= Grid point 1109 (439/891) ======================= q-point: ( 0.52 0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 0.232 0.828 1.125) 1.416 3.441 ( -0.043 1.155 0.440) 1.237 6.708 ( 1.146 0.349 24.372) 24.402 9.197 ( 18.821 29.042 -4.874) 34.949 9.548 ( -4.997 -11.036 -16.314) 20.320 12.251 ( 14.207 -9.456 5.999) 18.090 14.943 ( -2.363 42.890 4.805) 43.223 15.879 ( -4.087 6.169 -6.658) 9.955 16.243 ( -2.144 10.053 -1.293) 10.360 18.092 ( 4.323 -1.807 -8.565) 9.763 20.018 ( -4.233 -7.691 1.908) 8.984 22.068 ( -2.439 -8.303 5.578) 10.295 ======================= Grid point 1110 (440/891) ======================= q-point: ( 0.57 0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 0.422 0.581 1.243) 1.436 3.447 ( -0.266 0.704 -0.177) 0.773 6.788 ( 2.302 -1.950 17.503) 17.761 9.301 ( -8.335 -7.770 -11.641) 16.290 9.904 ( 35.216 25.040 -3.996) 43.395 12.508 ( 24.873 -9.651 5.577) 27.256 15.225 ( -6.933 26.325 7.081) 28.128 15.836 ( -4.531 8.203 -10.188) 13.842 16.352 ( -1.829 19.200 0.262) 19.288 18.072 ( 0.148 -9.310 -6.115) 11.140 19.872 ( -4.609 -6.359 3.044) 8.423 21.946 ( -4.770 -6.891 2.700) 8.805 ======================= Grid point 1111 (441/891) ======================= q-point: ( 0.62 0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 0.622 0.391 1.337) 1.526 3.444 ( -0.555 0.320 -0.596) 0.875 6.847 ( 3.501 -3.954 10.746) 11.974 9.063 ( -9.948 -3.944 -7.315) 12.963 10.815 ( 47.508 21.042 -3.090) 52.051 12.904 ( 30.999 -9.535 5.016) 32.818 15.268 ( -9.010 9.260 7.017) 14.703 15.843 ( -3.489 10.899 -10.159) 15.302 16.536 ( -5.465 29.636 1.553) 30.176 17.836 ( -8.952 -22.203 -3.783) 24.237 19.795 ( -0.411 -1.687 3.449) 3.862 21.791 ( -6.836 -5.779 0.022) 8.951 ======================= Grid point 1112 (442/891) ======================= q-point: ( 0.67 0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( 0.841 0.295 1.391) 1.652 3.433 ( -0.781 0.021 -0.799) 1.117 6.892 ( 4.721 -5.381 4.674) 8.549 8.856 ( -10.550 -0.002 -3.573) 11.138 11.856 ( 55.538 15.823 -2.333) 57.795 13.367 ( 32.504 -8.562 4.328) 33.890 15.198 ( -7.069 1.728 6.320) 9.639 15.834 ( -5.123 6.724 -8.389) 11.910 16.707 ( -16.714 38.490 2.266) 42.023 17.354 ( -12.052 -34.056 -2.011) 36.182 19.841 ( 4.295 1.466 3.647) 5.823 21.608 ( -8.452 -4.867 -2.308) 10.023 ======================= Grid point 1113 (443/891) ======================= q-point: (-0.29 -0.52 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 1.040 0.303 1.362) 1.741 3.415 ( -0.871 -0.184 -0.830) 1.217 6.930 ( 5.730 -5.905 -0.092) 8.229 8.692 ( -10.261 3.343 -0.624) 10.810 12.921 ( 58.670 3.881 -1.568) 58.819 13.836 ( 29.205 -3.138 3.175) 29.545 15.117 ( -4.078 -2.248 6.257) 7.799 15.743 ( -9.299 2.587 -7.014) 11.932 16.476 ( -35.794 0.738 1.676) 35.841 17.053 ( -1.910 2.550 0.032) 3.186 19.971 ( 7.317 2.297 4.204) 8.746 21.405 ( -9.475 -3.999 -4.257) 11.130 ======================= Grid point 1114 (444/891) ======================= q-point: (-0.24 -0.52 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( 1.139 0.394 1.188) 1.692 3.396 ( -0.811 -0.303 -0.743) 1.141 6.970 ( 5.801 -5.154 -2.840) 8.264 8.576 ( -8.517 5.375 1.209) 10.144 13.690 ( 41.150 -33.445 1.233) 53.041 14.366 ( 26.622 18.124 -1.439) 32.238 15.098 ( 5.448 -1.101 7.080) 9.001 15.429 ( -27.277 -6.165 -4.163) 28.273 15.959 ( -14.273 -5.315 -0.093) 15.230 17.086 ( -9.538 18.810 0.848) 21.107 20.144 ( 8.886 2.431 5.066) 10.513 21.194 ( -9.837 -3.074 -5.802) 11.827 ======================= Grid point 1115 (445/891) ======================= q-point: (-0.19 -0.52 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( 1.036 0.522 0.809) 1.414 3.379 ( -0.628 -0.364 -0.551) 0.912 7.004 ( 3.641 -2.736 -2.778) 5.334 8.524 ( -4.188 5.408 1.357) 6.974 13.583 ( -1.586 -52.645 1.625) 52.694 14.651 ( -11.036 -8.342 -1.446) 13.910 14.977 ( -4.308 0.819 -2.016) 4.827 15.561 ( 29.384 13.505 9.094) 33.593 15.871 ( 4.372 9.823 -5.532) 12.092 17.079 ( -12.155 16.908 1.194) 20.858 20.337 ( 9.227 2.702 5.875) 11.267 20.988 ( -9.475 -2.195 -6.693) 11.806 ======================= Grid point 1116 (446/891) ======================= q-point: (-0.14 0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.280 ( 0.658 0.641 0.215) 0.944 3.366 ( -0.360 -0.396 -0.236) 0.585 7.013 ( -1.717 1.358 0.595) 2.268 8.558 ( 3.440 3.178 -0.681) 4.732 12.798 ( -27.969 -49.994 -0.299) 57.287 14.232 ( -14.015 -22.622 1.454) 26.651 15.052 ( 2.935 5.104 -1.603) 6.102 15.779 ( 2.166 1.242 1.614) 2.973 16.507 ( 19.770 38.478 -0.292) 43.261 17.051 ( 2.928 0.994 0.035) 3.092 20.531 ( 7.846 4.098 4.632) 9.990 20.804 ( -7.405 -2.494 -4.850) 9.197 ======================= Grid point 1117 (447/891) ======================= q-point: (-0.10 0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( 0.065 0.724 -0.403) 0.831 3.358 ( -0.100 -0.398 0.096) 0.421 6.970 ( -9.060 6.047 6.573) 12.722 8.700 ( 12.825 -0.483 -4.409) 13.570 11.792 ( -36.312 -42.965 -1.560) 56.276 13.782 ( -11.556 -26.947 1.897) 29.382 15.109 ( -3.136 6.996 -0.576) 7.688 15.832 ( 1.806 3.017 -1.691) 3.901 16.729 ( -26.212 32.858 4.275) 42.249 17.504 ( 41.746 -0.994 -4.937) 42.048 20.606 ( -7.273 7.500 -14.240) 17.661 20.769 ( 9.480 -5.193 15.549) 18.937 ======================= Grid point 1130 (448/891) ======================= q-point: ( 0.52 0.52 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 0.000 0.630 1.483) 1.611 3.451 ( -0.000 0.773 -0.070) 0.776 6.751 ( 0.000 -2.308 19.215) 19.354 9.278 ( -0.000 23.846 -4.380) 24.245 9.459 ( -0.000 -7.566 -13.332) 15.329 12.058 ( 0.000 -9.114 6.696) 11.310 15.363 ( -0.000 34.964 6.155) 35.502 15.962 ( -0.000 5.851 -7.289) 9.347 16.296 ( -0.000 4.109 -2.003) 4.571 18.068 ( -0.000 5.417 -6.258) 8.277 19.968 ( 0.000 -10.646 3.578) 11.231 22.028 ( 0.000 -6.745 2.587) 7.225 ======================= Grid point 1131 (449/891) ======================= q-point: ( 0.57 0.52 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( 0.162 0.421 1.762) 1.819 3.455 ( -0.103 0.375 -0.603) 0.718 6.771 ( 1.081 -4.857 13.438) 14.330 9.330 ( -4.945 -3.421 -9.600) 11.327 9.636 ( 19.581 18.114 -3.487) 26.901 12.112 ( 13.732 -8.053 6.566) 17.220 15.593 ( -8.035 18.534 8.048) 21.744 15.952 ( -3.237 7.494 -10.063) 12.958 16.412 ( 8.177 7.356 -0.899) 11.036 18.083 ( -4.453 4.351 -3.509) 7.146 19.859 ( -1.874 -9.334 4.820) 10.670 21.951 ( -2.499 -5.462 -0.419) 6.022 ======================= Grid point 1132 (450/891) ======================= q-point: ( 0.62 0.52 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 0.332 0.251 1.974) 2.018 3.451 ( -0.295 0.030 -1.021) 1.063 6.770 ( 2.378 -7.150 7.471) 10.611 9.183 ( -8.272 1.050 -5.717) 10.110 10.248 ( 36.770 11.470 -2.382) 38.592 12.381 ( 23.879 -5.990 5.894) 25.315 15.521 ( -11.832 2.730 5.927) 13.512 15.969 ( -2.911 9.066 -8.610) 12.837 16.671 ( 11.345 9.933 0.297) 15.082 17.931 ( -15.478 -1.084 -0.502) 15.524 19.785 ( -0.303 -3.966 5.414) 6.718 21.836 ( -4.870 -4.447 -3.232) 7.345 ======================= Grid point 1133 (451/891) ======================= q-point: (-0.33 -0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( 0.548 0.153 2.120) 2.195 3.440 ( -0.519 -0.226 -1.237) 1.361 6.758 ( 4.038 -9.009 1.788) 10.033 9.048 ( -10.193 5.392 -2.196) 11.738 11.044 ( 49.623 2.825 -1.202) 49.717 12.808 ( 29.585 -2.221 4.906) 30.072 15.350 ( -9.645 -2.964 4.899) 11.217 15.951 ( -4.556 4.557 -6.812) 9.377 16.910 ( 9.842 -4.633 -0.907) 10.916 17.580 ( -26.842 8.290 3.222) 28.277 19.805 ( 2.484 0.297 5.921) 6.428 21.686 ( -6.912 -3.515 -5.760) 9.659 ======================= Grid point 1134 (452/891) ======================= q-point: (-0.29 -0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 0.799 0.143 2.166) 2.313 3.423 ( -0.686 -0.380 -1.253) 1.478 6.747 ( 6.138 -10.213 -3.136) 12.321 8.935 ( -11.410 9.148 0.767) 14.644 11.906 ( 55.859 -10.465 0.159) 56.831 13.347 ( 31.965 4.639 3.371) 32.475 15.177 ( -6.540 -7.342 4.742) 10.916 15.872 ( -6.177 1.378 -5.579) 8.437 16.670 ( -13.269 -35.248 -0.462) 37.666 17.460 ( -15.862 36.783 4.038) 40.261 19.896 ( 5.143 1.172 6.963) 8.735 21.508 ( -8.464 -2.427 -8.022) 11.911 ======================= Grid point 1135 (453/891) ======================= q-point: (-0.24 -0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( 1.021 0.210 2.053) 2.302 3.404 ( -0.739 -0.437 -1.116) 1.408 6.754 ( 8.549 -10.563 -6.837) 15.212 8.846 ( -12.202 11.925 3.099) 17.341 12.618 ( 49.019 -30.280 1.971) 57.651 13.994 ( 34.073 13.307 0.439) 36.582 15.032 ( -0.985 -10.047 4.953) 11.244 15.698 ( -15.254 -6.658 -5.329) 17.475 16.065 ( -15.198 -24.710 2.357) 29.105 17.581 ( -14.734 34.931 2.666) 38.005 20.034 ( 7.775 0.524 8.437) 11.486 21.315 ( -9.453 -1.003 -10.085) 13.859 ======================= Grid point 1136 (454/891) ======================= q-point: (-0.19 -0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( 1.110 0.308 1.716) 2.067 3.385 ( -0.675 -0.414 -0.868) 1.175 6.794 ( 10.749 -9.900 -8.902) 17.111 8.774 ( -12.302 13.395 4.700) 18.785 12.872 ( 24.501 -49.131 3.265) 54.998 14.588 ( 14.993 2.787 -4.632) 15.938 15.118 ( 2.524 -3.220 4.052) 5.758 15.174 ( 1.656 -14.001 1.667) 14.196 15.855 ( -0.974 -2.915 -0.263) 3.085 17.629 ( -19.298 32.110 2.637) 37.555 20.210 ( 9.734 -0.083 10.038) 13.983 21.120 ( -9.911 0.783 -11.990) 15.576 ======================= Grid point 1137 (455/891) ======================= q-point: (-0.14 -0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( 0.974 0.383 1.135) 1.544 3.369 ( -0.518 -0.349 -0.518) 0.811 6.871 ( 11.675 -8.060 -8.957) 16.778 8.721 ( -10.919 13.201 5.314) 17.937 12.525 ( -2.984 -57.033 2.833) 57.181 14.330 ( -20.548 -20.473 -2.864) 29.148 14.970 ( 7.768 -2.310 -0.323) 8.111 15.736 ( 12.408 3.006 8.018) 15.076 16.005 ( 34.924 4.420 -5.964) 35.705 17.579 ( -23.456 30.682 3.609) 38.789 20.408 ( 10.434 -0.603 11.781) 15.749 20.934 ( -9.918 2.796 -13.743) 17.177 ======================= Grid point 1152 (456/891) ======================= q-point: ( 0.57 0.57 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( 0.000 0.228 2.197) 2.209 3.455 ( -0.000 -0.016 -1.070) 1.070 6.732 ( 0.000 -7.814 8.588) 11.611 9.341 ( -0.000 1.644 -6.747) 6.944 9.600 ( -0.000 10.792 -2.722) 11.130 11.947 ( 0.000 -5.740 6.893) 8.970 15.838 ( 0.000 6.016 8.235) 10.198 16.021 ( -0.000 8.207 -9.236) 12.355 16.341 ( -0.000 1.746 -2.194) 2.804 18.199 ( -0.000 8.722 -0.016) 8.722 19.801 ( 0.000 -7.489 5.947) 9.563 21.920 ( -0.000 -4.344 -3.487) 5.570 ======================= Grid point 1153 (457/891) ======================= q-point: (-0.38 -0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( 0.137 0.053 2.549) 2.554 3.449 ( -0.064 -0.379 -1.479) 1.528 6.669 ( 1.279 -10.554 3.226) 11.110 9.322 ( -5.146 6.687 -3.427) 9.107 9.830 ( 19.978 2.810 -1.508) 20.231 12.040 ( 13.471 -2.557 6.388) 15.127 15.725 ( -10.852 -5.584 3.102) 12.592 16.063 ( -2.288 6.071 -5.329) 8.396 16.481 ( 12.914 -0.397 -1.114) 12.968 18.201 ( -9.576 6.701 3.744) 12.272 19.773 ( 0.060 -1.290 6.430) 6.559 21.847 ( -2.512 -3.428 -6.362) 7.651 ======================= Grid point 1154 (458/891) ======================= q-point: (-0.33 -0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( 0.316 -0.070 2.812) 2.830 3.437 ( -0.155 -0.644 -1.710) 1.833 6.592 ( 3.015 -12.883 -2.196) 13.412 9.285 ( -8.799 11.186 -0.129) 14.232 10.293 ( 36.791 -6.199 -0.084) 37.309 12.369 ( 23.851 1.619 5.328) 24.493 15.471 ( -10.321 -10.383 2.418) 14.838 16.031 ( -3.707 1.092 -4.338) 5.810 16.635 ( 9.905 -12.035 -1.709) 15.681 18.074 ( -15.618 12.312 7.041) 21.097 19.810 ( 0.505 3.205 7.095) 7.802 21.735 ( -4.811 -2.458 -8.986) 10.485 ======================= Grid point 1155 (459/891) ======================= q-point: (-0.29 -0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( 0.563 -0.120 2.950) 3.005 3.422 ( -0.280 -0.782 -1.702) 1.894 6.515 ( 5.387 -14.613 -7.177) 17.149 9.248 ( -11.173 14.905 2.769) 18.832 10.902 ( 47.578 -16.736 1.309) 50.452 12.881 ( 30.691 6.391 3.927) 31.595 15.201 ( -7.600 -15.865 2.345) 17.747 15.947 ( -4.522 -1.439 -3.254) 5.754 16.491 ( -4.132 -27.341 -1.279) 27.681 18.040 ( -12.469 26.198 7.273) 29.911 19.879 ( 1.261 2.974 8.604) 9.190 21.591 ( -6.722 -1.141 -11.363) 13.251 ======================= Grid point 1156 (460/891) ======================= q-point: (-0.24 -0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( 0.841 -0.095 2.893) 3.014 3.404 ( -0.380 -0.792 -1.476) 1.718 6.457 ( 8.469 -15.580 -11.242) 20.996 9.214 ( -12.988 17.683 5.093) 22.524 11.511 ( 48.904 -29.152 2.616) 56.994 13.525 ( 35.066 10.271 2.024) 36.596 14.933 ( -3.097 -21.122 2.267) 21.468 15.816 ( -9.038 -7.172 -4.316) 12.319 16.046 ( -12.043 -25.464 2.745) 28.302 18.158 ( -11.417 32.392 5.130) 34.726 19.961 ( 3.813 0.209 10.682) 11.344 21.429 ( -8.161 0.717 -13.496) 15.788 ======================= Grid point 1157 (461/891) ======================= q-point: (-0.19 -0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.237 ( 1.057 -0.030 2.559) 2.769 3.387 ( -0.415 -0.688 -1.091) 1.355 6.441 ( 12.095 -15.700 -14.015) 24.273 9.180 ( -14.586 19.425 6.833) 25.234 11.910 ( 36.892 -43.097 3.681) 56.850 14.218 ( 32.672 8.476 -1.716) 33.797 14.760 ( 10.033 -21.424 3.272) 23.882 15.319 ( -22.190 -23.241 -2.014) 32.196 15.855 ( -1.972 -3.166 2.694) 4.601 18.261 ( -16.061 32.330 3.930) 36.313 20.081 ( 7.791 -1.959 12.445) 14.813 21.260 ( -9.160 3.040 -15.306) 18.095 ======================= Grid point 1158 (462/891) ======================= q-point: (-0.14 -0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( 1.108 0.004 1.910) 2.208 3.372 ( -0.386 -0.498 -0.604) 0.873 6.484 ( 15.756 -15.009 -15.312) 26.608 9.138 ( -15.862 20.072 8.046) 26.819 11.882 ( 15.024 -54.451 4.060) 56.631 14.413 ( -8.858 -16.460 -5.468) 19.475 14.754 ( 5.866 -21.264 0.766) 22.072 15.237 ( 35.496 4.532 3.653) 35.970 15.836 ( 0.578 -0.099 1.483) 1.595 18.260 ( -20.744 29.579 4.447) 36.401 20.253 ( 10.530 -2.226 13.255) 17.074 21.097 ( -9.795 5.425 -16.602) 20.025 ======================= Grid point 1174 (463/891) ======================= q-point: (-0.38 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( 0.000 -0.154 3.062) 3.066 3.438 ( -0.000 -0.821 -1.916) 2.085 6.543 ( 0.000 -13.772 -1.690) 13.875 9.455 ( -0.000 12.271 -0.466) 12.280 9.644 ( 0.000 -5.475 -0.557) 5.503 11.933 ( 0.000 0.666 6.307) 6.342 15.718 ( 0.000 -16.380 -0.727) 16.396 16.131 ( -0.000 1.909 -0.678) 2.026 16.338 ( -0.000 -0.764 -2.378) 2.498 18.346 ( 0.000 3.397 7.743) 8.455 19.811 ( 0.000 5.451 6.802) 8.717 21.817 ( -0.000 -2.527 -9.294) 9.632 ======================= Grid point 1175 (464/891) ======================= q-point: (-0.33 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( 0.143 -0.335 3.489) 3.508 3.423 ( 0.086 -1.184 -2.206) 2.505 6.397 ( 1.701 -16.535 -6.838) 17.974 9.545 ( -5.350 15.590 2.058) 16.611 9.725 ( 19.294 -12.231 1.184) 22.874 12.090 ( 13.853 3.891 5.603) 15.441 15.460 ( -5.978 -22.957 -0.695) 23.733 16.081 ( -3.740 -2.003 -1.327) 4.446 16.389 ( 6.557 -7.145 -2.138) 9.931 18.351 ( -5.090 4.515 10.714) 12.692 19.900 ( -1.211 9.445 7.600) 12.184 21.747 ( -2.416 -1.414 -11.981) 12.304 ======================= Grid point 1176 (465/891) ======================= q-point: (-0.29 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( 0.350 -0.469 3.762) 3.807 3.407 ( 0.182 -1.386 -2.216) 2.620 6.248 ( 4.051 -18.680 -11.708) 22.415 9.600 ( -8.976 18.803 4.534) 21.323 10.031 ( 34.321 -20.036 2.622) 39.828 12.486 ( 24.890 6.786 4.536) 26.195 15.105 ( -5.756 -29.111 -0.246) 29.675 15.984 ( -3.798 -4.108 -1.236) 5.729 16.315 ( -1.786 -17.000 -1.856) 17.194 18.389 ( -3.309 13.498 10.914) 17.671 19.974 ( -3.187 7.901 9.354) 12.652 21.645 ( -4.545 0.258 -14.369) 15.073 ======================= Grid point 1177 (466/891) ======================= q-point: (-0.24 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( 0.637 -0.538 3.775) 3.866 3.391 ( 0.205 -1.400 -1.892) 2.363 6.114 ( 7.237 -20.062 -15.808) 26.547 9.635 ( -11.835 21.352 6.735) 25.325 10.463 ( 42.771 -28.555 3.526) 51.548 13.054 ( 32.171 8.341 3.221) 33.390 14.719 ( -2.831 -34.759 0.003) 34.874 15.848 ( -6.558 -10.827 -3.566) 13.151 16.025 ( -9.121 -16.055 2.502) 18.634 18.557 ( -1.569 22.283 8.314) 23.835 19.998 ( -3.231 2.709 11.791) 12.522 21.524 ( -6.311 2.637 -16.318) 17.694 ======================= Grid point 1178 (467/891) ======================= q-point: (-0.19 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( 0.936 -0.554 3.398) 3.568 3.377 ( 0.176 -1.230 -1.272) 1.778 6.022 ( 11.270 -20.581 -18.715) 30.014 9.653 ( -14.080 22.754 8.280) 28.010 10.868 ( 40.608 -38.058 4.200) 55.813 13.711 ( 35.429 6.790 1.249) 36.095 14.374 ( 4.187 -36.286 0.247) 36.528 15.427 ( -17.984 -22.326 -3.173) 28.844 15.873 ( -2.693 -3.141 4.194) 5.891 18.760 ( -6.477 26.649 5.460) 27.963 20.009 ( 1.339 -2.879 13.998) 14.354 21.397 ( -7.769 5.429 -17.593) 19.983 ======================= Grid point 1179 (468/891) ======================= q-point: (-0.14 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( 1.135 -0.587 2.563) 2.863 3.366 ( 0.120 -0.892 -0.463) 1.012 5.995 ( 15.849 -20.254 -20.166) 32.681 9.648 ( -16.067 23.089 9.226) 29.604 11.038 ( 26.548 -48.171 4.572) 55.192 14.209 ( 13.639 -22.784 -1.053) 26.575 14.258 ( 22.638 -17.038 -2.072) 28.409 14.989 ( -4.094 -9.194 0.767) 10.093 15.840 ( -0.482 -1.062 3.932) 4.101 18.843 ( -15.311 24.578 4.925) 29.373 20.097 ( 8.652 -3.831 14.079) 16.963 21.271 ( -9.016 7.961 -18.000) 21.649 ======================= Grid point 1196 (469/891) ======================= q-point: (-0.33 -0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.189 ( 0.000 -0.617 4.136) 4.182 3.401 ( -0.000 -1.729 -2.629) 3.146 6.181 ( -0.000 -19.676 -11.705) 22.895 9.394 ( 0.000 -19.940 1.426) 19.991 9.800 ( 0.000 21.490 5.353) 22.147 12.032 ( 0.000 5.427 5.519) 7.741 15.222 ( 0.000 -34.287 -1.747) 34.331 16.074 ( 0.000 -6.837 -0.703) 6.873 16.286 ( -0.000 -3.128 -2.551) 4.036 18.438 ( 0.000 1.136 13.545) 13.592 20.048 ( 0.000 12.507 8.545) 15.147 21.723 ( -0.000 0.036 -14.692) 14.692 ======================= Grid point 1197 (470/891) ======================= q-point: (-0.29 -0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( 0.162 -0.897 4.643) 4.731 3.378 ( 0.379 -2.127 -2.773) 3.515 5.957 ( 2.266 -22.166 -16.355) 27.640 9.335 ( 18.204 -25.642 2.028) 31.512 9.991 ( -5.767 24.260 8.062) 26.207 12.229 ( 14.495 6.669 4.992) 16.718 14.824 ( -2.267 -41.691 -1.579) 41.782 15.972 ( -2.103 -8.941 -1.369) 9.286 16.227 ( -2.200 -7.369 -2.219) 8.005 18.512 ( 1.802 5.394 14.092) 15.196 20.159 ( -3.724 10.200 10.226) 14.915 21.669 ( -2.235 2.266 -16.947) 17.244 ======================= Grid point 1198 (471/891) ======================= q-point: (-0.24 -0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( 0.412 -1.153 4.777) 4.931 3.359 ( 0.787 -2.259 -2.402) 3.390 5.744 ( 5.345 -23.897 -20.343) 31.835 9.492 ( 31.053 -30.410 2.310) 43.525 10.129 ( -8.852 24.924 10.410) 28.425 12.650 ( 25.515 6.939 4.158) 26.766 14.356 ( -1.324 -46.626 -1.378) 46.665 15.810 ( -4.764 -14.101 -3.510) 15.293 16.055 ( -7.238 -8.187 1.076) 10.980 18.702 ( 6.055 12.448 11.771) 18.170 20.168 ( -7.353 4.533 12.179) 14.931 21.601 ( -4.237 5.246 -18.411) 19.607 ======================= Grid point 1199 (472/891) ======================= q-point: (-0.19 -0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( 0.763 -1.367 4.265) 4.543 3.347 ( 1.016 -2.074 -1.396) 2.699 5.569 ( 9.423 -24.757 -23.225) 35.229 9.742 ( 31.894 -31.942 2.716) 45.220 10.251 ( -6.445 21.045 11.733) 24.942 13.201 ( 31.374 3.231 3.049) 31.687 13.909 ( 3.740 -45.896 -1.443) 46.070 15.471 ( -13.329 -20.705 -4.481) 25.029 15.908 ( -4.037 -3.706 3.960) 6.761 18.993 ( 6.298 18.247 7.971) 20.884 20.082 ( -7.788 -2.388 13.978) 16.179 21.527 ( -6.079 8.303 -18.793) 21.426 ======================= Grid point 1200 (473/891) ======================= q-point: (-0.14 -0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( 1.122 -1.556 3.026) 3.583 3.345 ( 1.020 -1.571 0.060) 1.874 5.460 ( 14.403 -24.704 -24.604) 37.723 9.898 ( 19.033 -27.649 4.363) 33.849 10.378 ( -1.056 9.461 10.839) 14.426 13.519 ( 19.823 -42.124 0.738) 46.561 13.841 ( 23.814 -3.154 -1.679) 24.081 15.020 ( -13.267 -17.859 -2.308) 22.367 15.851 ( -1.221 -2.111 4.286) 4.932 19.242 ( -3.658 19.793 5.076) 20.758 19.998 ( 0.788 -6.481 14.588) 15.982 21.451 ( -7.821 10.637 -18.184) 22.471 ======================= Grid point 1218 (474/891) ======================= q-point: (-0.29 -0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( 0.000 -1.398 5.532) 5.706 3.341 ( -0.000 -2.855 -3.212) 4.297 5.656 ( -0.000 -24.936 -20.785) 32.463 8.917 ( 0.000 -30.024 2.628) 30.139 10.320 ( 0.000 27.000 10.204) 28.864 12.181 ( 0.000 6.413 5.082) 8.183 14.388 ( 0.000 -50.178 -2.000) 50.217 15.878 ( 0.000 -12.250 -2.176) 12.442 16.191 ( -0.000 -5.105 -2.720) 5.784 18.574 ( 0.000 4.796 15.368) 16.099 20.312 ( 0.000 7.309 11.530) 13.652 21.673 ( -0.000 5.181 -18.752) 19.455 ======================= Grid point 1219 (475/891) ======================= q-point: (-0.24 -0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 0.157 -1.976 5.995) 6.314 3.309 ( 0.921 -3.319 -3.022) 4.582 5.364 ( 2.924 -26.911 -24.640) 36.605 8.767 ( 17.630 -33.965 2.923) 38.379 10.559 ( -6.582 27.565 12.239) 30.870 12.382 ( 14.674 5.844 4.773) 16.501 13.867 ( 0.024 -55.044 -2.345) 55.094 15.721 ( -2.678 -15.165 -3.373) 15.765 16.090 ( -4.529 -6.104 -1.500) 7.747 18.726 ( 5.848 8.618 13.752) 17.251 20.348 ( -5.152 1.718 12.628) 13.746 21.667 ( -2.152 8.548 -19.294) 21.212 ======================= Grid point 1220 (476/891) ======================= q-point: (-0.19 -0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( 0.487 -2.624 5.043) 5.706 3.294 ( 1.841 -3.266 -1.282) 3.962 5.105 ( 6.805 -28.018 -27.510) 39.851 8.838 ( 30.126 -38.005 3.063) 48.594 10.714 ( -10.341 27.168 13.702) 32.137 12.761 ( 22.885 -1.327 4.157) 23.298 13.360 ( 4.905 -50.805 -2.960) 51.127 15.449 ( -8.845 -19.521 -4.718) 21.945 15.951 ( -4.630 -4.866 1.387) 6.858 19.008 ( 10.792 12.963 9.965) 19.591 20.248 ( -9.473 -4.030 13.228) 16.762 21.656 ( -4.294 11.288 -18.539) 22.126 ======================= Grid point 1221 (477/891) ======================= q-point: (-0.14 -0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( 1.114 -3.135 2.916) 4.424 3.300 ( 2.226 -2.715 1.486) 3.813 4.906 ( 11.821 -28.231 -28.910) 42.101 9.002 ( 33.291 -42.959 3.248) 54.445 10.827 ( -12.112 27.030 14.141) 32.822 12.782 ( 13.647 -51.656 -0.772) 53.433 13.394 ( 25.663 -1.840 -0.076) 25.729 15.046 ( -12.776 -20.431 -3.959) 24.420 15.862 ( -1.965 -3.433 2.912) 4.911 19.360 ( 10.355 15.795 5.823) 19.764 20.051 ( -9.926 -8.564 13.551) 18.854 21.634 ( -6.364 12.864 -17.034) 22.274 ======================= Grid point 1240 (478/891) ======================= q-point: (-0.24 -0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( 0.000 -3.025 7.430) 8.022 3.252 ( -0.000 -4.393 -3.649) 5.711 4.994 ( -0.000 -28.954 -28.435) 40.582 8.285 ( 0.000 -36.561 3.145) 36.696 10.917 ( 0.000 26.047 14.548) 29.835 12.323 ( 0.000 5.121 4.916) 7.098 13.298 ( 0.000 -59.547 -3.568) 59.653 15.583 ( 0.000 -16.498 -3.594) 16.885 16.061 ( -0.000 -6.566 -2.898) 7.177 18.795 ( 0.000 9.579 12.988) 16.139 20.422 ( 0.000 -3.195 12.879) 13.269 21.730 ( -0.000 11.601 -18.625) 21.942 ======================= Grid point 1241 (479/891) ======================= q-point: (-0.19 -0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( -0.105 -4.564 4.716) 6.563 3.218 ( 2.161 -4.807 0.143) 5.273 4.653 ( 3.580 -29.944 -31.375) 43.518 8.074 ( 16.851 -39.078 3.195) 42.676 11.135 ( -5.579 20.204 16.964) 26.965 12.454 ( 7.701 -10.132 3.596) 13.225 12.774 ( 7.877 -43.574 -4.450) 44.504 15.364 ( -4.807 -19.245 -4.372) 20.312 15.961 ( -2.832 -6.456 -1.743) 7.262 18.996 ( 7.357 12.329 9.405) 17.164 20.359 ( -5.549 -7.457 12.997) 15.979 21.782 ( -2.314 13.387 -16.887) 21.674 ======================= Grid point 1242 (480/891) ======================= q-point: (-0.14 -0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( 1.187 -5.511 1.245) 5.774 3.225 ( 3.305 -5.058 4.856) 7.751 4.368 ( 8.106 -29.945 -33.012) 45.301 8.078 ( 27.925 -41.995 3.150) 50.530 11.238 ( -4.320 8.727 19.214) 21.541 12.122 ( 2.132 -45.412 -5.774) 45.828 12.971 ( 23.592 0.640 1.367) 23.641 15.024 ( -10.028 -21.396 -4.483) 24.051 15.859 ( -1.890 -5.288 0.274) 5.623 19.315 ( 12.236 14.370 4.766) 19.466 20.176 ( -10.061 -10.276 13.145) 19.484 21.812 ( -4.608 13.948 -14.850) 20.888 ======================= Grid point 1262 (481/891) ======================= q-point: (-0.19 -0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( -0.000 -6.709 -3.877) 7.749 3.150 ( 0.000 -7.259 9.977) 12.338 4.238 ( -0.000 -29.993 -34.332) 45.588 7.556 ( 0.000 -40.224 3.190) 40.351 11.282 ( 0.000 -16.483 19.716) 25.698 12.250 ( -0.000 -27.506 -8.156) 28.690 12.430 ( 0.000 3.125 4.838) 5.760 15.204 ( 0.000 -20.350 -4.251) 20.789 15.908 ( -0.000 -7.478 -3.085) 8.089 19.079 ( 0.000 13.933 5.880) 15.123 20.358 ( 0.000 -10.159 13.567) 16.950 21.891 ( -0.000 14.107 -14.579) 20.286 ======================= Grid point 1263 (482/891) ======================= q-point: (-0.14 -0.19 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( 1.175 -8.310 -1.892) 8.604 3.115 ( 3.190 -11.083 8.967) 14.609 3.889 ( 3.604 -27.588 -35.437) 45.054 7.310 ( 15.913 -41.365 3.025) 44.424 10.957 ( 5.858 -60.953 12.989) 62.596 12.083 ( -10.385 12.421 -0.613) 16.202 12.648 ( 17.165 2.865 2.913) 17.644 14.937 ( -5.853 -22.156 -4.264) 23.309 15.819 ( -0.747 -7.107 -2.235) 7.488 19.296 ( 7.424 15.356 0.570) 17.066 20.243 ( -5.706 -11.532 14.695) 19.532 21.969 ( -2.454 13.868 -12.270) 18.679 ======================= Grid point 1284 (483/891) ======================= q-point: (-0.14 -0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( 0.000 -12.417 -2.329) 12.633 2.941 ( 0.000 -21.615 4.343) 22.047 3.539 ( -0.000 -18.712 -30.202) 35.528 6.785 ( 0.000 -40.764 2.766) 40.858 10.242 ( 0.000 -77.133 7.599) 77.506 12.398 ( -0.000 22.458 1.983) 22.545 12.499 ( 0.000 1.317 4.773) 4.951 14.757 ( 0.000 -23.142 -3.754) 23.445 15.741 ( -0.000 -7.824 -3.254) 8.474 19.379 ( -0.000 16.182 -5.688) 17.152 20.225 ( 0.000 -11.406 17.427) 20.828 22.089 ( -0.000 13.145 -9.751) 16.366 ======================= Grid point 1395 (484/891) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 0.000 -0.000 27.777) 27.777 0.697 ( 0.000 -0.000 27.777) 27.777 2.696 ( 0.000 -0.000 105.010) 105.010 4.400 ( -0.000 0.000 -14.450) 14.450 4.400 ( -0.000 0.000 -14.450) 14.450 12.611 ( 0.000 -0.000 5.797) 5.797 12.611 ( 0.000 -0.000 5.797) 5.797 13.505 ( -0.000 0.000 -35.360) 35.360 15.171 ( -0.000 0.000 -2.879) 2.879 15.171 ( -0.000 0.000 -2.879) 2.879 22.947 ( 0.000 -0.000 15.561) 15.561 25.704 ( -0.000 0.000 -6.202) 6.202 ======================= Grid point 1396 (485/891) ======================= q-point: ( 0.19 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 28.804 16.630 19.522) 38.566 1.561 ( 44.089 25.455 18.237) 54.078 3.049 ( 6.197 3.578 100.638) 100.892 4.435 ( 7.307 4.219 -15.826) 17.935 4.655 ( 26.330 15.202 -17.710) 35.185 12.644 ( 3.045 1.758 1.049) 3.669 12.670 ( 1.890 1.091 7.106) 7.434 13.415 ( 1.794 1.036 -34.243) 34.306 15.157 ( 1.003 0.579 -3.868) 4.037 16.309 ( 70.933 40.953 -48.493) 95.185 22.931 ( -6.635 -3.831 16.784) 18.450 24.288 ( -85.358 -49.281 53.711) 112.248 ======================= Grid point 1397 (486/891) ======================= q-point: ( 0.24 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 27.714 16.001 15.052) 35.365 2.347 ( 21.127 12.198 22.716) 33.334 3.520 ( 10.911 6.299 84.537) 85.470 4.653 ( 16.767 9.680 -16.495) 25.435 5.530 ( 56.099 32.389 -14.764) 66.439 12.659 ( -1.852 -1.069 -17.499) 17.629 12.733 ( 1.760 1.016 7.630) 7.896 13.474 ( 11.718 6.765 -17.608) 22.206 15.194 ( 3.294 1.902 -4.286) 5.731 17.470 ( 45.413 26.219 -48.798) 71.631 22.508 ( -43.208 -24.946 34.396) 60.599 23.153 ( -22.714 -13.114 35.387) 44.047 ======================= Grid point 1398 (487/891) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 19.138 11.049 12.187) 25.236 2.738 ( 10.689 6.171 19.003) 22.660 3.981 ( 10.999 6.350 73.809) 74.893 5.102 ( 27.350 15.790 -15.310) 35.096 6.959 ( 71.823 41.467 -9.558) 83.483 12.452 ( -9.514 -5.493 -31.850) 33.692 12.789 ( 1.374 0.793 7.342) 7.512 13.821 ( 20.326 11.735 -2.859) 23.644 15.277 ( 5.177 2.989 -4.078) 7.236 18.131 ( 25.709 14.843 -34.060) 45.181 21.639 ( -37.696 -21.764 26.350) 50.882 22.940 ( -9.713 -5.608 22.609) 25.238 ======================= Grid point 1399 (488/891) ======================= q-point: ( 0.33 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 11.235 6.487 8.979) 15.777 2.975 ( 7.378 4.260 9.107) 12.471 4.455 ( 13.674 7.894 69.904) 71.665 5.763 ( 34.633 19.995 -12.570) 41.920 8.579 ( 73.954 42.697 -6.981) 85.679 12.087 ( -14.323 -8.269 -34.541) 38.296 12.833 ( 0.715 0.413 6.387) 6.441 14.306 ( 22.202 12.819 2.486) 25.757 15.398 ( 6.433 3.714 -3.353) 8.150 18.459 ( 11.139 6.431 -22.278) 25.724 21.013 ( -22.801 -13.164 10.143) 28.215 22.781 ( -10.230 -5.907 20.150) 23.357 ======================= Grid point 1400 (489/891) ======================= q-point: ( 0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.022 ( 6.591 3.805 6.327) 9.897 3.128 ( 5.095 2.942 2.009) 6.217 4.987 ( 16.909 9.762 64.009) 66.921 6.538 ( 36.893 21.300 -9.884) 43.732 10.163 ( 67.941 39.225 -7.906) 78.848 11.644 ( -15.750 -9.093 -30.128) 35.191 12.854 ( -0.293 -0.169 4.961) 4.972 14.795 ( 20.345 11.746 4.310) 23.885 15.541 ( 7.007 4.045 -2.298) 8.411 18.525 ( 0.616 0.356 -17.017) 17.032 20.677 ( -9.086 -5.246 -0.235) 10.494 22.591 ( -11.803 -6.815 18.665) 23.112 ======================= Grid point 1401 (490/891) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( 4.103 2.369 4.577) 6.588 3.221 ( 3.237 1.869 -1.240) 3.938 5.558 ( 18.958 10.945 55.019) 59.214 7.327 ( 35.546 20.523 -7.803) 41.781 10.904 ( -12.662 -7.310 -32.429) 35.572 11.860 ( 54.952 31.727 -0.167) 63.454 12.844 ( -1.703 -0.983 3.192) 3.749 15.225 ( 17.076 9.859 4.140) 20.148 15.693 ( 6.952 4.014 -1.080) 8.100 18.442 ( -2.581 -1.490 -17.424) 17.677 20.565 ( -1.575 -0.909 -3.841) 4.250 22.358 ( -13.621 -7.864 17.528) 23.550 ======================= Grid point 1402 (491/891) ======================= q-point: ( 0.48 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( 2.619 1.512 3.497) 4.623 3.272 ( 1.904 1.099 -2.283) 3.169 6.129 ( 19.423 11.214 44.241) 49.601 8.063 ( 31.853 18.390 -6.078) 37.279 10.349 ( -24.612 -14.210 -27.227) 39.357 12.794 ( -3.391 -1.958 1.101) 4.067 13.151 ( 55.295 31.924 1.434) 63.865 15.587 ( 14.859 8.579 2.177) 17.295 15.841 ( 6.341 3.661 0.180) 7.324 18.347 ( -0.960 -0.554 -18.619) 18.652 20.543 ( -0.038 -0.022 -4.740) 4.740 22.085 ( -15.061 -8.695 16.854) 24.218 ======================= Grid point 1403 (492/891) ======================= q-point: ( 0.52 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.294 ( 1.571 0.907 2.831) 3.363 3.298 ( 1.077 0.622 -2.402) 2.705 6.658 ( 17.869 10.317 32.086) 38.148 8.700 ( 26.281 15.173 -4.322) 30.653 9.716 ( -25.134 -14.511 -20.635) 35.610 12.700 ( -4.928 -2.845 -1.373) 5.854 14.259 ( 42.275 24.407 3.592) 48.946 15.922 ( 15.639 9.029 -1.516) 18.122 15.973 ( 5.222 3.015 1.398) 6.189 18.298 ( 1.124 0.649 -17.531) 17.579 20.515 ( -1.415 -0.817 -6.148) 6.362 21.792 ( -15.078 -8.705 16.831) 24.216 ======================= Grid point 1404 (493/891) ======================= q-point: ( 0.57 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( 0.666 0.384 -2.258) 2.385 3.326 ( 0.714 0.412 2.417) 2.553 7.067 ( 11.023 6.364 16.807) 21.083 9.165 ( -18.410 -10.629 -10.826) 23.856 9.197 ( 18.683 10.787 -2.235) 21.689 12.573 ( -5.514 -3.183 -4.270) 7.666 15.015 ( 23.786 13.733 6.764) 28.286 16.078 ( 3.649 2.107 2.492) 4.895 16.279 ( 16.415 9.477 -6.813) 20.142 18.304 ( 3.678 2.123 -13.193) 13.860 20.439 ( -3.281 -1.894 -9.065) 9.825 21.525 ( -12.754 -7.364 17.236) 22.671 ======================= Grid point 1405 (494/891) ======================= q-point: ( 0.62 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.317 ( 0.555 0.320 -2.149) 2.242 3.340 ( -0.070 -0.040 2.162) 2.164 7.143 ( -7.764 -4.482 -2.401) 9.281 8.947 ( 1.688 0.975 3.802) 4.273 9.503 ( 8.624 4.979 0.162) 9.960 12.444 ( -4.188 -2.418 -7.376) 8.820 15.379 ( 7.631 4.406 9.092) 12.662 16.147 ( 1.731 0.999 3.390) 3.935 16.526 ( 5.878 3.393 -11.820) 13.630 18.410 ( 8.401 4.850 -6.102) 11.460 20.341 ( -1.791 -1.034 -12.879) 13.044 21.330 ( -9.137 -5.275 17.248) 20.220 ======================= Grid point 1406 (495/891) ======================= q-point: (-0.33 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.323 ( 0.610 0.352 -2.219) 2.328 3.335 ( -0.854 -0.493 2.025) 2.252 6.750 ( -23.283 -13.443 -10.995) 29.047 9.225 ( 19.140 11.051 9.379) 24.009 9.566 ( -3.482 -2.011 2.174) 4.571 12.360 ( -0.928 -0.536 -9.871) 9.929 15.422 ( -6.449 -3.724 9.506) 12.076 16.173 ( -0.348 -0.201 4.032) 4.052 16.444 ( -9.076 -5.240 -12.286) 16.149 18.611 ( 9.150 5.283 -1.672) 10.697 20.334 ( 5.550 3.204 -15.815) 17.064 21.208 ( -6.187 -3.572 16.726) 18.188 ======================= Grid point 1407 (496/891) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( -1.709 -0.987 1.993) 2.804 3.331 ( 0.654 0.377 -2.611) 2.718 6.124 ( -29.176 -16.845 -9.624) 35.038 9.361 ( -15.258 -8.809 2.856) 17.849 9.771 ( 26.539 15.322 7.022) 31.438 12.348 ( 2.283 1.318 -10.762) 11.080 15.100 ( -25.471 -14.705 6.349) 30.089 16.143 ( -13.488 -7.787 -6.436) 16.852 16.155 ( -2.362 -1.364 4.389) 5.167 18.769 ( 5.528 3.192 -2.702) 6.931 20.490 ( 11.110 6.414 -15.867) 20.404 21.151 ( -2.630 -1.519 16.034) 16.319 ======================= Grid point 1408 (497/891) ======================= q-point: (-0.24 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.269 ( -2.727 -1.575 2.077) 3.773 3.335 ( 0.427 0.247 -3.651) 3.685 5.419 ( -31.952 -18.447 -4.110) 37.123 8.920 ( -24.446 -14.114 2.215) 28.315 10.416 ( 29.416 16.983 2.839) 34.085 12.388 ( 3.608 2.083 -10.086) 10.912 14.330 ( -43.535 -25.135 3.117) 50.367 15.839 ( -13.211 -7.627 -0.339) 15.258 16.094 ( -4.106 -2.371 4.465) 6.513 18.861 ( 4.230 2.442 -4.794) 6.844 20.647 ( 4.526 2.613 -11.891) 12.988 21.224 ( 6.475 3.738 12.402) 14.481 ======================= Grid point 1409 (498/891) ======================= q-point: (-0.19 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( -4.061 -2.345 2.322) 5.233 3.322 ( -0.612 -0.353 -6.252) 6.291 4.689 ( -33.265 -19.206 5.438) 38.795 8.304 ( -30.717 -17.734 0.882) 35.480 11.069 ( 28.177 16.268 -3.056) 32.679 12.440 ( 3.240 1.871 -8.572) 9.353 13.233 ( -54.188 -31.286 3.863) 62.690 15.530 ( -15.074 -8.703 2.237) 17.549 15.999 ( -5.448 -3.145 4.288) 7.613 18.954 ( 5.724 3.305 -4.596) 8.051 20.619 ( -3.609 -2.084 -8.405) 9.381 21.482 ( 12.657 7.307 8.065) 16.693 ======================= Grid point 1410 (499/891) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( -5.995 -3.461 2.818) 7.474 3.247 ( -5.048 -2.915 -12.351) 13.657 3.998 ( -30.729 -17.741 21.688) 41.586 7.573 ( -34.380 -19.849 -0.780) 39.707 11.436 ( -14.248 -8.226 -16.613) 23.381 12.161 ( -22.531 -13.008 12.630) 28.920 12.479 ( 2.162 1.248 -6.736) 7.184 15.172 ( -17.790 -10.271 3.276) 20.802 15.878 ( -6.339 -3.660 3.883) 8.286 19.110 ( 9.397 5.425 -1.085) 10.904 20.464 ( -7.542 -4.354 -11.243) 14.221 21.794 ( 12.792 7.386 8.052) 16.823 ======================= Grid point 1417 (500/891) ======================= q-point: ( 0.19 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 0.000 32.799 20.906) 38.895 1.605 ( 0.000 50.722 18.052) 53.839 3.329 ( 0.000 5.345 101.219) 101.360 4.398 ( -0.000 8.888 -17.086) 19.259 4.589 ( -0.000 29.313 -18.773) 34.809 12.603 ( 0.000 -2.146 5.552) 5.952 12.728 ( -0.000 5.409 -0.137) 5.411 13.321 ( -0.000 4.410 -34.135) 34.418 15.215 ( -0.000 4.466 -2.486) 5.111 16.160 ( -0.000 79.399 -43.173) 90.377 22.979 ( 0.000 -7.575 17.783) 19.329 24.398 ( 0.000 -95.956 43.886) 105.516 ======================= Grid point 1418 (501/891) ======================= q-point: ( 0.24 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 15.765 30.071 17.577) 38.233 2.248 ( 16.267 26.520 18.798) 36.350 3.712 ( 4.574 7.648 92.446) 92.874 4.525 ( 8.028 15.236 -17.899) 24.839 5.146 ( 29.195 47.474 -17.257) 58.343 12.607 ( -0.204 -3.139 -10.121) 10.598 12.754 ( 2.135 1.995 -1.869) 3.469 13.350 ( 4.355 11.521 -18.709) 22.400 15.226 ( -2.188 6.918 -3.173) 7.919 17.062 ( 30.721 56.348 -46.964) 79.527 22.791 ( -16.380 -30.729 25.009) 42.872 23.430 ( -23.857 -47.888 42.316) 68.213 ======================= Grid point 1419 (502/891) ======================= q-point: ( 0.29 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 15.123 20.918 14.590) 29.650 2.682 ( 10.354 9.112 17.675) 22.419 4.121 ( 6.472 7.714 80.098) 80.728 4.879 ( 17.759 23.962 -16.974) 34.317 6.337 ( 53.644 57.120 -11.176) 79.154 12.425 ( -6.475 -7.490 -32.224) 33.711 12.848 ( 1.821 5.634 6.280) 8.631 13.594 ( 14.778 12.016 -5.531) 19.834 15.275 ( 0.522 7.902 -3.274) 8.569 17.846 ( 23.764 35.018 -36.518) 55.897 21.994 ( -31.361 -44.233 29.492) 61.724 23.078 ( -7.936 -10.943 23.926) 27.480 ======================= Grid point 1420 (503/891) ======================= q-point: ( 0.33 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 9.670 11.659 10.944) 18.687 2.926 ( 7.078 4.543 11.109) 13.934 4.546 ( 9.339 8.769 73.627) 74.733 5.476 ( 25.802 31.594 -14.199) 43.192 7.859 ( 64.003 54.993 -7.418) 84.709 12.098 ( -10.249 -9.994 -37.210) 39.868 12.932 ( -2.550 9.268 6.238) 11.459 14.010 ( 22.927 8.217 0.206) 24.356 15.372 ( 2.624 8.076 -2.645) 8.894 18.334 ( 12.058 21.983 -24.353) 34.953 21.226 ( -22.950 -31.416 14.897) 41.660 22.920 ( -7.975 -8.756 20.429) 23.614 ======================= Grid point 1421 (504/891) ======================= q-point: ( 0.38 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( 6.090 5.459 7.394) 11.025 3.086 ( 4.908 3.757 4.644) 7.731 5.021 ( 12.672 10.076 67.699) 69.608 6.234 ( 29.257 35.355 -11.066) 47.206 9.435 ( 65.260 48.230 -6.488) 81.407 11.694 ( -12.952 -10.948 -35.270) 39.135 12.977 ( -5.491 10.787 4.852) 13.041 14.488 ( 25.543 4.641 2.671) 26.098 15.496 ( 3.978 7.051 -1.765) 8.286 18.542 ( -0.174 12.815 -16.205) 20.660 20.727 ( -10.126 -18.945 2.104) 21.584 22.744 ( -9.474 -9.149 18.634) 22.818 ======================= Grid point 1422 (505/891) ======================= q-point: ( 0.43 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( 4.441 2.239 4.374) 6.623 3.193 ( 2.956 3.283 1.245) 4.590 5.537 ( 15.280 10.771 59.395) 62.268 7.044 ( 28.764 36.055 -8.565) 46.912 10.731 ( 30.101 16.207 -22.324) 40.830 11.438 ( 16.372 12.601 -14.201) 25.070 12.984 ( -7.598 10.890 2.994) 13.612 14.951 ( 24.161 2.691 3.608) 24.577 15.625 ( 5.064 4.490 -1.175) 6.869 18.518 ( -7.847 7.809 -14.329) 18.107 20.515 ( 0.257 -9.798 -3.964) 10.573 22.529 ( -11.269 -9.959 17.238) 22.876 ======================= Grid point 1423 (506/891) ======================= q-point: ( 0.48 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( 3.419 0.605 1.882) 3.950 3.261 ( 1.526 2.731 0.439) 3.159 6.064 ( 16.644 10.603 48.981) 52.807 7.825 ( 25.708 34.957 -6.618) 43.894 10.485 ( -18.447 -15.539 -30.618) 38.977 12.532 ( 55.330 34.925 0.952) 65.438 12.953 ( -8.532 11.128 0.945) 14.055 15.365 ( 20.746 3.278 3.341) 21.267 15.744 ( 6.437 0.944 -1.105) 6.599 18.402 ( -8.139 6.736 -15.740) 18.957 20.470 ( 3.703 -6.003 -5.191) 8.757 22.273 ( -12.974 -10.656 16.235) 23.355 ======================= Grid point 1424 (507/891) ======================= q-point: ( 0.52 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( 2.453 -0.143 -0.290) 2.474 3.304 ( 0.729 2.075 1.148) 2.481 6.563 ( 16.461 9.480 36.976) 41.570 8.528 ( 20.789 32.570 -4.845) 38.942 9.901 ( -22.153 -16.458 -23.947) 36.539 12.855 ( -10.668 8.264 -1.513) 13.579 13.762 ( 48.427 29.409 3.116) 56.743 15.734 ( 16.939 6.524 0.751) 18.168 15.858 ( 8.728 -2.150 -0.384) 8.997 18.304 ( -5.145 5.388 -16.140) 17.776 20.459 ( 2.709 -5.316 -5.783) 8.309 21.987 ( -13.858 -10.699 15.816) 23.593 ======================= Grid point 1425 (508/891) ======================= q-point: ( 0.57 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( 1.542 -0.233 -1.604) 2.238 3.334 ( 0.351 1.245 1.877) 2.280 6.981 ( 13.025 6.541 22.674) 26.955 9.100 ( 12.800 25.193 -3.414) 28.464 9.344 ( -18.531 -9.865 -14.504) 25.516 12.729 ( -12.078 7.281 -4.127) 14.694 14.708 ( 33.678 18.888 6.388) 39.138 15.943 ( 8.766 -3.447 -2.711) 9.802 16.127 ( 16.306 11.219 -0.573) 19.800 18.244 ( -0.842 1.584 -14.006) 14.120 20.413 ( -0.038 -5.264 -7.674) 9.306 21.706 ( -12.902 -9.614 16.048) 22.725 ======================= Grid point 1426 (509/891) ======================= q-point: ( 0.62 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( 1.000 -0.134 -2.042) 2.278 3.350 ( -0.069 0.559 2.054) 2.129 7.179 ( 0.215 -1.251 4.239) 4.425 8.958 ( -5.553 -6.565 -1.199) 8.682 9.545 ( 4.317 25.696 -0.747) 26.067 12.580 ( -11.666 7.137 -6.971) 15.350 15.269 ( 15.717 7.707 9.597) 19.963 16.034 ( 7.974 -5.606 -1.516) 9.865 16.482 ( 9.173 14.501 -6.294) 18.277 18.251 ( 7.277 -2.684 -8.882) 11.792 20.321 ( -1.865 -3.742 -10.952) 11.723 21.475 ( -9.972 -7.705 16.516) 20.774 ======================= Grid point 1427 (510/891) ======================= q-point: (-0.33 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( 0.787 -0.093 -2.187) 2.326 3.353 ( -0.643 0.153 1.965) 2.073 6.952 ( -17.825 -10.777 -8.594) 22.533 9.040 ( 14.066 4.026 8.255) 16.799 9.747 ( -6.991 19.455 1.528) 20.729 12.456 ( -8.957 8.631 -9.525) 15.667 15.466 ( 1.365 -1.344 10.313) 10.490 16.090 ( 5.792 -6.311 -0.543) 8.583 16.580 ( -8.170 7.081 -8.808) 13.945 18.406 ( 15.643 -2.842 -3.577) 16.296 20.254 ( 1.312 0.508 -14.398) 14.467 21.317 ( -6.728 -6.033 16.723) 19.008 ======================= Grid point 1428 (511/891) ======================= q-point: (-0.29 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.309 ( 0.543 -0.359 -2.021) 2.124 3.344 ( -1.215 0.153 1.398) 1.859 6.416 ( -26.636 -14.482 -8.722) 31.548 9.457 ( 22.309 7.629 6.939) 24.577 9.692 ( -16.930 13.117 2.798) 21.598 12.406 ( -5.173 11.407 -10.697) 16.471 15.331 ( -14.666 -11.240 7.742) 20.034 16.093 ( 1.830 -6.829 -0.876) 7.124 16.357 ( -15.948 -1.436 -3.678) 16.430 18.633 ( 12.819 -0.350 -3.357) 13.256 20.322 ( 8.902 4.432 -15.986) 18.827 21.223 ( -3.849 -4.609 16.924) 17.958 ======================= Grid point 1429 (512/891) ======================= q-point: (-0.24 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( -1.148 -1.228 0.310) 1.709 3.330 ( -0.673 0.696 -1.750) 2.000 5.771 ( -30.595 -15.417 -3.202) 34.409 9.331 ( -29.217 3.819 2.159) 29.544 10.062 ( 29.289 11.478 2.752) 31.578 12.434 ( -2.981 13.711 -10.066) 17.269 14.772 ( -34.605 -21.576 3.486) 40.929 15.955 ( -9.663 -8.493 -1.672) 12.973 16.141 ( -5.147 -4.240 4.193) 7.877 18.794 ( 6.733 3.337 -6.020) 9.629 20.497 ( 10.590 2.544 -15.121) 18.635 21.213 ( 1.545 -1.423 16.791) 16.922 ======================= Grid point 1430 (513/891) ======================= q-point: (-0.19 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( -3.077 -1.578 1.769) 3.885 3.317 ( -0.779 0.437 -4.923) 5.003 5.093 ( -32.715 -15.384 6.036) 36.652 8.786 ( -37.157 -1.093 0.699) 37.179 10.687 ( 31.504 10.779 -2.616) 33.400 12.497 ( -3.129 14.357 -8.427) 16.939 13.826 ( -49.023 -27.856 2.590) 56.444 15.668 ( -12.625 -11.217 2.250) 17.038 16.046 ( -3.419 -4.928 3.523) 6.956 18.913 ( 4.254 7.382 -7.273) 11.202 20.567 ( 2.710 -4.112 -11.709) 12.702 21.370 ( 10.312 3.551 13.712) 17.521 ======================= Grid point 1431 (514/891) ======================= q-point: (-0.14 0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( -4.937 -2.013 2.304) 5.808 3.269 ( -3.271 -0.504 -8.737) 9.343 4.433 ( -32.455 -14.281 19.900) 40.660 8.092 ( -41.787 -4.662 -1.054) 42.059 11.256 ( 24.538 7.208 -11.340) 27.976 12.488 ( -18.800 -4.226 -4.122) 19.705 12.737 ( -38.730 -10.785 3.854) 40.388 15.329 ( -14.351 -14.142 3.716) 20.488 15.942 ( -4.578 -4.723 2.825) 7.159 19.060 ( 5.450 11.058 -5.543) 13.517 20.463 ( -3.409 -8.384 -11.087) 14.312 21.659 ( 13.671 5.139 11.738) 18.737 ======================= Grid point 1439 (515/891) ======================= q-point: ( 0.24 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 0.000 31.743 17.870) 36.427 2.432 ( 0.000 23.200 17.428) 29.017 4.015 ( 0.000 8.296 90.287) 90.667 4.569 ( -0.000 20.034 -19.013) 27.620 5.401 ( -0.000 65.280 -16.026) 67.219 12.591 ( 0.000 -2.207 5.320) 5.760 12.634 ( -0.000 -5.389 -32.553) 32.996 13.461 ( -0.000 20.936 -5.732) 21.707 15.311 ( -0.000 6.755 -2.243) 7.117 17.282 ( -0.000 62.282 -44.445) 76.514 22.612 ( 0.000 -55.482 31.127) 63.618 23.281 ( 0.000 -31.719 31.572) 44.754 ======================= Grid point 1440 (516/891) ======================= q-point: ( 0.29 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 8.158 24.330 15.890) 30.182 2.693 ( 5.033 10.547 15.555) 19.456 4.357 ( 2.184 8.523 81.626) 82.099 4.841 ( 11.341 28.209 -17.536) 35.098 6.270 ( 25.605 73.920 -11.384) 79.053 12.368 ( -7.056 -7.779 -34.083) 35.664 12.740 ( 12.815 -1.362 0.279) 12.890 13.657 ( -1.159 22.900 -0.428) 22.934 15.361 ( -1.217 8.384 -2.315) 8.783 17.840 ( 12.577 47.931 -36.658) 61.639 21.964 ( -15.404 -60.120 29.868) 68.875 23.121 ( -3.626 -13.291 22.817) 26.654 ======================= Grid point 1441 (517/891) ======================= q-point: ( 0.33 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 6.265 13.913 11.898) 19.349 2.894 ( 5.910 5.281 11.440) 13.917 4.723 ( 5.129 9.539 74.631) 75.413 5.388 ( 20.813 37.310 -14.372) 45.076 7.531 ( 42.883 69.826 -7.663) 82.300 12.048 ( -8.548 -9.871 -38.880) 41.014 12.972 ( 11.492 3.448 4.418) 12.785 13.873 ( 3.979 18.117 0.100) 18.549 15.431 ( 0.145 9.067 -1.865) 9.258 18.347 ( 10.238 33.965 -26.092) 44.037 21.228 ( -16.639 -46.984 17.908) 52.963 22.993 ( -5.333 -10.908 20.073) 23.459 ======================= Grid point 1442 (518/891) ======================= q-point: ( 0.38 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( 4.157 4.974 7.435) 9.864 3.066 ( 4.737 5.688 6.806) 10.055 5.136 ( 8.471 10.331 69.103) 70.382 6.139 ( 25.376 43.476 -11.480) 51.632 8.942 ( 51.582 59.496 -6.230) 78.989 11.680 ( -10.404 -10.491 -37.658) 40.453 13.176 ( 1.887 11.354 5.328) 12.683 14.161 ( 15.426 8.385 -0.052) 17.558 15.522 ( 1.307 7.681 -1.170) 7.879 18.667 ( 1.395 23.462 -16.663) 28.810 20.650 ( -9.111 -32.678 4.993) 34.290 22.838 ( -7.177 -11.040 18.347) 22.584 ======================= Grid point 1443 (519/891) ======================= q-point: ( 0.43 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( 3.818 1.871 3.740) 5.663 3.191 ( 2.687 4.469 3.700) 6.394 5.589 ( 11.302 10.504 61.649) 63.551 6.976 ( 25.397 46.286 -8.996) 53.557 10.265 ( 44.807 36.778 -12.371) 59.274 11.359 ( -2.883 0.483 -26.550) 26.710 13.278 ( -7.403 17.061 3.736) 18.970 14.542 ( 24.114 0.790 0.869) 24.142 15.607 ( 2.003 4.425 -1.106) 4.981 18.747 ( -9.136 15.774 -11.435) 21.518 20.342 ( 1.987 -19.746 -3.615) 20.172 22.642 ( -9.037 -11.660 16.866) 22.407 ======================= Grid point 1444 (520/891) ======================= q-point: ( 0.48 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( 3.351 0.669 1.254) 3.640 3.269 ( 1.414 3.213 2.132) 4.107 6.055 ( 13.196 9.909 51.954) 54.511 7.809 ( 22.505 46.855 -7.031) 52.453 10.490 ( -9.497 -13.717 -31.671) 35.796 12.016 ( 47.770 39.913 -0.517) 62.252 13.289 ( -12.533 18.837 1.313) 22.664 14.970 ( 26.741 -1.781 2.042) 26.878 15.668 ( 2.936 0.720 -2.117) 3.690 18.646 ( -13.684 12.180 -11.241) 21.493 20.270 ( 7.796 -12.297 -6.019) 15.755 22.406 ( -10.810 -12.224 15.632) 22.598 ======================= Grid point 1445 (521/891) ======================= q-point: ( 0.52 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( 2.714 0.082 -0.303) 2.732 3.317 ( 0.670 2.213 1.620) 2.823 6.504 ( 13.888 8.525 40.433) 43.593 8.579 ( 17.682 45.468 -5.367) 49.080 10.004 ( -17.737 -16.681 -26.069) 35.672 13.123 ( 14.291 23.994 -0.403) 27.931 13.328 ( 19.531 28.049 1.586) 34.216 15.408 ( 26.197 -0.578 2.666) 26.339 15.714 ( 4.495 -1.821 -3.827) 6.178 18.492 ( -12.981 9.464 -12.091) 20.106 20.284 ( 7.661 -9.667 -6.155) 13.785 22.137 ( -12.091 -12.270 14.804) 22.714 ======================= Grid point 1446 (522/891) ======================= q-point: ( 0.57 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( 2.022 -0.152 -1.250) 2.382 3.346 ( 0.248 1.381 1.640) 2.158 6.896 ( 12.516 6.044 27.001) 30.368 9.194 ( 6.579 27.681 -6.178) 29.115 9.523 ( -13.628 0.779 -15.203) 20.432 13.082 ( -17.185 16.304 -3.891) 24.006 14.308 ( 40.200 24.293 5.509) 47.292 15.761 ( 7.702 -5.030 -4.873) 10.410 15.866 ( 24.047 5.924 1.361) 24.804 18.325 ( -10.551 3.427 -11.611) 16.059 20.287 ( 4.959 -8.202 -7.026) 11.884 21.858 ( -12.135 -11.424 14.546) 22.121 ======================= Grid point 1447 (523/891) ======================= q-point: ( 0.62 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( 1.418 -0.169 -1.797) 2.295 3.363 ( -0.039 0.715 1.791) 1.929 7.148 ( 5.306 0.847 10.504) 11.798 8.992 ( -9.794 -11.303 -5.805) 16.043 9.829 ( 1.608 42.349 -1.736) 42.415 12.922 ( -17.939 15.282 -6.377) 24.414 15.055 ( 24.473 12.267 9.457) 28.962 15.825 ( 8.182 -5.516 -6.252) 11.682 16.358 ( 22.243 12.805 -0.933) 25.683 18.145 ( -4.912 -6.364 -9.288) 12.284 20.251 ( 1.754 -5.639 -9.343) 11.053 21.605 ( -10.369 -9.821 14.857) 20.608 ======================= Grid point 1448 (524/891) ======================= q-point: ( 0.67 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( 0.997 -0.111 -2.121) 2.346 3.369 ( -0.364 0.272 1.870) 1.924 7.084 ( -10.621 -7.414 -4.699) 13.779 8.892 ( 6.809 -2.278 5.613) 9.114 10.166 ( -8.704 37.891 0.762) 38.885 12.761 ( -15.965 15.776 -8.765) 24.095 15.417 ( 8.002 1.311 10.933) 13.612 15.896 ( 8.706 -5.632 -5.502) 11.738 16.731 ( 2.777 13.385 -3.933) 14.224 18.060 ( 11.952 -13.282 -5.123) 18.588 20.201 ( 0.695 -1.256 -12.480) 12.563 21.411 ( -7.412 -8.245 15.485) 19.045 ======================= Grid point 1449 (525/891) ======================= q-point: (-0.29 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( 0.697 -0.122 -2.356) 2.460 3.367 ( -0.804 0.096 1.771) 1.947 6.679 ( -22.366 -11.741 -7.583) 26.374 9.162 ( 20.373 3.546 6.946) 21.814 10.247 ( -21.806 30.301 2.170) 37.395 12.666 ( -11.553 18.624 -10.121) 24.141 15.425 ( -5.873 -8.462 7.528) 12.758 15.964 ( 6.091 -4.830 -2.366) 8.125 16.625 ( -18.027 -0.976 -2.914) 18.287 18.285 ( 24.021 -6.117 -3.435) 25.025 20.206 ( 4.087 2.920 -15.006) 15.824 21.283 ( -4.441 -7.050 16.325) 18.329 ======================= Grid point 1450 (526/891) ======================= q-point: (-0.24 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( 0.196 -0.368 -2.388) 2.425 3.355 ( -1.266 0.224 1.169) 1.738 6.119 ( -27.874 -12.328 -2.721) 30.600 9.613 ( 23.249 5.510 3.379) 24.131 10.049 ( -29.508 21.493 1.372) 36.532 12.677 ( -7.928 22.220 -9.525) 25.442 15.078 ( -23.272 -17.572 3.393) 29.358 15.964 ( -0.658 -6.012 -1.326) 6.191 16.254 ( -15.318 -9.737 2.316) 18.298 18.614 ( 17.457 2.142 -5.321) 18.375 20.305 ( 8.763 2.632 -15.859) 18.309 21.225 ( -0.672 -5.093 17.441) 18.182 ======================= Grid point 1451 (527/891) ======================= q-point: (-0.19 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( -1.048 -0.877 -1.701) 2.182 3.335 ( -1.597 0.545 -0.724) 1.836 5.513 ( -30.879 -11.622 5.919) 33.520 9.505 ( -40.028 12.259 0.835) 41.871 10.243 ( 29.116 7.486 -2.765) 30.190 12.753 ( -7.429 23.864 -7.700) 26.153 14.335 ( -40.747 -24.215 1.577) 47.425 15.756 ( -11.363 -13.467 2.152) 17.751 16.045 ( -2.720 -6.753 2.094) 7.575 18.870 ( 9.373 8.987 -7.280) 14.887 20.403 ( 6.845 -3.642 -14.603) 16.534 21.288 ( 6.396 -0.857 17.328) 18.491 ======================= Grid point 1452 (528/891) ======================= q-point: (-0.14 0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( -2.923 -1.317 -0.860) 3.319 3.302 ( -2.652 0.590 -3.573) 4.488 4.910 ( -32.054 -10.205 18.016) 38.160 8.856 ( -47.445 7.406 -1.217) 48.035 10.810 ( 31.158 5.740 -8.782) 32.877 12.803 ( -13.026 18.247 -5.806) 23.159 13.335 ( -47.464 -21.250 2.894) 52.084 15.410 ( -12.539 -17.668 4.265) 22.081 15.955 ( -2.405 -5.214 0.356) 5.753 19.082 ( 5.595 14.320 -7.297) 17.018 20.358 ( 0.734 -10.235 -12.472) 16.151 21.510 ( 12.725 2.401 15.438) 20.151 ======================= Grid point 1461 (529/891) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 0.000 21.081 15.296) 26.046 2.785 ( 0.000 7.310 13.009) 14.922 4.656 ( 0.000 8.799 80.194) 80.675 4.980 ( -0.000 33.554 -18.219) 38.181 6.803 ( -0.000 82.926 -9.634) 83.484 12.266 ( -0.000 -8.745 -43.743) 44.609 12.577 ( 0.000 -2.341 5.184) 5.688 13.931 ( -0.000 26.311 3.183) 26.503 15.445 ( -0.000 8.250 -2.171) 8.531 18.109 ( -0.000 46.693 -33.186) 57.284 21.561 ( 0.000 -62.320 26.252) 67.623 23.087 ( 0.000 -12.252 20.829) 24.165 ======================= Grid point 1462 (530/891) ======================= q-point: ( 0.33 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 2.304 11.740 11.533) 16.617 2.901 ( 3.565 6.398 10.693) 12.961 4.973 ( 1.531 9.893 73.841) 74.517 5.415 ( 14.630 39.667 -14.162) 44.588 7.739 ( 18.094 80.862 -7.474) 83.198 11.980 ( -7.357 -9.030 -41.731) 43.326 12.717 ( 15.565 -2.061 2.993) 15.984 14.146 ( -5.503 25.668 3.274) 26.454 15.516 ( -0.454 8.733 -1.938) 8.957 18.491 ( 5.520 37.437 -26.446) 46.167 20.986 ( -7.332 -53.537 18.035) 56.967 23.004 ( -2.626 -11.923 19.229) 22.778 ======================= Grid point 1463 (531/891) ======================= q-point: ( 0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( 2.293 3.015 6.699) 7.696 3.080 ( 3.744 7.678 8.078) 11.757 5.322 ( 4.570 10.391 68.398) 69.334 6.122 ( 24.054 44.947 -11.105) 52.174 8.868 ( 30.071 70.258 -6.549) 76.703 11.641 ( -8.984 -8.223 -38.725) 40.595 13.028 ( 20.433 0.234 3.694) 20.766 14.272 ( -7.181 22.086 1.234) 23.257 15.585 ( -0.362 7.458 -1.337) 7.586 18.828 ( 3.790 27.799 -18.642) 33.685 20.438 ( -6.600 -40.736 7.831) 42.004 22.877 ( -4.907 -12.263 17.763) 22.135 ======================= Grid point 1464 (532/891) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( 2.756 1.623 3.671) 4.869 3.208 ( 2.245 4.968 4.818) 7.275 5.707 ( 7.406 10.088 61.794) 63.049 6.983 ( 26.918 48.693 -8.944) 56.352 9.975 ( 32.259 45.883 -11.321) 57.220 11.362 ( -4.901 3.174 -28.838) 29.423 13.386 ( 15.428 6.597 4.815) 17.456 14.370 ( -0.823 14.238 -1.251) 14.317 15.632 ( -0.420 4.069 -1.323) 4.299 19.018 ( -4.609 20.176 -11.514) 23.683 20.064 ( 1.516 -27.792 -1.545) 27.877 22.704 ( -6.967 -12.808 16.306) 21.874 ======================= Grid point 1465 (533/891) ======================= q-point: ( 0.48 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( 2.810 0.864 1.471) 3.288 3.286 ( 1.207 3.351 2.784) 4.521 6.105 ( 9.543 9.115 52.993) 54.611 7.881 ( 24.799 51.086 -7.234) 57.246 10.374 ( -0.455 -7.657 -29.743) 30.716 11.752 ( 30.388 43.487 -3.720) 53.182 13.643 ( -1.256 17.338 3.742) 17.782 14.560 ( 15.530 2.141 -1.612) 15.760 15.644 ( 0.019 0.605 -2.430) 2.504 18.993 ( -14.149 14.510 -7.965) 21.776 19.947 ( 10.707 -17.711 -6.361) 21.651 22.489 ( -8.823 -13.248 14.923) 21.818 ======================= Grid point 1466 (534/891) ======================= q-point: ( 0.52 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( 2.582 0.363 0.047) 2.608 3.334 ( 0.548 2.259 1.764) 2.918 6.492 ( 10.747 7.503 42.253) 44.240 8.734 ( 19.345 51.117 -5.987) 54.983 10.025 ( -12.229 -15.401 -26.715) 33.173 12.807 ( 41.171 40.677 1.460) 57.895 13.702 ( -14.260 22.830 0.433) 26.920 14.916 ( 27.525 -4.385 0.270) 27.874 15.642 ( 1.437 -0.980 -4.159) 4.509 18.822 ( -17.209 10.275 -7.904) 21.545 19.986 ( 12.426 -12.776 -6.729) 19.050 22.240 ( -10.294 -13.257 13.746) 21.695 ======================= Grid point 1467 (535/891) ======================= q-point: ( 0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( 2.187 0.066 -0.831) 2.340 3.361 ( 0.143 1.417 1.408) 2.003 6.837 ( 10.577 5.223 29.783) 32.034 9.325 ( -1.376 11.912 -12.112) 17.044 9.737 ( -0.998 24.739 -11.483) 27.293 13.560 ( -14.353 24.030 -3.168) 28.169 13.918 ( 34.561 28.800 4.529) 45.215 15.362 ( 29.636 -5.121 0.392) 30.078 15.668 ( 5.073 0.133 -5.072) 7.175 18.576 ( -17.581 3.406 -7.766) 19.519 20.052 ( 10.222 -9.549 -6.840) 15.571 21.973 ( -10.936 -12.582 12.951) 21.110 ======================= Grid point 1468 (536/891) ======================= q-point: ( 0.62 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.238 ( 1.720 -0.046 -1.397) 2.217 3.376 ( -0.086 0.749 1.413) 1.602 7.091 ( 7.081 1.669 15.255) 16.901 9.031 ( -11.494 -13.252 -9.248) 19.831 10.254 ( 3.521 52.949 -2.518) 53.126 13.422 ( -22.234 21.206 -5.641) 31.239 14.756 ( 30.758 17.888 8.322) 36.542 15.623 ( 8.835 -5.244 -7.306) 12.607 15.982 ( 30.297 5.398 0.013) 30.774 18.250 ( -16.868 -7.145 -6.701) 19.506 20.099 ( 6.718 -5.767 -8.094) 11.996 21.714 ( -10.218 -11.313 12.731) 19.861 ======================= Grid point 1469 (537/891) ======================= q-point: ( 0.67 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( 1.267 -0.026 -1.814) 2.213 3.382 ( -0.235 0.264 1.546) 1.585 7.140 ( -3.741 -4.098 0.281) 5.555 8.804 ( -0.442 -7.143 1.840) 7.389 10.738 ( -6.691 51.415 -0.041) 51.848 13.230 ( -21.635 20.279 -7.755) 30.651 15.286 ( 15.242 5.340 11.859) 20.037 15.681 ( 8.086 -4.424 -9.109) 12.959 16.598 ( 29.286 12.196 -1.122) 31.744 17.854 ( -10.858 -20.042 -4.910) 23.317 20.122 ( 3.526 -1.337 -10.377) 11.041 21.493 ( -8.076 -9.978 13.216) 18.424 ======================= Grid point 1470 (538/891) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( 0.867 0.032 -2.179) 2.346 3.382 ( -0.423 -0.008 1.630) 1.684 6.889 ( -16.579 -8.491 -5.794) 19.507 8.901 ( 14.147 -0.837 6.055) 15.411 10.985 ( -20.985 45.167 1.798) 49.836 13.078 ( -17.045 22.039 -9.283) 29.367 15.424 ( -0.421 -6.003 6.812) 9.090 15.787 ( 9.696 -2.457 -3.604) 10.632 16.897 ( -12.687 2.338 -1.383) 12.975 17.717 ( 27.456 -16.621 -3.304) 32.265 20.143 ( 2.453 2.658 -12.970) 13.464 21.329 ( -5.184 -8.987 14.407) 17.754 ======================= Grid point 1471 (539/891) ======================= q-point: (-0.24 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( 0.446 0.016 -2.533) 2.572 3.376 ( -0.737 -0.058 1.508) 1.679 6.444 ( -23.904 -9.055 -2.385) 25.672 9.244 ( 23.402 1.890 3.211) 23.696 10.898 ( -35.814 34.556 1.583) 49.793 13.053 ( -11.255 26.720 -8.829) 30.309 15.235 ( -12.842 -13.209 2.087) 18.541 15.878 ( 4.488 -3.884 -0.339) 5.945 16.453 ( -22.282 -16.669 1.187) 27.852 18.196 ( 32.042 0.155 -4.032) 32.295 20.188 ( 3.772 3.821 -15.074) 16.002 21.231 ( -1.768 -7.734 16.235) 18.070 ======================= Grid point 1472 (540/891) ======================= q-point: (-0.19 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.270 ( -0.232 -0.150 -2.818) 2.831 3.364 ( -1.198 0.085 0.954) 1.534 5.928 ( -27.916 -7.885 5.368) 29.501 9.701 ( 26.420 2.821 -0.982) 26.588 10.500 ( -43.328 23.784 -0.777) 49.433 13.140 ( -9.542 29.902 -6.725) 32.100 14.722 ( -30.210 -19.400 0.358) 35.904 15.794 ( -8.288 -14.355 1.677) 16.660 16.036 ( -6.403 -11.037 1.320) 12.828 18.678 ( 22.199 7.342 -5.377) 23.992 20.237 ( 4.212 -0.299 -15.878) 16.430 21.229 ( 3.582 -4.719 17.908) 18.862 ======================= Grid point 1473 (541/891) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( -1.439 -0.424 -2.917) 3.280 3.342 ( -1.937 0.327 -0.221) 1.977 5.402 ( -30.138 -6.065 15.948) 34.633 9.758 ( -43.165 12.241 -1.050) 44.879 10.335 ( 23.380 5.646 -7.971) 25.338 13.233 ( -12.900 27.910 -4.618) 31.092 13.899 ( -42.594 -19.864 1.083) 47.011 15.433 ( -11.393 -21.580 4.335) 24.785 15.933 ( -1.171 -4.577 -1.876) 5.083 19.054 ( 13.329 13.107 -6.214) 19.700 20.204 ( 1.201 -7.659 -14.662) 16.585 21.371 ( 10.357 -0.857 17.767) 20.583 ======================= Grid point 1483 (542/891) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( 0.000 2.948 7.964) 8.492 2.996 ( 0.000 11.176 10.806) 15.545 5.264 ( 0.000 9.442 72.561) 73.172 5.640 ( -0.000 43.114 -14.439) 45.468 8.374 ( -0.000 81.972 -7.072) 82.277 11.849 ( -0.000 -7.503 -44.189) 44.821 12.557 ( 0.000 -2.801 5.226) 5.929 14.465 ( -0.000 25.952 4.406) 26.324 15.600 ( -0.000 8.985 -2.232) 9.258 18.713 ( -0.000 31.589 -24.552) 40.008 20.586 ( 0.000 -48.858 14.822) 51.056 22.961 ( 0.000 -12.511 18.158) 22.051 ======================= Grid point 1484 (543/891) ======================= q-point: ( 0.38 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 0.973 2.154 5.746) 6.213 3.131 ( 1.794 7.475 7.947) 11.056 5.562 ( 1.418 9.788 66.721) 67.450 6.174 ( 16.354 45.180 -10.985) 49.289 9.211 ( 11.236 72.455 -7.822) 73.737 11.609 ( -6.697 -3.122 -38.826) 39.523 12.691 ( 16.310 -2.820 3.943) 17.015 14.655 ( -7.581 24.555 3.296) 25.910 15.670 ( -1.253 8.142 -2.017) 8.481 18.941 ( 4.614 19.954 -20.720) 29.133 20.170 ( -4.025 -35.415 9.291) 36.834 22.865 ( -2.530 -13.052 16.913) 21.512 ======================= Grid point 1485 (544/891) ======================= q-point: ( 0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( 1.616 1.563 3.599) 4.244 3.238 ( 1.582 4.867 5.057) 7.195 5.879 ( 3.909 9.329 60.176) 61.020 6.962 ( 26.727 46.839 -8.575) 54.606 9.997 ( 14.110 43.328 -14.978) 47.967 11.444 ( -4.164 15.665 -25.609) 30.308 13.031 ( 24.846 -1.920 3.626) 25.183 14.718 ( -12.640 23.036 0.762) 26.287 15.694 ( -2.678 4.591 -2.007) 5.682 19.126 ( 7.248 8.198 -15.956) 19.348 19.841 ( -5.636 -19.169 3.342) 20.258 22.720 ( -4.860 -13.533 15.513) 21.152 ======================= Grid point 1486 (545/891) ======================= q-point: ( 0.48 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( 1.967 1.080 1.839) 2.902 3.309 ( 0.937 3.297 2.953) 4.524 6.207 ( 6.078 8.094 52.148) 53.121 7.886 ( 30.052 48.747 -7.068) 57.700 10.236 ( -0.099 -3.374 -28.430) 28.630 11.817 ( 14.752 49.610 -5.247) 52.022 13.476 ( 27.014 0.473 4.344) 27.365 14.697 ( -13.949 20.094 -2.158) 24.556 15.664 ( -2.653 0.738 -2.924) 4.016 19.236 ( 2.405 3.451 -10.827) 11.615 19.638 ( -1.195 -10.142 -1.920) 10.391 22.531 ( -6.909 -13.814 14.024) 20.862 ======================= Grid point 1487 (546/891) ======================= q-point: ( 0.52 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( 2.072 0.665 0.582) 2.252 3.352 ( 0.390 2.247 1.704) 2.847 6.525 ( 7.544 6.309 42.332) 43.459 8.831 ( 26.547 49.862 -6.296) 56.838 9.970 ( -7.578 -14.065 -26.236) 30.718 12.667 ( 26.745 48.790 0.879) 55.646 13.926 ( 18.259 7.770 4.896) 20.439 14.658 ( -5.759 11.330 -4.543) 13.497 15.620 ( -1.086 -0.579 -4.322) 4.494 19.159 ( -12.629 3.489 -6.231) 14.509 19.626 ( 11.372 -9.243 -5.847) 15.778 22.305 ( -8.575 -13.695 12.551) 20.460 ======================= Grid point 1488 (547/891) ======================= q-point: ( 0.57 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( 1.983 0.348 -0.246) 2.029 3.377 ( 0.011 1.435 1.111) 1.815 6.812 ( 8.061 4.123 30.964) 32.261 9.397 ( -5.537 -0.223 -16.408) 17.318 9.912 ( 15.004 37.909 -8.176) 41.582 13.588 ( 30.616 38.638 2.919) 49.384 14.149 ( -11.236 22.143 0.999) 24.850 14.813 ( 23.499 -5.235 -2.179) 24.174 15.602 ( 1.222 0.060 -5.530) 5.664 18.883 ( -18.324 -2.578 -4.887) 19.139 19.748 ( 13.005 -6.159 -6.350) 15.728 22.055 ( -9.627 -13.056 11.262) 19.748 ======================= Grid point 1489 (548/891) ======================= q-point: ( 0.62 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 1.759 0.165 -0.803) 1.940 3.389 ( -0.205 0.773 0.953) 1.244 7.037 ( 6.728 1.496 18.250) 19.508 9.067 ( -11.730 -13.521 -11.484) 21.267 10.656 ( 12.565 56.025 -3.069) 57.498 14.020 ( -22.956 25.467 -4.525) 34.584 14.465 ( 29.072 24.241 7.028) 38.500 15.234 ( 30.350 -7.174 -1.915) 31.245 15.654 ( 8.639 1.013 -5.248) 10.159 18.476 ( -20.675 -11.453 -3.911) 23.957 19.886 ( 10.455 -2.668 -6.794) 12.750 21.801 ( -9.713 -12.012 10.410) 18.628 ======================= Grid point 1490 (549/891) ======================= q-point: ( 0.67 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( 1.442 0.126 -1.244) 1.909 3.392 ( -0.281 0.254 1.038) 1.105 7.140 ( 0.902 -1.941 5.074) 5.507 8.775 ( -5.704 -9.803 -1.988) 11.514 11.327 ( 1.428 58.150 -0.888) 58.174 13.818 ( -25.703 22.786 -6.476) 34.954 15.089 ( 20.518 10.809 11.110) 25.715 15.487 ( 8.891 -3.996 -8.937) 13.224 16.060 ( 37.788 2.559 -1.549) 37.906 17.952 ( -22.109 -20.533 -2.677) 30.291 20.002 ( 7.028 0.636 -8.038) 10.696 21.564 ( -8.559 -10.940 10.327) 17.308 ======================= Grid point 1491 (550/891) ======================= q-point: ( 0.71 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( 1.065 0.189 -1.670) 1.989 3.391 ( -0.287 -0.104 1.200) 1.238 7.033 ( -9.857 -5.145 -3.074) 11.537 8.715 ( 6.627 -4.478 4.111) 8.993 11.785 ( -14.061 55.737 1.357) 57.500 13.599 ( -22.501 22.041 -8.121) 32.528 15.374 ( 3.534 -3.067 8.320) 9.546 15.579 ( 11.379 -0.753 -6.293) 13.025 16.790 ( 41.314 6.721 -1.657) 41.890 17.336 ( -20.977 -29.615 -1.323) 36.316 20.089 ( 4.008 3.651 -10.069) 11.435 21.367 ( -6.238 -10.202 11.321) 16.467 ======================= Grid point 1492 (551/891) ======================= q-point: (-0.24 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.261 ( 0.635 0.270 -2.118) 2.228 3.387 ( -0.343 -0.284 1.285) 1.360 6.725 ( -18.679 -5.665 -1.943) 19.616 8.909 ( 17.672 -1.266 3.014) 17.971 11.881 ( -34.199 44.712 1.917) 56.324 13.500 ( -13.672 26.722 -8.128) 31.098 15.285 ( -6.366 -9.225 0.116) 11.209 15.740 ( 8.316 -2.727 0.814) 8.789 16.650 ( -24.418 -27.114 0.875) 36.498 17.555 ( 42.456 1.857 -2.743) 42.585 20.152 ( 1.979 5.498 -12.616) 13.903 21.228 ( -2.958 -9.526 13.525) 16.805 ======================= Grid point 1493 (552/891) ======================= q-point: (-0.19 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( 0.095 0.287 -2.570) 2.587 3.381 ( -0.566 -0.292 1.151) 1.315 6.319 ( -23.900 -4.250 4.522) 24.692 9.268 ( 24.931 -0.043 -1.085) 24.955 11.537 ( -48.028 29.193 -0.286) 56.205 13.590 ( -9.440 32.653 -5.527) 34.437 14.973 ( -18.984 -12.958 -1.385) 23.026 15.755 ( -2.174 -13.066 1.603) 13.342 16.060 ( -13.278 -19.559 1.202) 23.671 18.234 ( 35.373 4.745 -3.519) 35.863 20.181 ( 0.049 4.297 -14.979) 15.583 21.173 ( 1.750 -7.625 16.379) 18.152 ======================= Grid point 1494 (553/891) ======================= q-point: (-0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.254 ( -0.705 0.227 -2.935) 3.027 3.368 ( -1.034 -0.155 0.690) 1.253 5.884 ( -27.050 -2.156 13.638) 30.370 9.711 ( 27.890 0.131 -5.419) 28.412 10.898 ( -52.289 16.571 -2.942) 54.931 13.727 ( -11.804 32.547 -2.744) 34.729 14.379 ( -34.647 -14.400 -0.787) 37.529 15.398 ( -10.337 -25.829 3.659) 28.060 15.902 ( -0.668 -3.655 -2.512) 4.485 18.802 ( 26.935 6.977 -4.327) 28.159 20.135 ( -3.007 -0.107 -15.647) 15.934 21.245 ( 7.951 -4.105 18.053) 20.149 ======================= Grid point 1505 (554/891) ======================= q-point: ( 0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( 0.000 1.820 4.568) 4.917 3.204 ( 0.000 5.984 6.595) 8.905 5.826 ( 0.000 8.703 63.622) 64.214 6.438 ( -0.000 45.808 -10.611) 47.021 9.753 ( -0.000 59.361 -12.008) 60.563 11.588 ( -0.000 9.931 -34.099) 35.516 12.525 ( 0.000 -3.814 5.514) 6.704 14.961 ( -0.000 22.551 3.708) 22.853 15.763 ( -0.000 9.092 -2.362) 9.394 18.932 ( -0.000 -0.606 -19.796) 19.805 19.982 ( 0.000 -14.900 7.094) 16.503 22.804 ( 0.000 -13.617 15.811) 20.867 ======================= Grid point 1506 (555/891) ======================= q-point: ( 0.43 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( 0.659 1.534 3.277) 3.677 3.277 ( 0.728 4.354 4.630) 6.397 6.087 ( 1.277 7.971 57.340) 57.906 7.001 ( 17.163 45.312 -8.445) 49.184 10.159 ( 2.203 24.435 -22.688) 33.417 11.695 ( -2.773 38.224 -17.586) 42.167 12.652 ( 16.876 -3.526 4.399) 17.793 15.117 ( -7.140 21.310 2.325) 22.594 15.803 ( -4.310 6.909 -2.631) 8.558 18.871 ( 9.218 -14.650 -16.186) 23.697 19.896 ( -5.807 2.045 2.926) 6.816 22.692 ( -2.529 -13.977 14.460) 20.270 ======================= Grid point 1507 (556/891) ======================= q-point: ( 0.48 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 1.098 1.231 2.085) 2.658 3.335 ( 0.613 3.097 2.805) 4.224 6.346 ( 3.110 6.668 49.694) 50.236 7.810 ( 28.986 44.948 -6.760) 53.909 10.150 ( -3.375 -4.798 -28.987) 29.574 12.157 ( 5.095 55.350 -3.505) 55.694 13.009 ( 26.150 -1.144 3.367) 26.390 15.159 ( -13.298 22.152 0.089) 25.837 15.740 ( -6.470 2.060 -3.788) 7.776 18.894 ( 16.107 -16.425 -12.619) 26.239 19.811 ( -10.864 7.386 0.310) 13.140 22.533 ( -4.843 -14.037 12.881) 19.658 ======================= Grid point 1508 (557/891) ======================= q-point: ( 0.52 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( 1.370 0.911 1.130) 1.996 3.373 ( 0.235 2.176 1.511) 2.660 6.595 ( 4.638 4.810 40.754) 41.298 8.763 ( 33.506 45.266 -5.908) 56.626 9.882 ( -6.844 -13.229 -25.622) 29.636 12.835 ( 13.925 49.937 1.317) 51.859 13.491 ( 29.106 1.799 3.601) 29.383 15.098 ( -19.115 22.271 -2.761) 29.479 15.643 ( -3.795 -0.097 -4.821) 6.137 18.988 ( 15.531 -15.732 -9.616) 24.107 19.679 ( -12.329 7.255 -0.886) 14.333 22.334 ( -6.787 -13.685 11.144) 18.908 ======================= Grid point 1509 (558/891) ======================= q-point: ( 0.57 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 1.498 0.615 0.438) 1.678 3.395 ( -0.116 1.438 0.770) 1.635 6.818 ( 5.530 2.697 30.583) 31.195 9.422 ( -5.573 -3.567 -17.713) 18.909 9.879 ( 29.244 36.329 -6.681) 47.113 13.569 ( 21.357 38.913 3.130) 44.498 14.012 ( 28.144 3.171 4.659) 28.703 14.948 ( -21.219 20.190 -5.451) 29.793 15.594 ( -1.261 1.345 -5.450) 5.753 18.958 ( 0.116 -17.569 -6.110) 18.601 19.604 ( -1.540 5.967 -2.617) 6.695 22.108 ( -8.229 -12.918 9.407) 17.974 ======================= Grid point 1510 (559/891) ======================= q-point: ( 0.62 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( 1.503 0.400 -0.058) 1.557 3.403 ( -0.349 0.810 0.465) 0.997 6.998 ( 5.408 0.584 19.588) 20.329 9.098 ( -11.229 -12.721 -12.628) 21.151 10.831 ( 28.422 50.678 -3.413) 58.204 14.306 ( 25.117 29.861 4.513) 39.280 14.484 ( 17.085 6.701 5.612) 19.191 14.785 ( -11.137 12.224 -7.095) 17.995 15.587 ( 0.487 1.892 -6.452) 6.741 18.624 ( -14.545 -20.710 -3.230) 25.513 19.710 ( 7.618 4.124 -4.160) 9.610 21.867 ( -8.974 -11.915 7.948) 16.902 ======================= Grid point 1511 (560/891) ======================= q-point: ( 0.67 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 1.397 0.308 -0.466) 1.505 3.403 ( -0.435 0.287 0.452) 0.690 7.109 ( 3.021 -1.375 8.603) 9.221 8.788 ( -8.529 -10.252 -4.962) 14.229 11.732 ( 17.817 55.749 -1.833) 58.555 14.472 ( -26.054 23.241 -4.099) 35.154 14.933 ( 15.560 18.782 8.600) 25.862 15.074 ( 34.692 -7.621 -1.129) 35.537 15.636 ( 9.018 0.697 -7.397) 11.684 18.097 ( -20.444 -24.885 -1.597) 32.245 19.873 ( 8.125 4.105 -5.036) 10.403 21.628 ( -8.771 -10.984 7.142) 15.767 ======================= Grid point 1512 (561/891) ======================= q-point: ( 0.71 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.230 ( 1.174 0.344 -0.886) 1.511 3.398 ( -0.385 -0.119 0.603) 0.725 7.102 ( -3.479 -2.799 0.306) 4.475 8.619 ( -0.607 -6.551 1.210) 6.690 12.463 ( 2.326 58.833 0.350) 58.880 14.211 ( -28.040 21.127 -6.109) 35.636 15.290 ( 10.524 2.566 13.075) 16.980 15.363 ( 9.777 -3.742 -9.649) 14.238 16.040 ( 40.231 -3.821 -3.253) 40.543 17.479 ( -22.826 -25.379 -0.149) 34.135 20.023 ( 6.099 5.254 -6.377) 10.270 21.408 ( -7.412 -10.423 7.438) 14.795 ======================= Grid point 1513 (562/891) ======================= q-point: (-0.24 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( 0.823 0.461 -1.373) 1.666 3.392 ( -0.270 -0.393 0.797) 0.929 6.940 ( -12.061 -2.675 -1.142) 12.407 8.657 ( 10.172 -3.688 2.224) 11.046 12.865 ( -23.678 53.138 2.477) 58.227 13.975 ( -18.486 21.248 -7.370) 29.113 15.288 ( -3.207 -5.915 -1.373) 6.867 15.550 ( 11.643 -3.217 2.027) 12.248 16.521 ( 15.269 -33.688 -1.136) 37.004 17.050 ( 7.829 2.061 0.174) 8.098 20.140 ( 3.318 6.834 -8.667) 11.525 21.228 ( -4.726 -10.224 9.343) 14.634 ======================= Grid point 1514 (563/891) ======================= q-point: (-0.19 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( 0.343 0.576 -1.904) 2.019 3.386 ( -0.223 -0.521 0.908) 1.071 6.663 ( -18.621 -0.995 3.453) 18.965 8.881 ( 19.223 -2.341 -0.858) 19.384 12.635 ( -48.633 29.392 0.024) 56.825 14.031 ( -6.810 31.866 -4.069) 32.839 15.116 ( -10.184 -5.662 -3.165) 12.074 15.622 ( 2.976 -14.555 1.955) 14.984 16.075 ( -12.594 -25.485 1.256) 28.455 17.623 ( 39.328 4.145 -2.051) 39.599 20.209 ( -0.294 7.467 -11.937) 14.084 21.118 ( -0.263 -9.468 12.988) 16.075 ======================= Grid point 1515 (564/891) ======================= q-point: (-0.14 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( -0.274 0.639 -2.364) 2.464 3.378 ( -0.383 -0.499 0.817) 1.031 6.334 ( -22.868 1.287 11.017) 25.416 9.231 ( 25.574 -1.989 -5.038) 26.141 11.937 ( -55.236 10.951 -2.751) 56.379 14.210 ( -9.118 29.696 0.139) 31.065 14.790 ( -24.997 -1.250 -3.469) 25.268 15.298 ( -8.522 -29.414 2.710) 30.743 15.872 ( -0.574 -3.380 -1.439) 3.719 18.291 ( 36.659 2.191 -3.266) 36.870 20.195 ( -4.775 5.940 -14.403) 16.295 21.126 ( 5.864 -6.810 16.527) 18.812 ======================= Grid point 1527 (565/891) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( 0.000 1.434 2.751) 3.102 3.321 ( 0.000 3.575 3.624) 5.091 6.303 ( 0.000 6.318 52.740) 53.117 7.260 ( -0.000 44.020 -7.954) 44.733 10.207 ( -0.000 3.334 -28.929) 29.121 12.164 ( -0.000 58.387 -9.278) 59.120 12.469 ( 0.000 -5.436 6.079) 8.155 15.364 ( -0.000 17.311 1.971) 17.423 15.922 ( -0.000 8.677 -2.516) 9.034 18.568 ( -0.000 -19.129 -15.125) 24.386 20.006 ( -0.000 7.401 1.419) 7.536 22.616 ( 0.000 -14.142 13.108) 19.282 ======================= Grid point 1528 (566/891) ======================= q-point: ( 0.48 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( 0.425 1.259 2.150) 2.527 3.363 ( 0.260 2.747 2.344) 3.620 6.504 ( 1.030 4.749 45.902) 46.158 7.808 ( 17.731 42.168 -6.625) 46.222 10.069 ( -3.414 -8.016 -28.990) 30.271 12.501 ( 7.625 7.109 5.193) 11.646 12.813 ( 8.532 50.404 -2.523) 51.183 15.493 ( -3.816 16.224 0.710) 16.682 15.911 ( -9.236 6.500 -3.590) 11.851 18.454 ( 11.391 -16.013 -13.042) 23.585 20.028 ( -5.994 6.631 0.760) 8.971 22.493 ( -2.507 -13.929 11.423) 18.188 ======================= Grid point 1529 (567/891) ======================= q-point: ( 0.52 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 0.717 1.030 1.585) 2.022 3.395 ( 0.113 2.014 1.194) 2.344 6.687 ( 2.293 2.903 37.794) 37.974 8.606 ( 30.963 40.634 -5.502) 51.382 9.803 ( -6.699 -12.360 -24.696) 28.417 12.801 ( 22.454 -0.745 5.710) 23.181 13.445 ( 6.305 53.363 -0.026) 53.734 15.563 ( -8.339 18.844 -0.301) 20.609 15.749 ( -12.268 3.007 -6.048) 14.005 18.528 ( 16.759 -13.806 -10.117) 23.954 19.940 ( -10.681 4.278 0.694) 11.527 22.330 ( -4.758 -13.271 9.434) 16.963 ======================= Grid point 1530 (568/891) ======================= q-point: ( 0.57 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 0.926 0.786 1.116) 1.650 3.412 ( -0.181 1.381 0.400) 1.449 6.847 ( 3.324 0.883 28.853) 29.058 9.415 ( 0.234 1.953 -16.044) 16.164 9.643 ( 29.749 25.217 -7.400) 39.695 13.249 ( 31.515 -4.370 5.177) 32.235 14.034 ( 5.383 46.817 2.760) 47.206 15.496 ( -20.324 18.271 -5.283) 27.836 15.644 ( -2.939 6.118 -3.989) 7.873 18.622 ( 12.884 -17.065 -7.467) 22.649 19.788 ( -10.725 3.576 0.773) 11.332 22.134 ( -6.610 -12.259 7.296) 15.723 ======================= Grid point 1531 (569/891) ======================= q-point: ( 0.62 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( 1.067 0.579 0.744) 1.424 3.418 ( -0.443 0.822 -0.017) 0.934 6.975 ( 3.857 -0.959 19.515) 19.915 9.127 ( -10.409 -11.086 -12.885) 19.931 10.666 ( 41.677 41.031 -3.512) 58.590 13.779 ( 36.789 -7.961 4.369) 37.894 14.533 ( 4.970 35.289 5.986) 36.137 15.327 ( -19.693 21.577 -7.394) 30.133 15.641 ( -5.007 7.999 -4.224) 10.339 18.513 ( -0.946 -24.614 -4.634) 25.064 19.715 ( -2.257 5.430 0.009) 5.881 21.916 ( -7.951 -11.142 5.303) 14.679 ======================= Grid point 1532 (570/891) ======================= q-point: ( 0.67 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.189 ( 1.136 0.463 0.417) 1.296 3.415 ( -0.586 0.335 -0.132) 0.687 7.064 ( 3.460 -2.253 10.538) 11.318 8.831 ( -9.617 -8.880 -6.817) 14.759 11.746 ( 37.918 44.881 -2.601) 58.812 14.331 ( 38.836 -11.993 3.002) 40.756 14.873 ( 0.515 16.062 7.869) 17.894 15.248 ( -17.816 34.658 -4.893) 39.275 15.604 ( -3.878 3.943 -6.998) 8.920 18.111 ( -12.944 -29.587 -2.123) 32.364 19.801 ( 4.986 5.930 -1.111) 7.826 21.686 ( -8.599 -10.193 3.813) 13.870 ======================= Grid point 1533 (571/891) ======================= q-point: ( 0.71 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( 1.108 0.466 0.061) 1.203 3.406 ( -0.579 -0.066 -0.040) 0.584 7.100 ( 1.038 -2.585 3.284) 4.306 8.612 ( -5.908 -6.118 -1.693) 8.672 12.755 ( 27.366 50.029 -1.326) 57.039 14.837 ( 27.240 -9.475 -2.251) 28.928 14.849 ( -12.473 11.140 2.435) 16.900 15.342 ( -6.831 13.403 9.119) 17.592 15.625 ( 7.969 6.294 -10.971) 14.950 17.557 ( -17.259 -28.703 -0.423) 33.495 19.957 ( 6.639 6.078 -2.087) 9.240 21.457 ( -8.318 -9.626 3.216) 13.122 ======================= Grid point 1534 (572/891) ======================= q-point: ( 0.76 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( 0.934 0.577 -0.396) 1.167 3.395 ( -0.438 -0.372 0.176) 0.601 7.058 ( -4.380 -1.515 0.032) 4.635 8.522 ( 1.562 -4.071 0.709) 4.418 13.569 ( 7.164 53.780 1.137) 54.267 14.542 ( -31.333 14.746 -4.267) 34.891 15.199 ( 20.589 -10.232 -6.673) 23.940 15.307 ( 0.532 -7.592 9.594) 12.247 15.885 ( 20.485 -8.062 -2.944) 22.210 17.070 ( -10.988 -15.037 0.553) 18.632 20.116 ( 5.502 7.031 -3.622) 9.635 21.246 ( -6.789 -9.573 4.075) 12.423 ======================= Grid point 1535 (573/891) ======================= q-point: (-0.19 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.252 ( 0.574 0.737 -0.971) 1.348 3.385 ( -0.236 -0.572 0.440) 0.760 6.926 ( -11.206 0.837 2.082) 11.428 8.593 ( 10.938 -3.247 -0.626) 11.427 13.696 ( -45.958 23.016 0.605) 51.403 14.376 ( -1.311 25.492 -2.861) 25.685 15.204 ( -4.062 0.213 -1.608) 4.374 15.366 ( 9.848 -17.892 -0.347) 20.426 15.945 ( 3.075 -18.499 1.506) 18.813 17.100 ( 22.521 1.544 -0.639) 22.583 20.246 ( 2.353 8.467 -6.756) 11.085 21.080 ( -3.247 -9.783 7.353) 12.662 ======================= Grid point 1536 (574/891) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( 0.054 0.871 -1.553) 1.782 3.378 ( -0.117 -0.644 0.633) 0.910 6.723 ( -16.914 3.609 7.815) 18.979 8.811 ( 19.271 -3.246 -4.088) 19.965 12.898 ( -54.321 -2.952 -2.839) 54.475 14.555 ( -5.654 12.790 3.025) 14.308 15.123 ( -1.464 -19.068 1.421) 19.176 15.214 ( -16.127 15.687 -6.087) 23.307 15.848 ( -0.437 -3.351 1.310) 3.625 17.650 ( 38.214 -0.419 -2.365) 38.290 20.301 ( -3.149 8.757 -11.403) 14.718 21.014 ( 3.231 -8.683 12.946) 15.919 ======================= Grid point 1549 (575/891) ======================= q-point: ( 0.48 0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( 0.000 1.172 2.071) 2.380 3.391 ( 0.000 2.266 1.595) 2.771 6.654 ( 0.000 2.641 40.552) 40.638 8.032 ( -0.000 39.632 -6.217) 40.117 9.931 ( -0.000 -10.426 -27.033) 28.974 12.381 ( 0.000 -7.438 6.891) 10.139 13.361 ( -0.000 63.429 -1.370) 63.444 15.648 ( -0.000 11.728 -0.751) 11.752 16.067 ( -0.000 7.757 -2.675) 8.205 18.183 ( -0.000 -11.305 -12.383) 16.768 20.131 ( 0.000 3.386 1.264) 3.614 22.412 ( 0.000 -13.408 9.576) 16.476 ======================= Grid point 1550 (576/891) ======================= q-point: ( 0.52 0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( 0.260 1.010 1.906) 2.173 3.414 ( 0.026 1.733 0.734) 1.882 6.781 ( 0.763 0.629 33.709) 33.724 8.541 ( 18.310 36.850 -5.335) 41.493 9.716 ( -4.357 -11.439 -22.929) 25.992 12.443 ( 13.903 -8.089 6.975) 17.532 13.959 ( 0.482 58.261 0.609) 58.267 15.731 ( -1.688 8.662 -2.576) 9.193 16.041 ( -10.274 9.505 -3.198) 14.357 18.157 ( 10.231 -7.906 -9.873) 16.269 20.102 ( -5.594 -0.196 1.923) 5.919 22.290 ( -2.454 -12.437 7.333) 14.645 ======================= Grid point 1551 (577/891) ======================= q-point: ( 0.57 0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( 0.450 0.818 1.707) 1.946 3.429 ( -0.159 1.218 -0.004) 1.228 6.882 ( 1.644 -1.343 26.101) 26.187 9.299 ( 29.375 31.866 -5.656) 43.708 9.458 ( -3.577 -8.392 -16.455) 18.815 12.711 ( 25.029 -8.951 6.528) 27.371 14.486 ( -0.655 49.238 2.894) 49.327 15.712 ( -5.841 2.855 -6.645) 9.297 15.978 ( -11.354 19.198 -1.640) 22.365 18.246 ( 11.751 -10.619 -7.229) 17.410 19.969 ( -8.760 -2.104 2.711) 9.408 22.133 ( -4.669 -11.171 4.851) 13.043 ======================= Grid point 1552 (578/891) ======================= q-point: ( 0.62 0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 0.620 0.640 1.506) 1.750 3.433 ( -0.418 0.747 -0.478) 0.980 6.957 ( 2.465 -3.112 18.327) 18.752 9.161 ( -9.320 -8.626 -12.498) 17.818 10.278 ( 43.752 32.438 -3.525) 54.579 13.120 ( 32.127 -10.251 5.879) 34.231 14.883 ( -2.643 34.604 6.215) 35.257 15.616 ( -6.311 6.868 -10.572) 14.098 15.997 ( -12.814 25.005 -0.119) 28.098 18.234 ( 4.575 -19.655 -5.052) 20.803 19.828 ( -6.216 -0.178 3.141) 6.967 21.947 ( -6.530 -9.900 2.434) 12.107 ======================= Grid point 1553 (579/891) ======================= q-point: ( 0.67 0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( 0.775 0.526 1.296) 1.599 3.427 ( -0.627 0.329 -0.674) 0.977 7.008 ( 3.096 -4.346 10.980) 12.208 8.901 ( -9.723 -5.988 -7.640) 13.739 11.364 ( 49.021 32.265 -2.904) 58.758 13.598 ( 35.421 -12.177 5.059) 37.796 15.082 ( -4.513 14.971 9.070) 18.077 15.606 ( -3.016 13.234 -13.106) 18.868 16.008 ( -19.128 31.566 1.225) 36.930 17.966 ( -6.214 -29.681 -2.914) 30.464 19.806 ( 0.718 3.296 2.775) 4.368 21.739 ( -7.900 -8.859 0.408) 11.877 ======================= Grid point 1554 (580/891) ======================= q-point: ( 0.71 0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( 0.890 0.510 1.037) 1.458 3.415 ( -0.712 -0.021 -0.643) 0.960 7.040 ( 3.240 -4.679 4.802) 7.447 8.684 ( -8.779 -3.091 -3.549) 9.961 12.501 ( 48.956 33.394 -2.466) 59.312 14.077 ( 35.454 -15.365 4.004) 38.847 15.116 ( -4.767 5.082 8.623) 11.086 15.628 ( -4.141 6.341 -11.519) 13.786 15.964 ( -25.686 35.686 1.778) 44.004 17.496 ( -11.029 -31.896 -1.213) 33.771 19.910 ( 5.365 4.864 2.218) 7.574 21.517 ( -8.582 -8.158 -0.963) 11.879 ======================= Grid point 1555 (581/891) ======================= q-point: ( 0.76 0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( 0.906 0.596 0.664) 1.271 3.400 ( -0.649 -0.294 -0.450) 0.843 7.052 ( 2.106 -3.725 0.769) 4.348 8.535 ( -5.808 -0.933 -0.733) 5.928 13.597 ( 41.337 35.620 -2.157) 54.609 14.481 ( 31.774 -22.616 2.966) 39.114 15.083 ( -8.372 6.200 6.119) 12.082 15.446 ( -19.224 0.401 -5.267) 19.937 15.864 ( -14.789 15.499 -1.175) 21.455 17.075 ( -8.089 -17.093 -0.061) 18.910 20.072 ( 6.776 5.725 1.583) 9.011 21.293 ( -8.330 -7.869 -1.369) 11.540 ======================= Grid point 1556 (582/891) ======================= q-point: (-0.19 0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( 0.743 0.752 0.125) 1.065 3.386 ( -0.455 -0.490 -0.136) 0.683 7.038 ( -1.334 -1.226 0.038) 1.812 8.477 ( 0.058 -0.297 -0.024) 0.304 14.439 ( -3.261 20.076 1.627) 20.404 14.461 ( 3.891 -20.649 -2.055) 21.113 15.014 ( -2.690 -1.355 -0.110) 3.014 15.247 ( 7.221 7.533 1.390) 10.527 15.788 ( -1.769 -1.030 -0.993) 2.275 16.927 ( 0.061 -0.139 0.140) 0.207 20.244 ( 5.825 7.079 -0.001) 9.167 21.086 ( -6.600 -8.138 -0.000) 10.478 ======================= Grid point 1557 (583/891) ======================= q-point: (-0.14 0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( 0.361 0.918 -0.550) 1.129 3.376 ( -0.200 -0.606 0.242) 0.683 6.979 ( -6.934 2.421 3.113) 7.977 8.537 ( 8.386 -1.211 -1.843) 8.671 13.598 ( -43.773 -28.435 -1.971) 52.235 14.633 ( -3.122 -11.988 2.825) 12.706 14.968 ( 2.931 -3.115 0.126) 4.279 15.636 ( -2.102 35.193 -8.373) 36.236 15.819 ( 6.554 3.786 6.557) 10.014 17.089 ( 21.691 -1.996 -1.133) 21.812 20.384 ( 1.437 8.994 -4.917) 10.350 20.936 ( -1.432 -8.850 5.480) 10.507 ======================= Grid point 1571 (584/891) ======================= q-point: ( 0.52 0.52 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( 0.000 0.891 2.094) 2.276 3.430 ( -0.000 1.353 0.149) 1.362 6.858 ( 0.000 -1.717 28.551) 28.603 8.708 ( -0.000 33.211 -4.993) 33.584 9.589 ( -0.000 -10.163 -19.994) 22.429 12.261 ( 0.000 -9.179 7.842) 12.073 14.506 ( -0.000 53.615 1.655) 53.641 15.818 ( -0.000 7.520 -3.648) 8.358 16.188 ( -0.000 6.300 -2.838) 6.910 18.004 ( -0.000 -1.357 -8.130) 8.242 20.132 ( 0.000 -4.512 3.118) 5.485 22.213 ( 0.000 -11.215 4.829) 12.210 ======================= Grid point 1572 (585/891) ======================= q-point: ( 0.57 0.52 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 0.151 0.731 2.169) 2.294 3.441 ( -0.083 0.937 -0.454) 1.044 6.907 ( 0.599 -3.894 22.552) 22.894 9.158 ( 18.957 29.360 -4.326) 35.215 9.410 ( -4.431 -8.164 -15.958) 18.465 12.311 ( 13.845 -9.637 7.909) 18.631 14.978 ( -1.966 44.729 3.292) 44.893 15.824 ( -5.106 4.430 -5.924) 8.988 16.228 ( -1.565 10.594 -2.119) 10.917 18.031 ( 4.440 -0.743 -5.707) 7.269 20.044 ( -4.330 -7.101 4.343) 9.383 22.101 ( -2.424 -9.795 2.079) 10.302 ======================= Grid point 1573 (586/891) ======================= q-point: ( 0.62 0.52 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( 0.284 0.579 2.161) 2.255 3.443 ( -0.275 0.541 -0.923) 1.105 6.931 ( 1.404 -5.851 16.241) 17.320 9.202 ( -7.574 -5.201 -11.634) 14.825 9.872 ( 35.378 25.381 -3.498) 43.681 12.564 ( 24.390 -9.859 7.419) 27.333 15.286 ( -6.413 28.078 7.032) 29.647 15.746 ( -5.441 6.712 -10.636) 13.703 16.353 ( -1.238 19.869 -0.161) 19.908 18.030 ( 0.183 -8.261 -3.776) 9.085 19.908 ( -4.923 -5.829 5.340) 9.313 21.955 ( -4.668 -8.460 -0.621) 9.682 ======================= Grid point 1574 (587/891) ======================= q-point: ( 0.67 0.52 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( 0.441 0.474 2.089) 2.188 3.437 ( -0.499 0.198 -1.167) 1.284 6.935 ( 2.459 -7.438 10.099) 12.781 9.000 ( -9.167 -1.739 -7.566) 12.012 10.790 ( 47.585 21.453 -2.818) 52.273 12.954 ( 30.505 -9.781 6.723) 32.733 15.337 ( -9.042 7.979 9.020) 15.059 15.746 ( -3.394 12.763 -12.603) 18.255 16.549 ( -5.121 30.051 1.551) 30.523 17.810 ( -8.958 -21.090 -2.203) 23.019 19.834 ( -1.000 -1.222 5.730) 5.944 21.779 ( -6.584 -7.377 -2.990) 10.330 ======================= Grid point 1575 (588/891) ======================= q-point: ( 0.71 0.52 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 0.615 0.448 1.942) 2.085 3.424 ( -0.666 -0.077 -1.177) 1.355 6.931 ( 3.786 -8.398 4.561) 10.280 8.824 ( -9.844 1.830 -4.018) 10.789 11.836 ( 55.463 16.395 -2.379) 57.884 13.410 ( 32.020 -8.929 5.919) 33.764 15.260 ( -6.815 0.448 8.329) 10.771 15.752 ( -5.058 8.793 -10.773) 14.797 16.728 ( -16.621 38.977 2.648) 42.456 17.340 ( -12.131 -33.501 -1.382) 35.657 19.881 ( 3.604 2.226 5.808) 7.189 21.578 ( -8.004 -6.543 -4.872) 11.428 ======================= Grid point 1576 (589/891) ======================= q-point: (-0.24 -0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( 0.759 0.506 1.670) 1.903 3.407 ( -0.717 -0.276 -1.000) 1.261 6.930 ( 5.238 -8.455 0.116) 9.946 8.684 ( -9.768 4.839 -1.082) 10.955 12.905 ( 58.408 5.204 -2.122) 58.678 13.870 ( 28.698 -4.313 4.808) 29.416 15.178 ( -3.788 -3.348 8.017) 9.478 15.674 ( -9.133 4.274 -8.929) 13.469 16.491 ( -36.118 0.046 2.010) 36.174 17.053 ( -1.858 4.173 -0.087) 4.569 20.014 ( 6.533 3.553 5.998) 9.554 21.361 ( -8.757 -5.893 -6.197) 12.240 ======================= Grid point 1577 (590/891) ======================= q-point: (-0.19 -0.48 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( 0.788 0.629 1.215) 1.579 3.390 ( -0.632 -0.403 -0.680) 1.012 6.946 ( 6.218 -7.337 -2.665) 9.980 8.586 ( -8.541 6.641 1.032) 10.868 13.697 ( 41.957 -31.023 0.344) 52.182 14.362 ( 24.583 14.951 0.563) 28.779 15.161 ( 5.666 -1.380 7.252) 9.306 15.390 ( -25.133 -4.229 -4.659) 25.908 15.955 ( -16.209 -5.537 -0.791) 17.147 17.093 ( -9.718 19.508 0.825) 21.810 20.192 ( 7.812 4.331 6.099) 10.816 21.141 ( -8.644 -5.447 -6.773) 12.259 ======================= Grid point 1593 (591/891) ======================= q-point: ( 0.57 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 0.000 0.585 2.490) 2.558 3.447 ( -0.000 0.577 -0.933) 1.096 6.910 ( 0.000 -6.526 18.243) 19.375 9.243 ( -0.000 24.260 -3.973) 24.583 9.344 ( -0.000 -4.704 -13.483) 14.280 12.124 ( 0.000 -9.420 8.730) 12.843 15.408 ( -0.000 37.087 3.742) 37.275 15.905 ( -0.000 4.047 -5.346) 6.705 16.275 ( -0.000 4.322 -3.003) 5.263 18.028 ( -0.000 6.809 -3.232) 7.538 20.008 ( 0.000 -10.029 5.843) 11.606 22.035 ( 0.000 -8.362 -0.865) 8.406 ======================= Grid point 1594 (592/891) ======================= q-point: ( 0.62 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( 0.092 0.440 2.683) 2.721 3.446 ( -0.101 0.211 -1.359) 1.379 6.884 ( 0.670 -9.010 13.285) 16.066 9.245 ( -4.540 -0.668 -10.220) 11.203 9.607 ( 19.696 18.666 -3.310) 27.337 12.177 ( 13.399 -8.493 8.667) 18.077 15.665 ( -7.693 20.526 8.211) 23.408 15.861 ( -4.281 5.595 -10.908) 12.985 16.402 ( 9.142 7.705 -1.317) 12.028 18.064 ( -4.631 6.113 -0.925) 7.725 19.909 ( -2.013 -8.921 7.058) 11.552 21.934 ( -2.435 -7.094 -3.719) 8.372 ======================= Grid point 1595 (593/891) ======================= q-point: ( 0.67 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( 0.203 0.337 2.767) 2.795 3.440 ( -0.244 -0.095 -1.622) 1.643 6.836 ( 1.775 -11.198 8.006) 13.880 9.131 ( -7.757 3.636 -6.683) 10.866 10.227 ( 36.868 12.212 -2.475) 38.916 12.440 ( 23.433 -6.586 7.977) 25.615 15.577 ( -11.793 0.351 6.990) 13.713 15.887 ( -2.952 11.894 -10.439) 16.098 16.673 ( 11.822 9.299 0.185) 15.042 17.935 ( -15.821 1.476 1.367) 15.948 19.842 ( -0.584 -3.770 7.778) 8.663 21.796 ( -4.699 -6.062 -6.263) 9.902 ======================= Grid point 1596 (594/891) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( 0.364 0.296 2.739) 2.779 3.428 ( -0.408 -0.311 -1.656) 1.734 6.777 ( 3.465 -12.884 2.816) 13.636 9.025 ( -9.745 7.777 -3.327) 12.904 11.032 ( 49.636 3.842 -1.632) 49.811 12.859 ( 29.111 -3.061 6.929) 30.081 15.397 ( -9.118 -4.451 5.951) 11.763 15.886 ( -4.758 6.758 -8.382) 11.772 16.901 ( 9.723 -6.478 -1.020) 11.728 17.612 ( -27.025 11.498 4.165) 29.663 19.865 ( 2.194 0.714 8.348) 8.661 21.626 ( -6.616 -5.159 -8.412) 11.880 ======================= Grid point 1597 (595/891) ======================= q-point: (-0.24 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( 0.555 0.324 2.565) 2.644 3.412 ( -0.532 -0.431 -1.469) 1.621 6.726 ( 5.815 -13.823 -1.835) 15.108 8.937 ( -11.090 11.294 -0.360) 15.833 11.904 ( 55.890 -9.045 -0.650) 56.621 13.384 ( 31.288 3.387 5.319) 31.917 15.223 ( -5.994 -8.738 5.689) 12.026 15.819 ( -6.442 3.241 -6.674) 9.826 16.665 ( -12.208 -34.585 -0.689) 36.682 17.495 ( -17.251 37.245 4.060) 41.246 19.965 ( 4.828 2.085 9.242) 10.634 21.431 ( -8.037 -4.193 -10.207) 13.651 ======================= Grid point 1598 (596/891) ======================= q-point: (-0.19 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 0.707 0.400 2.183) 2.330 3.394 ( -0.568 -0.461 -1.111) 1.331 6.701 ( 8.690 -13.834 -5.498) 17.238 8.868 ( -12.056 13.812 2.134) 18.457 12.631 ( 49.368 -28.856 1.043) 57.193 14.005 ( 32.515 11.734 2.162) 34.635 15.077 ( -0.167 -11.094 5.399) 12.339 15.653 ( -14.848 -5.582 -4.942) 16.615 16.078 ( -15.409 -23.873 0.629) 28.421 17.604 ( -15.441 35.597 2.512) 38.883 20.114 ( 7.333 1.905 10.360) 12.835 21.223 ( -8.882 -2.991 -11.723) 15.009 ======================= Grid point 1615 (597/891) ======================= q-point: ( 0.62 0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( 0.000 0.290 3.075) 3.088 3.443 ( -0.000 -0.176 -1.759) 1.768 6.808 ( 0.000 -12.221 9.416) 15.428 9.278 ( -0.000 4.589 -7.966) 9.193 9.576 ( -0.000 11.542 -2.843) 11.887 12.015 ( 0.000 -6.433 9.198) 11.225 15.896 ( -0.000 -3.246 -1.565) 3.604 15.954 ( -0.000 17.514 0.649) 17.526 16.319 ( -0.000 1.953 -3.165) 3.719 18.208 ( -0.000 10.986 2.033) 11.173 19.862 ( 0.000 -7.434 8.296) 11.140 21.877 ( -0.000 -5.958 -6.658) 8.935 ======================= Grid point 1616 (598/891) ======================= q-point: (-0.33 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( 0.066 0.171 3.337) 3.342 3.434 ( -0.022 -0.519 -2.043) 2.108 6.704 ( 1.027 -15.107 4.828) 15.893 9.287 ( -4.923 9.615 -5.017) 11.911 9.815 ( 20.104 3.805 -1.974) 20.556 12.105 ( 13.159 -3.458 8.785) 16.196 15.744 ( -9.387 -7.672 0.743) 12.146 16.021 ( -4.216 8.411 -3.780) 10.140 16.471 ( 13.443 -0.732 -1.014) 13.501 18.238 ( -9.670 9.452 4.937) 14.395 19.839 ( 0.007 -1.525 9.014) 9.142 21.781 ( -2.423 -5.011 -9.286) 10.827 ======================= Grid point 1617 (599/891) ======================= q-point: (-0.29 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( 0.172 0.101 3.455) 3.461 3.421 ( -0.043 -0.743 -2.105) 2.233 6.583 ( 2.702 -17.410 -0.015) 17.619 9.277 ( -8.511 13.918 -1.910) 16.426 10.289 ( 36.888 -5.004 -0.850) 37.236 12.424 ( 23.386 0.585 7.656) 24.614 15.493 ( -9.322 -11.812 2.204) 15.208 15.990 ( -4.394 3.152 -4.827) 7.248 16.621 ( 9.753 -12.621 -1.542) 16.025 18.135 ( -16.010 14.512 7.280) 22.802 19.882 ( 0.572 3.237 9.804) 10.340 21.648 ( -4.626 -4.048 -11.558) 13.091 ======================= Grid point 1618 (600/891) ======================= q-point: (-0.24 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( 0.342 0.078 3.379) 3.397 3.407 ( -0.107 -0.821 -1.894) 2.067 6.465 ( 5.196 -18.933 -4.573) 20.158 9.263 ( -10.952 17.350 0.915) 20.538 10.909 ( 47.670 -15.483 0.316) 50.122 12.924 ( 30.072 5.318 6.047) 31.131 15.223 ( -6.847 -17.263 2.630) 18.756 15.916 ( -4.962 0.308 -3.925) 6.334 16.479 ( -3.544 -26.822 -1.524) 27.098 18.100 ( -13.744 26.908 6.881) 30.989 19.963 ( 1.411 3.541 11.253) 11.882 21.486 ( -6.455 -2.767 -13.523) 15.238 ======================= Grid point 1619 (601/891) ======================= q-point: (-0.19 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 0.541 0.086 3.033) 3.082 3.392 ( -0.186 -0.760 -1.436) 1.636 6.374 ( 8.552 -19.527 -8.355) 22.897 9.250 ( -12.853 19.781 3.234) 23.811 11.529 ( 49.083 -28.045 1.537) 56.551 13.550 ( 34.053 9.244 3.809) 35.490 14.955 ( -2.387 -22.362 2.690) 22.649 15.780 ( -9.888 -7.779 -3.932) 13.181 16.061 ( -10.876 -22.874 0.872) 25.342 18.199 ( -12.569 32.759 4.565) 35.383 20.062 ( 3.822 1.170 13.084) 13.681 21.307 ( -7.840 -0.886 -15.219) 17.142 ======================= Grid point 1637 (602/891) ======================= q-point: (-0.33 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( 0.000 0.022 3.809) 3.809 3.420 ( -0.000 -0.973 -2.384) 2.575 6.539 ( 0.000 -18.632 0.834) 18.651 9.442 ( -0.000 15.400 -2.578) 15.614 9.635 ( -0.000 -4.396 -1.354) 4.600 11.998 ( 0.000 -0.417 8.897) 8.907 15.704 ( 0.000 -16.161 -2.958) 16.430 16.134 ( 0.000 1.276 1.823) 2.225 16.314 ( -0.000 -0.561 -3.315) 3.362 18.414 ( 0.000 6.247 8.147) 10.267 19.881 ( 0.000 5.031 9.610) 10.847 21.727 ( -0.000 -4.083 -11.973) 12.651 ======================= Grid point 1638 (603/891) ======================= q-point: (-0.29 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( 0.047 -0.097 4.134) 4.136 3.403 ( 0.176 -1.318 -2.523) 2.851 6.353 ( 1.585 -21.459 -3.519) 21.803 9.552 ( -4.971 17.493 -0.371) 18.189 9.731 ( 19.150 -10.020 0.103) 21.614 12.149 ( 13.534 2.791 8.152) 16.044 15.453 ( -5.144 -23.321 -1.320) 23.918 16.070 ( -4.595 -1.353 -1.132) 4.922 16.370 ( 6.767 -7.623 -2.394) 10.471 18.441 ( -5.529 6.715 10.410) 13.566 19.977 ( -1.031 9.403 10.435) 14.084 21.636 ( -2.326 -2.956 -14.298) 14.785 ======================= Grid point 1639 (604/891) ======================= q-point: (-0.24 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.228 ( 0.141 -0.205 4.189) 4.197 3.388 ( 0.377 -1.447 -2.307) 2.749 6.165 ( 3.971 -23.447 -7.698) 24.996 9.627 ( -8.266 20.462 1.845) 22.145 10.048 ( 33.853 -17.977 1.462) 38.357 12.534 ( 24.379 5.808 6.805) 25.969 15.104 ( -5.085 -29.848 -0.164) 30.278 15.970 ( -4.147 -3.511 -1.715) 5.698 16.297 ( -1.286 -16.600 -2.338) 16.813 18.478 ( -4.625 14.524 10.079) 18.274 20.065 ( -2.794 8.274 12.100) 14.922 21.515 ( -4.377 -1.215 -16.244) 16.867 ======================= Grid point 1640 (605/891) ======================= q-point: (-0.19 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( 0.318 -0.329 3.813) 3.841 3.375 ( 0.454 -1.325 -1.660) 2.171 5.999 ( 7.340 -24.487 -11.203) 27.911 9.680 ( -11.391 23.021 3.930) 25.984 10.487 ( 42.496 -27.061 2.293) 50.433 13.090 ( 31.450 7.528 5.107) 32.740 14.721 ( -2.278 -35.572 0.373) 35.647 15.817 ( -7.632 -12.585 -3.396) 15.105 16.039 ( -7.444 -13.140 0.673) 15.117 18.624 ( -3.250 22.627 7.236) 23.977 20.109 ( -2.755 3.221 14.263) 14.879 21.380 ( -6.087 1.455 -17.641) 18.718 ======================= Grid point 1659 (606/891) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( 0.000 -0.284 4.762) 4.770 3.378 ( -0.000 -1.892 -2.825) 3.400 6.100 ( -0.000 -24.751 -7.295) 25.803 9.401 ( 0.000 -18.932 0.105) 18.932 9.832 ( -0.000 24.506 2.313) 24.615 12.090 ( 0.000 4.355 8.137) 9.229 15.207 ( 0.000 -34.172 -1.959) 34.228 16.068 ( 0.000 -7.616 -0.397) 7.626 16.261 ( -0.000 -2.932 -3.451) 4.529 18.550 ( 0.000 2.833 12.760) 13.071 20.132 ( 0.000 12.827 11.232) 17.049 21.590 ( -0.000 -1.422 -16.595) 16.656 ======================= Grid point 1660 (607/891) ======================= q-point: (-0.24 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.237 ( -0.025 -0.511 5.089) 5.115 3.354 ( 0.565 -2.243 -2.723) 3.573 5.840 ( 2.263 -27.185 -10.919) 29.383 9.345 ( 18.085 -24.680 0.542) 30.602 10.045 ( -5.513 26.997 4.633) 27.941 12.282 ( 14.177 5.736 7.394) 16.987 14.811 ( -1.997 -41.895 -1.501) 41.970 15.958 ( -2.187 -9.665 -1.532) 10.027 16.204 ( -1.751 -6.819 -3.092) 7.689 18.627 ( 0.945 6.209 12.814) 14.271 20.256 ( -3.519 10.680 12.658) 16.931 21.520 ( -2.147 1.095 -18.276) 18.434 ======================= Grid point 1661 (608/891) ======================= q-point: (-0.19 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( 0.021 -0.911 4.498) 4.589 3.341 ( 1.132 -2.117 -1.661) 2.919 5.598 ( 5.475 -28.682 -13.950) 32.361 9.505 ( 30.820 -29.404 0.745) 42.603 10.202 ( -8.552 27.147 6.771) 29.257 12.694 ( 24.992 6.217 6.146) 26.477 14.346 ( -0.985 -47.148 -1.169) 47.172 15.780 ( -5.465 -15.235 -3.380) 16.535 16.057 ( -5.648 -6.807 -0.558) 8.863 18.796 ( 4.480 12.557 10.158) 16.761 20.280 ( -6.954 4.669 14.087) 16.389 21.442 ( -4.079 4.730 -18.834) 19.842 ======================= Grid point 1681 (609/891) ======================= q-point: (-0.24 -0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( 0.000 -0.839 6.077) 6.134 3.314 ( -0.000 -3.040 -3.079) 4.327 5.508 ( -0.000 -30.045 -13.956) 33.128 8.932 ( 0.000 -29.246 0.952) 29.262 10.389 ( -0.000 29.866 6.014) 30.466 12.234 ( 0.000 5.535 7.493) 9.315 14.372 ( 0.000 -50.492 -1.969) 50.531 15.859 ( 0.000 -12.882 -2.242) 13.075 16.164 ( -0.000 -4.921 -3.585) 6.088 18.697 ( 0.000 4.989 13.471) 14.365 20.418 ( 0.000 7.614 13.364) 15.381 21.511 ( -0.000 4.694 -19.148) 19.715 ======================= Grid point 1682 (610/891) ======================= q-point: (-0.19 -0.24 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( -0.485 -1.913 4.257) 4.692 3.290 ( 1.533 -2.861 -0.499) 3.284 5.189 ( 3.039 -31.965 -16.470) 36.087 8.784 ( 17.615 -33.277 1.124) 37.668 10.643 ( -6.579 30.376 7.605) 31.997 12.432 ( 14.389 5.134 6.885) 16.757 13.847 ( 0.187 -55.760 -2.370) 55.811 15.692 ( -3.076 -15.787 -3.235) 16.406 16.072 ( -3.398 -5.719 -2.627) 7.153 18.833 ( 4.963 8.065 11.331) 14.767 20.459 ( -5.036 1.499 13.368) 14.364 21.507 ( -2.096 8.996 -18.120) 20.339 ======================= Grid point 1703 (611/891) ======================= q-point: (-0.19 -0.19 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( -0.000 -4.603 -3.109) 5.554 3.260 ( 0.000 -2.101 8.096) 8.364 4.793 ( -0.000 -34.186 -18.568) 38.903 8.303 ( 0.000 -35.940 1.139) 35.958 11.018 ( 0.000 29.542 9.090) 30.909 12.374 ( 0.000 4.394 7.055) 8.311 13.266 ( 0.000 -61.009 -3.863) 61.131 15.554 ( 0.000 -16.950 -3.261) 17.261 16.033 ( -0.000 -6.397 -3.729) 7.405 18.892 ( 0.000 8.172 9.658) 12.651 20.530 ( 0.000 -3.452 12.122) 12.604 21.584 ( -0.000 12.700 -15.305) 19.888 ======================= Grid point 1858 (612/891) ======================= q-point: ( 0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 0.000 -0.000 28.029) 28.029 0.933 ( 0.000 -0.000 28.029) 28.029 3.577 ( 0.000 -0.000 103.344) 103.344 4.261 ( -0.000 0.000 -18.341) 18.341 4.261 ( -0.000 0.000 -18.341) 18.341 12.665 ( 0.000 -0.000 6.950) 6.950 12.665 ( 0.000 -0.000 6.950) 6.950 13.164 ( -0.000 0.000 -45.010) 45.010 15.144 ( -0.000 0.000 -3.541) 3.541 15.144 ( -0.000 0.000 -3.541) 3.541 23.093 ( 0.000 -0.000 18.794) 18.794 25.643 ( -0.000 0.000 -8.082) 8.082 ======================= Grid point 1859 (613/891) ======================= q-point: ( 0.24 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 25.900 14.953 22.488) 37.418 1.724 ( 42.900 24.769 20.405) 53.575 3.899 ( 3.131 1.808 99.806) 99.871 4.285 ( 7.360 4.249 -19.457) 21.232 4.493 ( 26.512 15.307 -20.362) 36.766 12.625 ( -2.958 -1.708 -8.403) 9.070 12.733 ( 2.048 1.183 7.604) 7.963 13.119 ( 7.757 4.479 -32.675) 33.881 15.123 ( 0.845 0.488 -4.103) 4.217 15.988 ( 58.929 34.022 -29.447) 74.143 23.084 ( -6.445 -3.721 19.333) 20.716 24.619 ( -69.817 -40.309 27.137) 85.062 ======================= Grid point 1860 (614/891) ======================= q-point: ( 0.29 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 26.136 15.089 18.293) 35.290 2.514 ( 21.538 12.435 18.078) 30.746 4.256 ( 5.148 2.972 86.608) 86.812 4.500 ( 17.334 10.008 -19.760) 28.126 5.406 ( 58.645 33.859 -13.109) 68.974 12.447 ( -7.251 -4.186 -33.172) 34.213 12.796 ( 1.685 0.973 7.363) 7.616 13.358 ( 17.869 10.317 -9.258) 22.615 15.158 ( 3.321 1.917 -4.005) 5.545 17.113 ( 47.133 27.212 -36.148) 65.335 22.750 ( -36.570 -21.114 24.837) 48.990 23.439 ( -32.264 -18.627 30.589) 48.204 ======================= Grid point 1861 (615/891) ======================= q-point: ( 0.33 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 17.442 10.070 14.630) 24.893 2.869 ( 8.729 5.040 13.016) 16.462 4.632 ( 8.055 4.650 78.051) 78.604 4.962 ( 28.725 16.585 -17.527) 37.515 6.884 ( 73.059 42.180 -7.464) 84.690 12.142 ( -10.278 -5.934 -41.327) 42.997 12.847 ( 1.114 0.643 6.301) 6.431 13.808 ( 22.637 13.070 -0.156) 26.140 15.246 ( 5.355 3.092 -3.284) 7.002 17.874 ( 29.500 17.032 -27.009) 43.472 21.836 ( -42.558 -24.571 20.461) 53.231 23.127 ( -11.051 -6.380 21.212) 24.754 ======================= Grid point 1862 (616/891) ======================= q-point: ( 0.38 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( 9.731 5.618 10.354) 15.279 3.042 ( 4.951 2.859 6.828) 8.906 5.059 ( 11.228 6.483 71.976) 73.135 5.653 ( 36.065 20.822 -13.474) 43.770 8.526 ( 74.218 42.850 -5.233) 85.859 11.765 ( -12.824 -7.404 -41.613) 44.170 12.880 ( 0.350 0.202 4.667) 4.684 14.331 ( 23.101 13.337 3.420) 26.893 15.374 ( 6.697 3.866 -2.150) 8.026 18.291 ( 13.643 7.877 -17.343) 23.430 21.084 ( -27.417 -15.829 6.767) 32.374 22.946 ( -10.763 -6.214 18.616) 22.384 ======================= Grid point 1863 (617/891) ======================= q-point: ( 0.43 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( 5.590 3.227 7.091) 9.589 3.146 ( 3.459 1.997 2.030) 4.481 5.531 ( 13.713 7.917 64.309) 66.229 6.454 ( 37.923 21.895 -9.936) 44.903 10.098 ( 64.820 37.424 -7.358) 75.209 11.369 ( -10.104 -5.833 -34.728) 36.636 12.887 ( -0.710 -0.410 2.715) 2.836 14.833 ( 20.520 11.847 4.708) 24.157 15.527 ( 7.299 4.214 -0.843) 8.470 18.399 ( 0.621 0.358 -12.769) 12.790 20.664 ( -11.109 -6.414 -2.731) 13.115 22.742 ( -12.127 -7.001 16.854) 21.912 ======================= Grid point 1864 (618/891) ======================= q-point: ( 0.48 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( 3.489 2.014 5.083) 6.486 3.213 ( 2.447 1.413 -0.789) 2.934 6.022 ( 15.058 8.694 54.402) 57.113 7.262 ( 36.263 20.937 -7.373) 42.518 10.623 ( -12.664 -7.312 -34.060) 37.067 11.854 ( 57.945 33.454 -1.062) 66.917 12.860 ( -2.163 -1.249 0.587) 2.566 15.261 ( 16.577 9.571 4.184) 19.593 15.690 ( 7.240 4.180 0.462) 8.373 18.308 ( -3.782 -2.183 -13.875) 14.546 20.525 ( -1.774 -1.024 -5.575) 5.940 22.498 ( -13.756 -7.942 15.525) 22.211 ======================= Grid point 1865 (619/891) ======================= q-point: ( 0.52 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.254 ( 1.644 0.949 -2.090) 2.823 3.270 ( 2.237 1.291 3.901) 4.679 6.498 ( 15.062 8.696 42.568) 45.984 8.014 ( 32.444 18.732 -5.355) 37.844 10.112 ( -21.859 -12.621 -28.544) 38.103 12.791 ( -3.925 -2.266 -1.699) 4.840 13.167 ( 55.933 32.293 2.362) 64.629 15.603 ( 13.682 7.899 1.587) 15.878 15.849 ( 6.610 3.816 1.668) 7.813 18.201 ( -1.525 -0.881 -15.657) 15.756 20.498 ( -0.105 -0.061 -5.775) 5.776 22.219 ( -14.942 -8.627 14.784) 22.722 ======================= Grid point 1866 (620/891) ======================= q-point: ( 0.57 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( 1.067 0.616 -2.537) 2.820 3.319 ( 1.323 0.764 3.199) 3.545 6.917 ( 12.884 7.438 28.586) 32.226 8.667 ( 26.905 15.534 -3.436) 31.257 9.545 ( -21.858 -12.620 -19.640) 31.980 12.676 ( -5.581 -3.222 -4.186) 7.685 14.298 ( 43.313 25.007 5.409) 50.305 15.902 ( 13.826 7.982 -3.295) 16.301 15.991 ( 5.460 3.153 2.716) 6.865 18.160 ( 1.733 1.001 -14.868) 15.002 20.461 ( -2.075 -1.198 -6.658) 7.076 21.926 ( -14.688 -8.480 14.832) 22.531 ======================= Grid point 1867 (621/891) ======================= q-point: ( 0.62 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( 0.730 0.422 -2.650) 2.781 3.348 ( 0.546 0.315 2.780) 2.851 7.186 ( 4.532 2.617 10.825) 12.023 9.090 ( -13.489 -7.788 -6.559) 16.901 9.182 ( 19.425 11.215 -1.342) 22.470 12.525 ( -6.292 -3.633 -6.872) 10.001 15.084 ( 24.719 14.271 9.492) 30.080 16.104 ( 3.844 2.219 3.553) 5.685 16.207 ( 14.486 8.363 -9.976) 19.476 18.201 ( 5.557 3.208 -11.066) 12.792 20.362 ( -4.552 -2.628 -9.135) 10.539 21.664 ( -12.320 -7.113 15.516) 21.051 ======================= Grid point 1868 (622/891) ======================= q-point: ( 0.67 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.296 ( 0.603 0.348 -2.759) 2.845 3.360 ( -0.185 -0.107 2.545) 2.554 7.107 ( -12.411 -7.165 -5.927) 15.508 8.992 ( 5.174 2.987 6.708) 8.982 9.507 ( 9.374 5.412 0.820) 10.855 12.372 ( -4.933 -2.848 -9.472) 11.053 15.467 ( 7.711 4.452 11.657) 14.669 16.179 ( 1.869 1.079 4.134) 4.663 16.414 ( 5.224 3.016 -14.398) 15.610 18.360 ( 10.510 6.068 -5.856) 13.475 20.233 ( -3.203 -1.849 -12.576) 13.109 21.471 ( -8.957 -5.171 16.203) 19.223 ======================= Grid point 1869 (623/891) ======================= q-point: (-0.29 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( 0.583 0.337 -3.083) 3.156 3.354 ( -0.929 -0.536 2.450) 2.675 6.665 ( -23.441 -13.534 -8.987) 28.521 9.300 ( 18.731 10.814 8.253) 23.149 9.585 ( -3.079 -1.778 2.257) 4.211 12.270 ( -1.262 -0.729 -11.096) 11.191 15.507 ( -7.412 -4.279 10.359) 13.437 16.209 ( -0.275 -0.159 4.428) 4.440 16.338 ( -7.415 -4.281 -12.329) 15.010 18.586 ( 9.474 5.470 -4.199) 11.718 20.203 ( 4.904 2.831 -15.068) 16.097 21.350 ( -6.161 -3.557 16.757) 18.204 ======================= Grid point 1870 (624/891) ======================= q-point: (-0.24 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( 0.474 0.274 -3.853) 3.892 3.332 ( -1.746 -1.008 2.490) 3.204 6.067 ( -27.774 -16.036 -3.794) 32.295 9.383 ( -15.350 -8.863 2.109) 17.850 9.818 ( 25.248 14.577 4.019) 29.430 12.256 ( 2.506 1.447 -10.876) 11.254 15.149 ( -27.194 -15.701 5.167) 31.824 16.097 ( -10.737 -6.199 -4.289) 13.118 16.192 ( -2.353 -1.358 4.438) 5.203 18.726 ( 4.912 2.836 -7.205) 9.169 20.358 ( 11.374 6.567 -15.151) 20.051 21.294 ( -2.825 -1.631 17.635) 17.934 ======================= Grid point 1871 (625/891) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( -2.719 -1.570 2.689) 4.134 3.296 ( -0.080 -0.046 -5.414) 5.415 5.425 ( -29.635 -17.110 5.457) 34.652 8.933 ( -24.791 -14.313 0.716) 28.635 10.421 ( 27.904 16.110 -1.606) 32.260 12.306 ( 4.119 2.378 -9.222) 10.376 14.353 ( -43.800 -25.288 2.432) 50.634 15.843 ( -12.012 -6.935 1.261) 13.927 16.131 ( -4.152 -2.397 4.191) 6.368 18.797 ( 4.374 2.525 -9.946) 11.155 20.535 ( 6.257 3.612 -13.975) 15.732 21.354 ( 4.440 2.563 17.588) 18.320 ======================= Grid point 1880 (626/891) ======================= q-point: ( 0.24 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 0.000 29.873 23.409) 37.952 1.768 ( 0.000 48.419 20.720) 52.666 4.180 ( 0.000 2.748 98.940) 98.978 4.238 ( -0.000 8.903 -20.677) 22.512 4.419 ( -0.000 29.547 -20.535) 35.982 12.649 ( -0.000 -5.306 -23.809) 24.393 12.655 ( 0.000 -2.597 6.733) 7.216 13.074 ( -0.000 15.561 -18.875) 24.463 15.190 ( -0.000 4.815 -3.283) 5.828 15.870 ( -0.000 65.393 -27.081) 70.779 23.140 ( 0.000 -7.427 20.013) 21.347 24.666 ( 0.000 -78.291 21.566) 81.207 ======================= Grid point 1881 (627/891) ======================= q-point: ( 0.29 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 14.660 28.516 20.516) 38.066 2.404 ( 16.309 25.662 18.475) 35.578 4.353 ( 7.790 14.571 -17.199) 23.849 4.487 ( 1.850 5.397 79.880) 80.083 5.011 ( 30.964 48.909 -9.600) 58.677 12.407 ( -6.594 -6.863 -36.295) 37.522 12.767 ( 8.385 -0.813 4.186) 9.407 13.246 ( 4.789 18.339 -5.946) 19.865 15.198 ( -2.539 7.433 -3.481) 8.592 16.724 ( 30.997 54.011 -33.626) 70.772 22.986 ( -13.559 -24.515 22.065) 35.661 23.734 ( -26.354 -52.003 29.214) 65.210 ======================= Grid point 1882 (628/891) ======================= q-point: ( 0.33 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 13.715 19.316 17.074) 29.202 2.813 ( 9.267 7.816 13.954) 18.484 4.702 ( 17.160 20.664 -5.102) 27.340 4.821 ( 5.790 10.246 63.524) 64.605 6.258 ( 54.785 57.748 -5.793) 79.811 12.102 ( -7.787 -7.870 -43.788) 45.166 12.900 ( 2.635 4.948 5.965) 8.186 13.566 ( 16.106 13.676 -1.295) 21.169 15.249 ( 0.473 8.447 -2.863) 8.932 17.573 ( 26.734 36.797 -28.368) 53.605 22.214 ( -34.183 -45.895 23.042) 61.691 23.270 ( -9.263 -12.721 21.133) 26.348 ======================= Grid point 1883 (629/891) ======================= q-point: ( 0.38 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 8.244 9.977 12.234) 17.810 3.007 ( 5.228 3.181 8.516) 10.487 5.165 ( 8.962 7.679 68.963) 69.966 5.358 ( 25.681 32.376 -10.837) 42.722 7.808 ( 64.401 55.054 -4.040) 84.822 11.750 ( -9.664 -8.672 -45.059) 46.892 12.979 ( -2.949 9.157 4.840) 10.769 14.018 ( 24.297 7.970 1.595) 25.621 15.354 ( 2.694 8.618 -1.671) 9.182 18.151 ( 15.040 23.922 -18.909) 34.000 21.336 ( -27.502 -34.709 11.203) 45.679 23.085 ( -8.457 -9.213 18.302) 22.167 ======================= Grid point 1884 (630/891) ======================= q-point: ( 0.43 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( 5.074 3.825 7.677) 9.965 3.124 ( 3.305 3.168 4.262) 6.255 5.592 ( 10.356 7.925 66.674) 67.938 6.141 ( 30.199 36.371 -10.880) 48.510 9.389 ( 64.519 47.318 -4.022) 80.112 11.370 ( -10.376 -8.010 -41.296) 43.327 13.010 ( -6.085 10.698 2.795) 12.621 14.513 ( 26.566 3.885 3.228) 27.042 15.487 ( 4.051 7.355 -0.477) 8.411 18.424 ( 0.955 13.767 -11.542) 17.991 20.734 ( -13.202 -21.105 -0.440) 24.898 22.893 ( -9.811 -9.371 16.416) 21.297 ======================= Grid point 1885 (631/891) ======================= q-point: ( 0.48 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( 3.791 0.668 3.311) 5.077 3.210 ( 1.988 3.530 2.791) 4.919 6.035 ( 12.065 8.171 57.832) 59.640 6.973 ( 29.506 36.677 -8.015) 47.750 10.523 ( 14.889 5.788 -26.598) 31.026 11.325 ( 34.077 25.407 -12.320) 44.255 12.999 ( -8.184 10.738 0.548) 13.512 14.983 ( 24.658 1.986 3.869) 25.038 15.620 ( 5.166 4.155 0.146) 6.631 18.414 ( -9.036 7.783 -9.964) 15.540 20.473 ( -0.361 -10.341 -5.939) 11.930 22.665 ( -11.477 -10.047 14.876) 21.306 ======================= Grid point 1886 (632/891) ======================= q-point: ( 0.52 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( 2.806 -0.067 -0.015) 2.807 3.275 ( 1.299 2.708 2.781) 4.093 6.469 ( 12.785 7.698 46.553) 48.886 7.772 ( 26.302 35.367 -5.763) 44.450 10.221 ( -16.338 -13.523 -31.607) 38.063 12.541 ( 56.038 35.278 1.140) 66.227 12.950 ( -8.899 11.123 -1.551) 14.329 15.393 ( 20.274 3.020 3.349) 20.769 15.739 ( 6.906 -0.320 0.019) 6.913 18.285 ( -9.705 6.916 -11.888) 16.832 20.421 ( 3.895 -6.010 -6.462) 9.646 22.400 ( -12.973 -10.617 13.805) 21.716 ======================= Grid point 1887 (633/891) ======================= q-point: ( 0.57 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( 1.919 -0.069 -1.709) 2.571 3.322 ( 0.890 1.670 2.772) 3.357 6.861 ( 11.976 6.322 33.079) 35.744 8.491 ( 21.367 32.911 -3.794) 39.422 9.700 ( -19.249 -14.137 -23.230) 33.317 12.831 ( -11.279 7.966 -4.150) 14.419 13.794 ( 49.369 30.006 4.292) 57.931 15.734 ( 13.878 5.712 -0.769) 15.027 15.862 ( 11.042 -3.018 1.428) 11.535 18.182 ( -5.868 6.139 -12.709) 15.286 20.408 ( 2.527 -5.538 -6.483) 8.893 22.111 ( -13.558 -10.544 13.430) 21.803 ======================= Grid point 1888 (634/891) ======================= q-point: ( 0.62 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( 1.270 0.003 -2.405) 2.720 3.353 ( 0.475 0.861 2.653) 2.829 7.149 ( 7.339 2.931 16.566) 18.354 9.075 ( 12.069 22.483 -2.464) 25.636 9.236 ( -12.964 -4.011 -10.657) 17.254 12.684 ( -12.813 6.971 -6.558) 15.993 14.771 ( 35.035 19.674 8.288) 41.027 15.912 ( 9.946 -4.027 -4.822) 11.763 16.126 ( 13.502 10.291 0.512) 16.984 18.137 ( -0.307 2.675 -11.088) 11.411 20.347 ( -0.902 -5.858 -7.910) 9.885 21.833 ( -12.336 -9.421 13.857) 20.808 ======================= Grid point 1889 (635/891) ======================= q-point: ( 0.67 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( 0.886 0.059 -2.719) 2.860 3.370 ( -0.032 0.295 2.524) 2.542 7.191 ( -5.622 -4.446 -1.445) 7.312 8.967 ( -1.001 -4.041 3.182) 5.240 9.542 ( 5.148 26.115 0.140) 26.618 12.513 ( -12.468 6.863 -8.955) 16.815 15.361 ( 16.193 7.938 12.101) 21.718 16.010 ( 9.965 -7.321 -4.322) 13.099 16.430 ( 6.000 15.584 -5.376) 17.543 18.182 ( 8.941 -1.434 -7.311) 11.638 20.230 ( -3.181 -4.536 -10.740) 12.085 21.607 ( -9.404 -7.590 14.766) 19.081 ======================= Grid point 1890 (636/891) ======================= q-point: (-0.29 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( 0.697 0.081 -3.026) 3.107 3.372 ( -0.652 -0.075 2.433) 2.520 6.879 ( -19.004 -11.028 -8.506) 23.561 9.111 ( 14.624 3.927 8.280) 17.258 9.762 ( -6.465 19.752 1.891) 20.869 12.370 ( -9.518 8.572 -10.733) 16.711 15.559 ( 0.753 -2.306 11.313) 11.570 16.075 ( 7.449 -7.654 -2.921) 11.073 16.515 ( -8.955 9.519 -6.287) 14.503 18.371 ( 16.339 -2.241 -4.637) 17.132 20.135 ( 0.226 -0.073 -13.661) 13.663 21.454 ( -6.307 -5.959 15.736) 17.969 ======================= Grid point 1891 (637/891) ======================= q-point: (-0.24 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.285 ( 0.527 -0.015 -3.540) 3.579 3.360 ( -1.398 -0.278 2.351) 2.750 6.360 ( -25.347 -13.359 -4.561) 29.012 9.507 ( 20.614 6.639 4.849) 22.193 9.713 ( -16.414 12.977 2.090) 21.029 12.314 ( -5.182 11.776 -10.811) 16.805 15.391 ( -16.062 -12.915 6.248) 21.537 16.080 ( 1.580 -7.061 -1.967) 7.498 16.342 ( -13.328 0.898 -0.080) 13.359 18.590 ( 11.964 -0.476 -6.604) 13.674 20.192 ( 8.723 4.209 -14.712) 17.614 21.367 ( -3.463 -4.461 16.962) 17.877 ======================= Grid point 1892 (638/891) ======================= q-point: (-0.19 0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( 0.023 -0.436 -4.217) 4.240 3.333 ( -2.260 -0.272 2.010) 3.037 5.776 ( -28.215 -13.802 4.254) 31.697 9.344 ( -29.698 3.628 0.898) 29.933 10.069 ( 27.948 10.198 -0.972) 29.767 12.352 ( -2.641 14.384 -9.147) 17.249 14.796 ( -35.199 -22.273 2.278) 41.717 15.950 ( -8.284 -7.491 0.296) 11.172 16.175 ( -4.954 -4.434 3.805) 7.661 18.725 ( 5.948 3.614 -10.119) 12.282 20.371 ( 11.072 2.590 -14.443) 18.382 21.364 ( 1.370 -1.597 18.433) 18.552 ======================= Grid point 1902 (639/891) ======================= q-point: ( 0.29 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 0.000 30.044 20.541) 36.395 2.574 ( 0.000 21.694 16.757) 27.412 4.394 ( -0.000 20.701 -22.211) 30.362 4.753 ( 0.000 6.477 77.573) 77.843 5.291 ( -0.000 65.657 -3.592) 65.755 12.294 ( -0.000 -7.824 -47.091) 47.736 12.641 ( 0.000 -2.641 6.515) 7.029 13.442 ( -0.000 24.401 0.416) 24.405 15.288 ( -0.000 7.068 -3.150) 7.738 16.957 ( -0.000 61.729 -33.043) 70.017 22.844 ( 0.000 -48.407 24.852) 54.414 23.521 ( 0.000 -38.688 24.514) 45.801 ======================= Grid point 1903 (640/891) ======================= q-point: ( 0.33 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 7.180 22.281 17.979) 29.517 2.814 ( 4.651 8.882 13.279) 16.639 4.664 ( 11.170 29.242 -19.418) 36.837 5.050 ( 1.790 7.730 74.622) 75.043 6.198 ( 26.269 73.793 -3.155) 78.393 12.016 ( -6.298 -7.979 -47.844) 48.912 12.765 ( 13.165 -1.779 4.726) 14.100 13.664 ( -2.069 24.531 1.612) 24.670 15.339 ( -1.123 8.766 -2.807) 9.272 17.564 ( 14.417 49.644 -28.653) 59.104 22.189 ( -17.124 -61.897 23.818) 68.496 23.302 ( -4.060 -14.823 19.746) 25.022 ======================= Grid point 1904 (641/891) ======================= q-point: ( 0.38 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 4.916 11.395 12.611) 17.693 2.982 ( 4.860 4.152 9.499) 11.450 5.210 ( 18.887 32.584 0.090) 37.663 5.399 ( 6.919 14.485 56.383) 58.624 7.485 ( 43.259 69.418 -2.540) 81.833 11.682 ( -7.946 -8.275 -47.455) 48.822 13.012 ( 12.374 2.883 5.027) 13.664 13.876 ( 3.180 18.603 0.617) 18.883 15.416 ( 0.434 9.426 -1.621) 9.574 18.150 ( 13.007 35.939 -20.672) 43.452 21.364 ( -20.258 -50.469 14.386) 56.254 23.154 ( -5.629 -11.377 17.608) 21.706 ======================= Grid point 1905 (642/891) ======================= q-point: ( 0.43 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 3.243 2.836 7.021) 8.238 3.122 ( 3.408 5.132 6.457) 8.925 5.708 ( 7.855 9.101 64.108) 65.226 6.048 ( 25.209 43.752 -8.565) 51.216 8.904 ( 51.323 58.381 -2.494) 77.773 11.333 ( -8.708 -7.219 -44.171) 45.596 13.216 ( 1.329 11.529 4.211) 12.346 14.162 ( 16.067 7.596 0.303) 17.775 15.516 ( 1.502 7.738 -0.409) 7.893 18.544 ( 3.738 24.847 -12.342) 27.995 20.683 ( -12.789 -35.473 2.966) 37.825 22.983 ( -7.455 -11.285 15.831) 20.822 ======================= Grid point 1906 (643/891) ======================= q-point: ( 0.48 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( 3.053 0.629 3.365) 4.587 3.224 ( 1.863 4.022 3.993) 5.966 6.101 ( 8.915 7.690 59.029) 60.192 6.903 ( 25.989 47.032 -8.271) 54.368 10.158 ( 36.608 27.809 -13.142) 47.814 11.127 ( 7.333 12.209 -27.690) 31.137 13.301 ( -8.548 17.401 1.612) 19.454 14.552 ( 25.299 -0.299 1.459) 25.342 15.602 ( 1.940 3.873 -0.140) 4.334 18.668 ( -8.956 16.229 -7.093) 19.847 20.304 ( 0.390 -20.921 -5.277) 21.580 22.774 ( -9.256 -11.780 14.206) 20.646 ======================= Grid point 1907 (644/891) ======================= q-point: ( 0.52 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 2.739 0.071 0.858) 2.872 3.290 ( 1.081 2.859 2.707) 4.083 6.482 ( 9.975 6.706 48.699) 50.160 7.753 ( 23.069 47.279 -6.089) 52.958 10.220 ( -9.209 -12.295 -32.023) 35.517 12.010 ( 49.999 41.512 -0.772) 64.990 13.290 ( -13.436 18.969 -1.082) 23.271 14.990 ( 27.584 -2.571 2.631) 27.829 15.654 ( 2.647 -0.444 -1.224) 2.950 18.569 ( -15.084 12.333 -7.045) 20.719 20.214 ( 7.914 -12.329 -7.243) 16.343 22.526 ( -10.887 -12.247 12.877) 20.841 ======================= Grid point 1908 (645/891) ======================= q-point: ( 0.57 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 2.249 -0.075 -0.783) 2.382 3.334 ( 0.657 1.884 2.233) 2.995 6.829 ( 9.975 5.140 35.962) 37.672 8.538 ( 18.242 45.591 -4.182) 49.283 9.785 ( -15.348 -13.870 -25.273) 32.660 13.111 ( 8.065 22.466 -2.373) 23.988 13.342 ( 25.883 30.061 1.781) 39.709 15.433 ( 26.450 -1.096 3.106) 26.654 15.684 ( 4.172 -3.248 -3.278) 6.220 18.406 ( -14.279 10.133 -8.286) 19.371 20.229 ( 7.793 -9.689 -6.815) 14.179 22.250 ( -11.925 -12.224 12.058) 20.905 ======================= Grid point 1909 (646/891) ======================= q-point: ( 0.62 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( 1.692 -0.072 -1.769) 2.449 3.363 ( 0.370 1.074 2.145) 2.427 7.100 ( 7.664 2.527 20.780) 22.292 9.143 ( 4.135 18.738 -5.807) 20.048 9.411 ( -7.162 12.794 -11.116) 18.400 13.039 ( -17.874 16.137 -6.070) 24.834 14.359 ( 41.505 25.101 6.550) 48.945 15.718 ( 6.681 -5.649 -5.336) 10.248 15.880 ( 24.210 4.744 1.981) 24.750 18.241 ( -11.212 4.538 -8.268) 14.651 20.226 ( 4.505 -8.571 -7.235) 12.087 21.970 ( -11.650 -11.360 11.957) 20.193 ======================= Grid point 1910 (647/891) ======================= q-point: ( 0.67 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( 1.200 -0.011 -2.343) 2.632 3.380 ( 0.086 0.457 2.173) 2.222 7.209 ( -0.426 -2.384 3.714) 4.434 8.963 ( -5.487 -8.859 -0.958) 10.464 9.819 ( 2.528 42.881 -0.660) 42.960 12.860 ( -18.711 15.153 -8.116) 25.409 15.143 ( 25.814 13.007 11.210) 31.003 15.766 ( 8.359 -6.532 -7.646) 13.077 16.350 ( 20.746 12.538 -0.728) 24.251 18.077 ( -4.631 -5.148 -6.756) 9.675 20.173 ( 0.704 -6.255 -9.143) 11.101 21.721 ( -9.630 -9.793 12.616) 18.649 ======================= Grid point 1911 (648/891) ======================= q-point: ( 0.71 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.263 ( 0.838 0.050 -2.751) 2.876 3.387 ( -0.290 0.056 2.200) 2.220 7.035 ( -13.168 -8.127 -6.733) 16.876 8.946 ( 8.619 -1.855 7.040) 11.282 10.175 ( -8.071 38.212 1.385) 39.079 12.681 ( -16.643 15.784 -9.827) 24.954 15.514 ( 6.908 0.065 11.854) 13.720 15.843 ( 10.727 -5.314 -6.780) 13.757 16.702 ( 1.615 14.133 -2.803) 14.499 18.019 ( 12.703 -12.404 -4.658) 18.355 20.098 ( -0.533 -1.809 -11.807) 11.957 21.535 ( -6.616 -8.217 13.793) 17.364 ======================= Grid point 1912 (649/891) ======================= q-point: (-0.24 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( 0.546 0.050 -3.199) 3.246 3.384 ( -0.810 -0.139 2.180) 2.329 6.625 ( -21.507 -10.495 -5.091) 24.467 9.214 ( 19.541 2.468 5.438) 20.434 10.265 ( -21.763 30.249 1.935) 37.315 12.580 ( -11.709 19.044 -10.176) 24.562 15.479 ( -6.718 -10.627 4.782) 13.451 15.949 ( 6.801 -3.914 -0.734) 7.881 16.609 ( -17.245 0.486 -0.732) 17.268 18.247 ( 23.468 -5.967 -5.392) 24.808 20.084 ( 3.327 2.558 -13.746) 14.372 21.418 ( -3.652 -6.883 15.347) 17.212 ======================= Grid point 1913 (650/891) ======================= q-point: (-0.19 0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.263 ( 0.113 -0.092 -3.802) 3.805 3.369 ( -1.496 -0.162 2.040) 2.535 6.120 ( -25.606 -10.509 2.785) 27.819 9.631 ( 22.567 4.393 0.819) 23.005 10.055 ( -30.678 20.943 -0.067) 37.145 12.600 ( -7.630 23.062 -8.534) 25.747 15.098 ( -23.667 -18.664 1.423) 30.174 15.960 ( -0.711 -5.677 0.483) 5.742 16.276 ( -14.118 -9.189 2.647) 17.052 18.556 ( 16.321 2.657 -8.201) 18.458 20.177 ( 8.694 2.226 -14.326) 16.905 21.373 ( 0.011 -4.852 17.357) 18.022 ======================= Grid point 1924 (651/891) ======================= q-point: ( 0.33 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 0.000 18.637 16.643) 24.986 2.885 ( 0.000 5.627 11.094) 12.440 4.819 ( -0.000 35.667 -19.898) 40.842 5.319 ( 0.000 7.351 74.614) 74.975 6.746 ( -0.000 82.437 -2.404) 82.472 11.860 ( -0.000 -7.557 -51.934) 52.481 12.626 ( 0.000 -2.717 6.385) 6.938 13.959 ( -0.000 27.117 3.268) 27.313 15.423 ( -0.000 8.522 -3.142) 9.083 17.857 ( -0.000 48.695 -26.583) 55.478 21.763 ( 0.000 -65.500 21.595) 68.968 23.252 ( 0.000 -12.946 18.139) 22.284 ======================= Grid point 1925 (652/891) ======================= q-point: ( 0.38 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 1.023 6.367 10.168) 12.040 2.990 ( 3.571 7.905 10.826) 13.873 5.262 ( 13.693 41.214 -13.752) 45.554 5.616 ( 2.459 8.632 69.059) 69.639 7.696 ( 18.349 79.995 -1.929) 82.095 11.590 ( -5.794 -6.734 -49.995) 50.778 12.753 ( 14.910 -2.375 5.255) 15.986 14.171 ( -6.388 26.059 2.482) 26.945 15.497 ( -0.055 8.962 -2.530) 9.312 18.288 ( 7.175 39.105 -21.661) 45.275 21.127 ( -9.294 -56.982 15.401) 59.754 23.157 ( -2.749 -12.298 16.633) 20.868 ======================= Grid point 1926 (653/891) ======================= q-point: ( 0.43 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( 1.732 1.483 6.127) 6.537 3.147 ( 2.657 6.352 7.518) 10.195 5.856 ( 8.320 16.909 46.590) 50.257 6.063 ( 19.860 37.479 7.803) 43.127 8.829 ( 30.007 68.357 -2.138) 74.683 11.285 ( -7.395 -4.033 -45.302) 46.078 13.065 ( 20.786 -0.164 4.855) 21.346 14.278 ( -8.381 22.201 0.087) 23.730 15.574 ( 0.067 7.393 -1.247) 7.497 18.685 ( 6.377 28.695 -15.173) 33.080 20.500 ( -9.823 -43.293 6.883) 44.924 23.016 ( -5.094 -12.514 15.037) 20.216 ======================= Grid point 1927 (654/891) ======================= q-point: ( 0.48 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 2.111 0.615 3.612) 4.229 3.247 ( 1.521 4.138 4.325) 6.176 6.215 ( 5.941 7.385 57.740) 58.513 6.912 ( 27.104 49.232 -7.593) 56.710 9.884 ( 28.264 37.602 -10.115) 48.115 11.106 ( 0.865 14.425 -31.292) 34.468 13.426 ( 15.295 6.668 4.601) 17.308 14.357 ( -1.164 13.730 -1.911) 13.911 15.623 ( -0.341 3.447 -0.743) 3.543 18.935 ( -2.193 20.479 -8.349) 22.224 20.050 ( -1.662 -29.085 -1.817) 29.189 22.830 ( -7.155 -12.977 13.408) 19.984 ======================= Grid point 1928 (655/891) ======================= q-point: ( 0.52 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( 2.228 0.281 1.575) 2.743 3.309 ( 0.852 2.852 2.552) 3.921 6.538 ( 7.050 5.712 48.922) 49.756 7.824 ( 25.197 51.487 -6.286) 57.665 10.122 ( -2.255 -8.465 -29.532) 30.804 11.719 ( 34.350 47.676 -4.015) 58.899 13.667 ( -3.281 18.351 1.881) 18.736 14.548 ( 17.273 0.629 -0.951) 17.310 15.627 ( -0.268 -0.458 -1.598) 1.684 18.942 ( -14.145 14.467 -4.228) 20.670 19.890 ( 9.945 -17.814 -6.941) 21.550 22.603 ( -8.933 -13.364 11.899) 19.999 ======================= Grid point 1929 (656/891) ======================= q-point: ( 0.57 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( 2.111 0.127 0.066) 2.116 3.349 ( 0.470 1.917 1.758) 2.643 6.830 ( 7.494 3.947 37.198) 38.150 8.687 ( 19.710 50.811 -4.923) 54.722 9.804 ( -10.379 -12.166 -25.293) 29.924 12.819 ( 41.853 41.337 1.417) 58.842 13.697 ( -15.565 23.370 -1.740) 28.133 14.923 ( 28.758 -5.465 1.291) 29.301 15.610 ( 0.995 -1.998 -3.265) 3.955 18.770 ( -18.161 10.498 -4.288) 21.411 19.928 ( 12.572 -12.554 -7.069) 19.122 22.344 ( -10.231 -13.356 10.696) 19.937 ======================= Grid point 1930 (657/891) ======================= q-point: ( 0.62 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( 1.813 0.068 -0.980) 2.062 3.374 ( 0.237 1.140 1.540) 1.931 7.064 ( 6.526 1.754 23.411) 24.366 9.223 ( -3.358 3.574 -11.468) 12.473 9.656 ( 4.264 36.073 -7.794) 37.151 13.524 ( -15.998 23.861 -5.167) 29.189 13.959 ( 36.340 29.734 4.955) 47.215 15.366 ( 28.467 -6.631 0.628) 29.236 15.629 ( 5.919 0.018 -3.922) 7.100 18.524 ( -18.378 4.178 -4.573) 19.394 19.994 ( 10.028 -9.611 -6.788) 15.460 22.070 ( -10.594 -12.702 10.026) 19.342 ======================= Grid point 1931 (658/891) ======================= q-point: ( 0.67 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( 1.418 0.084 -1.699) 2.215 3.388 ( 0.082 0.505 1.607) 1.686 7.191 ( 2.162 -1.349 8.208) 8.595 8.971 ( -7.906 -11.073 -4.589) 14.359 10.238 ( 4.348 53.500 -1.350) 53.693 13.368 ( -22.955 21.223 -7.095) 32.058 14.829 ( 32.391 18.873 8.766) 38.500 15.561 ( 7.450 -6.126 -6.893) 11.856 15.983 ( 30.430 4.687 0.138) 30.789 18.204 ( -17.342 -6.063 -4.028) 18.808 20.032 ( 5.959 -6.050 -7.714) 11.473 21.811 ( -9.526 -11.466 10.120) 18.018 ======================= Grid point 1932 (659/891) ======================= q-point: ( 0.71 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( 1.013 0.147 -2.235) 2.458 3.396 ( -0.073 0.044 1.754) 1.756 7.126 ( -7.298 -5.266 -3.628) 9.703 8.831 ( 2.317 -6.247 4.544) 8.065 10.741 ( -5.983 51.769 0.803) 52.120 13.160 ( -22.371 20.347 -8.589) 31.436 15.394 ( 15.314 5.303 13.518) 21.104 15.598 ( 8.671 -4.764 -10.311) 14.290 16.587 ( 28.897 12.102 -1.401) 31.360 17.820 ( -11.076 -19.029 -3.101) 22.236 20.038 ( 2.351 -1.615 -9.669) 10.081 21.596 ( -7.079 -10.107 11.082) 16.586 ======================= Grid point 1933 (660/891) ======================= q-point: (-0.24 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( 0.635 0.206 -2.715) 2.796 3.397 ( -0.321 -0.222 1.853) 1.894 6.843 ( -16.503 -7.384 -4.985) 18.754 8.950 ( 13.947 -1.770 5.403) 15.061 11.001 ( -20.795 45.303 1.931) 49.885 12.999 ( -17.358 22.373 -9.256) 29.791 15.460 ( -1.774 -8.508 1.156) 8.767 15.777 ( 11.174 -0.825 1.770) 11.343 16.891 ( -12.413 3.266 -0.121) 12.836 17.686 ( 26.979 -16.372 -4.142) 31.828 20.038 ( 1.273 2.422 -11.812) 12.125 21.444 ( -4.024 -8.942 12.816) 16.137 ======================= Grid point 1934 (661/891) ======================= q-point: (-0.19 0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( 0.213 0.204 -3.237) 3.250 3.391 ( -0.738 -0.310 1.833) 2.000 6.439 ( -21.920 -7.159 1.318) 23.097 9.262 ( 22.151 0.586 1.114) 22.187 10.908 ( -36.387 34.139 0.691) 49.900 12.982 ( -10.932 27.634 -7.753) 30.713 15.240 ( -12.627 -14.150 -0.965) 18.990 15.887 ( 3.995 -3.906 2.415) 6.086 16.466 ( -21.635 -16.207 1.622) 27.081 18.154 ( 31.244 0.810 -5.799) 31.788 20.068 ( 2.987 3.409 -13.426) 14.170 21.364 ( -0.588 -7.426 15.189) 16.917 ======================= Grid point 1946 (662/891) ======================= q-point: ( 0.38 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( 0.000 1.615 7.070) 7.252 3.086 ( 0.000 8.960 10.333) 13.676 5.518 ( -0.000 45.203 -14.153) 47.367 5.865 ( 0.000 7.021 68.656) 69.014 8.332 ( -0.000 80.477 -2.068) 80.504 11.448 ( -0.000 -3.869 -50.348) 50.497 12.607 ( 0.000 -3.083 6.435) 7.136 14.498 ( -0.000 26.138 3.289) 26.344 15.577 ( -0.000 9.227 -3.216) 9.771 18.520 ( -0.000 32.582 -20.929) 38.725 20.706 ( 0.000 -51.853 13.698) 53.631 23.103 ( 0.000 -12.812 15.432) 20.057 ======================= Grid point 1947 (663/891) ======================= q-point: ( 0.43 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( 0.706 1.009 5.427) 5.565 3.195 ( 1.228 5.903 7.003) 9.240 6.030 ( 9.043 34.867 11.105) 37.694 6.167 ( 8.515 18.720 41.556) 46.366 9.160 ( 11.110 68.821 -3.732) 69.812 11.256 ( -4.911 3.270 -44.327) 44.718 12.732 ( 15.606 -3.099 5.640) 16.881 14.677 ( -8.506 24.635 1.872) 26.130 15.650 ( -0.841 8.181 -2.616) 8.630 18.775 ( 6.048 20.191 -18.356) 27.949 20.251 ( -5.577 -37.506 9.825) 39.170 22.997 ( -2.622 -13.305 14.004) 19.494 ======================= Grid point 1948 (664/891) ======================= q-point: ( 0.48 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( 1.181 0.691 3.728) 3.972 3.277 ( 1.024 3.930 4.100) 5.771 6.367 ( 3.122 7.156 54.214) 54.773 6.898 ( 26.664 46.603 -5.826) 54.007 9.873 ( 11.646 33.105 -14.207) 37.861 11.219 ( 0.027 29.215 -27.071) 39.829 13.067 ( 24.834 -2.275 4.933) 25.421 14.717 ( -13.881 23.160 -0.821) 27.014 15.677 ( -2.417 4.030 -1.879) 5.061 18.997 ( 9.544 7.844 -14.482) 19.036 19.877 ( -8.069 -19.998 5.124) 22.165 22.839 ( -4.996 -13.758 12.413) 19.192 ======================= Grid point 1949 (665/891) ======================= q-point: ( 0.52 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( 1.490 0.522 2.169) 2.682 3.331 ( 0.601 2.753 2.237) 3.597 6.629 ( 4.297 4.615 47.243) 47.662 7.830 ( 30.200 49.085 -5.981) 57.940 9.998 ( -1.181 -5.167 -27.380) 27.889 11.769 ( 17.756 55.072 -5.754) 58.149 13.515 ( 27.313 0.201 4.841) 27.739 14.674 ( -15.048 20.097 -3.369) 25.331 15.643 ( -2.723 -0.273 -2.186) 3.502 19.150 ( 5.978 1.924 -9.584) 11.458 19.631 ( -4.954 -8.939 0.283) 10.224 22.636 ( -7.022 -14.041 10.780) 19.044 ======================= Grid point 1950 (666/891) ======================= q-point: ( 0.57 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( 1.627 0.401 0.886) 1.896 3.365 ( 0.279 1.902 1.268) 2.303 6.862 ( 5.001 2.654 36.752) 37.186 8.780 ( 26.410 49.391 -5.549) 56.283 9.757 ( -5.925 -10.955 -23.805) 26.866 12.673 ( 27.691 50.017 0.547) 57.173 13.965 ( 17.135 8.624 4.102) 19.617 14.620 ( -5.157 10.166 -4.476) 12.247 15.588 ( -1.372 -1.546 -3.239) 3.842 19.116 ( -10.920 2.417 -3.948) 11.860 19.581 ( 9.325 -7.878 -4.692) 13.078 22.397 ( -8.578 -13.967 9.261) 18.826 ======================= Grid point 1951 (667/891) ======================= q-point: ( 0.62 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( 1.591 0.313 -0.094) 1.624 3.386 ( 0.071 1.177 0.912) 1.491 7.049 ( 4.807 0.696 24.498) 24.975 9.263 ( -5.899 -3.371 -14.725) 16.217 9.855 ( 17.899 43.893 -5.448) 47.714 13.611 ( 30.585 39.347 2.445) 49.896 14.149 ( -13.893 23.529 -1.013) 27.343 14.801 ( 26.119 -6.917 -0.473) 27.024 15.561 ( 0.999 -0.667 -4.268) 4.434 18.852 ( -18.370 -2.542 -2.392) 18.698 19.697 ( 12.466 -5.578 -5.567) 14.748 22.137 ( -9.413 -13.399 8.073) 18.257 ======================= Grid point 1952 (668/891) ======================= q-point: ( 0.67 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 1.405 0.280 -0.840) 1.661 3.397 ( -0.037 0.545 0.929) 1.077 7.164 ( 2.782 -1.290 11.420) 11.824 8.986 ( -8.886 -11.520 -7.273) 16.266 10.635 ( 13.207 56.401 -1.840) 57.956 13.976 ( -23.840 25.712 -5.868) 35.551 14.524 ( 30.218 25.196 6.686) 39.908 15.219 ( 27.829 -7.654 -1.371) 28.895 15.616 ( 10.368 0.158 -3.681) 11.003 18.452 ( -20.874 -10.948 -1.763) 23.637 19.832 ( 9.752 -2.379 -5.936) 11.662 21.877 ( -9.161 -12.415 7.514) 17.161 ======================= Grid point 1953 (669/891) ======================= q-point: ( 0.71 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( 1.109 0.317 -1.452) 1.854 3.401 ( -0.071 0.034 1.126) 1.129 7.162 ( -2.776 -3.285 0.155) 4.303 8.772 ( -2.795 -8.767 1.314) 9.295 11.324 ( 2.179 58.423 0.125) 58.464 13.760 ( -26.476 23.031 -7.030) 35.788 15.180 ( 22.461 11.823 9.636) 27.150 15.417 ( 6.434 -4.666 -6.685) 10.386 16.045 ( 38.262 1.788 -1.731) 38.343 17.937 ( -22.247 -19.812 -0.976) 29.806 19.938 ( 5.922 0.857 -7.098) 9.284 21.641 ( -7.577 -11.337 7.903) 15.760 ======================= Grid point 1954 (670/891) ======================= q-point: ( 0.76 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.234 ( 0.746 0.399 -2.004) 2.175 3.402 ( -0.099 -0.321 1.345) 1.387 7.003 ( -10.796 -4.412 -3.878) 12.291 8.751 ( 7.346 -5.112 4.431) 9.986 11.799 ( -13.560 56.075 1.858) 57.721 13.530 ( -23.113 22.282 -7.985) 33.082 15.397 ( 0.189 -6.185 -4.071) 7.407 15.574 ( 14.571 1.791 6.394) 16.013 16.772 ( 41.755 6.268 -2.332) 42.287 17.329 ( -21.576 -28.434 -0.242) 35.694 20.008 ( 2.607 3.801 -8.960) 10.076 21.455 ( -4.841 -10.436 9.442) 14.883 ======================= Grid point 1955 (671/891) ======================= q-point: (-0.19 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( 0.329 0.476 -2.533) 2.599 3.399 ( -0.232 -0.506 1.468) 1.570 6.717 ( -17.200 -3.885 0.102) 17.634 8.929 ( 16.702 -2.581 1.652) 16.981 11.895 ( -34.813 44.421 1.373) 56.454 13.436 ( -13.303 27.645 -6.984) 31.464 15.266 ( -5.904 -9.588 -4.207) 12.021 15.767 ( 7.609 -3.250 5.144) 9.742 16.658 ( -24.011 -27.126 0.939) 36.238 17.528 ( 41.787 2.711 -3.649) 42.033 20.051 ( 0.581 5.369 -11.128) 12.369 21.336 ( -1.328 -9.387 12.065) 15.344 ======================= Grid point 1968 (672/891) ======================= q-point: ( 0.43 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( 0.000 0.861 4.600) 4.680 3.255 ( 0.000 4.689 5.378) 7.136 6.349 ( 0.000 5.413 59.304) 59.551 6.353 ( -0.000 47.002 -9.464) 47.946 9.660 ( -0.000 51.268 -9.751) 52.187 11.287 ( -0.000 21.269 -36.593) 42.325 12.577 ( 0.000 -3.980 6.737) 7.824 14.987 ( -0.000 22.395 2.453) 22.529 15.739 ( -0.000 9.315 -3.325) 9.891 18.768 ( -0.000 0.996 -18.827) 18.854 20.053 ( 0.000 -18.285 9.502) 20.607 22.925 ( 0.000 -13.881 12.713) 18.823 ======================= Grid point 1969 (673/891) ======================= q-point: ( 0.48 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.074 ( 0.455 0.785 3.607) 3.719 3.311 ( 0.445 3.487 3.397) 4.888 6.551 ( 0.292 5.424 51.052) 51.341 6.938 ( 17.730 45.038 -5.723) 48.739 9.968 ( 1.303 15.656 -22.324) 27.298 11.544 ( -0.265 50.915 -17.897) 53.969 12.696 ( 16.087 -3.939 5.976) 17.607 15.131 ( -7.894 21.222 0.968) 22.663 15.778 ( -4.255 6.688 -3.160) 8.533 18.735 ( 9.941 -12.643 -15.911) 22.623 19.936 ( -6.301 -1.149 6.461) 9.098 22.800 ( -2.598 -14.272 11.176) 18.312 ======================= Grid point 1970 (674/891) ======================= q-point: ( 0.52 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( 0.776 0.727 2.572) 2.783 3.354 ( 0.349 2.570 1.772) 3.141 6.745 ( 1.856 3.178 44.048) 44.201 7.759 ( 29.158 45.123 -5.367) 53.991 9.911 ( -3.204 -5.319 -27.048) 27.751 12.123 ( 6.449 60.517 -4.464) 61.023 13.043 ( 26.126 -2.109 4.690) 26.627 15.153 ( -14.485 22.389 -1.435) 26.704 15.710 ( -6.386 1.069 -3.314) 7.274 18.789 ( 17.014 -15.097 -12.067) 25.750 19.828 ( -11.473 5.748 3.730) 13.363 22.627 ( -4.934 -14.401 9.454) 17.920 ======================= Grid point 1971 (675/891) ======================= q-point: ( 0.57 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( 1.005 0.652 1.619) 2.014 3.383 ( 0.113 1.846 0.762) 2.000 6.917 ( 2.772 1.165 34.771) 34.900 8.717 ( 33.241 45.161 -5.158) 56.313 9.676 ( -5.304 -10.754 -22.509) 25.503 12.844 ( 14.094 52.434 0.814) 54.302 13.524 ( 29.780 0.716 4.099) 30.069 15.070 ( -20.309 22.376 -3.923) 30.472 15.608 ( -3.724 -0.993 -3.519) 5.220 18.910 ( 16.476 -14.939 -8.723) 23.890 19.684 ( -13.203 6.769 2.030) 14.975 22.414 ( -6.823 -14.159 7.668) 17.488 ======================= Grid point 1972 (676/891) ======================= q-point: ( 0.62 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( 1.131 0.563 0.812) 1.502 3.399 ( -0.090 1.200 0.297) 1.240 7.052 ( 3.044 -0.630 24.197) 24.396 9.278 ( -5.875 -4.821 -15.796) 17.529 9.834 ( 31.441 40.146 -4.091) 51.157 13.595 ( 21.288 40.309 3.049) 45.687 14.049 ( 28.945 2.632 4.140) 29.358 14.902 ( -22.043 20.194 -5.478) 30.392 15.554 ( -1.554 0.762 -3.972) 4.332 18.911 ( 1.895 -17.465 -5.011) 18.268 19.592 ( -3.557 6.490 -0.251) 7.405 22.173 ( -8.106 -13.516 6.026) 16.873 ======================= Grid point 1973 (677/891) ======================= q-point: ( 0.67 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( 1.140 0.501 0.139) 1.253 3.406 ( -0.207 0.605 0.226) 0.678 7.139 ( 2.384 -2.001 13.311) 13.670 9.005 ( -9.050 -10.859 -8.993) 16.754 10.808 ( 28.815 50.806 -2.143) 58.448 14.343 ( 25.311 30.393 4.030) 39.757 14.525 ( 14.197 9.691 4.033) 17.656 14.730 ( -8.675 9.964 -5.713) 14.394 15.539 ( 0.127 1.062 -4.701) 4.821 18.603 ( -13.731 -20.750 -1.921) 24.956 19.682 ( 6.246 4.969 -2.444) 8.347 21.921 ( -8.566 -12.608 4.844) 15.994 ======================= Grid point 1974 (678/891) ======================= q-point: ( 0.71 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( 1.027 0.506 -0.463) 1.235 3.406 ( -0.221 0.082 0.401) 0.465 7.162 ( -0.104 -2.724 3.708) 4.602 8.759 ( -6.077 -9.293 -1.877) 11.261 11.721 ( 18.489 55.782 -0.729) 58.770 14.434 ( -27.650 24.339 -4.762) 37.143 14.990 ( 17.560 13.211 3.256) 22.215 15.081 ( 32.424 -0.570 3.952) 32.669 15.579 ( 9.818 -1.392 -5.618) 11.397 18.088 ( -20.094 -24.693 -0.489) 31.839 19.837 ( 6.890 4.853 -3.650) 9.184 21.677 ( -7.934 -11.714 4.508) 14.849 ======================= Grid point 1975 (679/891) ======================= q-point: ( 0.76 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( 0.791 0.587 -1.054) 1.442 3.403 ( -0.149 -0.332 0.690) 0.780 7.096 ( -5.198 -2.536 -1.664) 6.019 8.634 ( 0.854 -6.876 2.283) 7.295 12.469 ( 3.257 59.024 1.151) 59.125 14.161 ( -29.130 21.675 -5.782) 36.766 15.278 ( 9.380 -2.773 -10.011) 13.997 15.406 ( 8.584 1.712 13.796) 16.339 16.011 ( 41.943 -4.284 -3.435) 42.301 17.481 ( -22.515 -25.036 0.500) 33.675 19.974 ( 4.589 5.914 -5.183) 9.105 21.462 ( -6.012 -11.080 5.426) 13.724 ======================= Grid point 1976 (680/891) ======================= q-point: (-0.19 0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( 0.440 0.707 -1.646) 1.844 3.399 ( -0.071 -0.605 0.963) 1.139 6.933 ( -11.359 -1.296 -0.546) 11.446 8.673 ( 9.822 -4.835 1.640) 11.070 12.886 ( -23.922 53.302 2.431) 58.474 13.917 ( -18.471 21.842 -6.285) 29.287 15.246 ( -2.342 -5.333 -7.435) 9.445 15.599 ( 10.126 -4.620 8.298) 13.883 16.508 ( 16.927 -32.294 -1.814) 36.507 17.051 ( 6.165 1.341 0.187) 6.312 20.071 ( 1.488 7.214 -7.491) 10.506 21.301 ( -2.744 -10.546 7.915) 13.468 ======================= Grid point 1990 (681/891) ======================= q-point: ( 0.48 0.48 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( 0.000 0.839 3.261) 3.367 3.347 ( 0.000 2.897 2.311) 3.706 6.729 ( 0.000 2.531 47.391) 47.459 7.198 ( -0.000 44.575 -6.610) 45.063 9.968 ( -0.000 0.589 -27.303) 27.309 12.082 ( -0.000 65.055 -9.757) 65.783 12.526 ( 0.000 -5.486 7.311) 9.141 15.377 ( -0.000 16.697 1.026) 16.729 15.897 ( -0.000 8.886 -3.439) 9.528 18.442 ( -0.000 -17.791 -14.377) 22.874 20.034 ( 0.000 5.268 5.085) 7.322 22.712 ( 0.000 -14.536 9.657) 17.451 ======================= Grid point 1991 (682/891) ======================= q-point: ( 0.52 0.48 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( 0.271 0.844 2.763) 2.901 3.378 ( 0.128 2.285 1.147) 2.559 6.870 ( 0.209 1.084 39.947) 39.962 7.758 ( 18.037 42.362 -5.208) 46.336 9.832 ( -2.948 -6.994 -26.320) 27.393 12.545 ( 5.781 14.640 5.113) 16.550 12.792 ( 10.600 45.823 -2.159) 47.082 15.495 ( -3.965 15.666 -0.113) 16.160 15.879 ( -9.878 6.332 -4.030) 12.406 18.350 ( 12.066 -14.958 -11.570) 22.432 20.049 ( -6.213 5.561 3.987) 9.242 22.575 ( -2.555 -14.468 7.850) 16.658 ======================= Grid point 1992 (683/891) ======================= q-point: ( 0.57 0.48 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( 0.468 0.803 2.200) 2.388 3.401 ( 0.012 1.712 0.236) 1.728 6.983 ( 1.003 -0.631 31.663) 31.685 8.564 ( 30.998 40.708 -4.464) 51.361 9.605 ( -5.528 -10.139 -21.384) 24.303 12.854 ( 21.865 -0.297 6.872) 22.922 13.440 ( 7.096 54.548 -1.164) 55.020 15.557 ( -8.984 19.140 -1.307) 21.184 15.701 ( -12.533 1.954 -5.069) 13.660 18.449 ( 17.410 -12.935 -8.433) 23.271 19.958 ( -11.003 3.949 3.437) 12.185 22.394 ( -4.795 -13.989 5.828) 15.895 ======================= Grid point 1993 (684/891) ======================= q-point: ( 0.62 0.48 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( 0.626 0.730 1.643) 1.904 3.413 ( -0.180 1.168 -0.285) 1.216 7.067 ( 1.528 -2.254 22.850) 23.012 9.279 ( -3.484 -2.287 -15.339) 15.895 9.597 ( 34.973 31.709 -3.712) 47.354 13.298 ( 30.986 -4.427 6.361) 31.941 14.051 ( 6.174 48.287 1.094) 48.692 15.450 ( -20.060 15.329 -5.347) 25.806 15.617 ( -4.005 8.389 -2.527) 9.633 18.565 ( 13.492 -16.396 -5.937) 22.048 19.805 ( -11.364 3.688 3.118) 12.348 22.181 ( -6.539 -13.142 3.793) 15.161 ======================= Grid point 1994 (685/891) ======================= q-point: ( 0.67 0.48 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( 0.738 0.663 1.120) 1.496 3.416 ( -0.335 0.644 -0.443) 0.851 7.119 ( 1.638 -3.377 14.132) 14.622 9.029 ( -8.788 -9.364 -9.959) 16.251 10.641 ( 41.891 40.972 -2.302) 58.641 13.821 ( 36.140 -8.119 5.417) 37.434 14.576 ( 5.956 37.425 3.781) 38.084 15.268 ( -18.982 19.077 -6.209) 27.619 15.610 ( -6.597 9.430 -2.876) 11.863 18.479 ( 0.002 -24.195 -3.461) 24.442 19.724 ( -3.564 5.907 2.086) 7.207 21.947 ( -7.653 -12.139 2.068) 14.498 ======================= Grid point 1995 (686/891) ======================= q-point: ( 0.71 0.48 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( 0.778 0.649 0.606) 1.180 3.413 ( -0.396 0.160 -0.328) 0.539 7.137 ( 1.084 -3.678 6.454) 7.507 8.783 ( -7.794 -7.965 -4.503) 12.019 11.729 ( 38.316 44.719 -1.567) 58.910 14.360 ( 37.664 -12.067 3.755) 39.728 14.937 ( -1.930 16.545 6.852) 18.011 15.200 ( -12.347 34.702 -6.615) 37.422 15.557 ( -6.630 4.561 -3.645) 8.834 18.096 ( -12.225 -29.445 -1.335) 31.910 19.800 ( 3.616 6.775 0.655) 7.708 21.707 ( -7.942 -11.257 1.027) 13.815 ======================= Grid point 1996 (687/891) ======================= q-point: ( 0.76 0.48 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( 0.711 0.715 0.051) 1.010 3.405 ( -0.339 -0.254 -0.036) 0.425 7.119 ( -0.794 -2.888 1.107) 3.194 8.603 ( -4.344 -6.100 -0.567) 7.510 12.747 ( 28.187 49.718 -0.453) 57.154 14.819 ( 5.954 2.268 -1.166) 6.477 14.868 ( 1.873 3.250 1.187) 3.934 15.427 ( -4.962 8.320 10.431) 14.235 15.530 ( 11.351 8.670 -11.060) 18.065 17.555 ( -16.769 -28.626 -0.120) 33.176 19.946 ( 5.154 7.084 -0.687) 8.787 21.476 ( -7.125 -10.728 1.079) 12.924 ======================= Grid point 1997 (688/891) ======================= q-point: ( 0.81 0.48 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( 0.502 0.849 -0.575) 1.142 3.397 ( -0.188 -0.566 0.338) 0.686 7.057 ( -4.557 -0.945 -0.348) 4.667 8.528 ( 1.960 -4.716 0.724) 5.158 13.581 ( 8.821 53.711 1.703) 54.457 14.508 ( -33.630 15.630 -3.604) 37.259 15.140 ( 13.898 -6.878 -7.058) 17.038 15.387 ( 5.418 -12.099 8.535) 15.767 15.865 ( 21.886 -6.785 -1.493) 22.962 17.074 ( -10.852 -15.223 0.348) 18.698 20.090 ( 3.557 8.025 -2.673) 9.176 21.276 ( -4.801 -10.589 2.785) 11.956 ======================= Grid point 2012 (689/891) ======================= q-point: ( 0.52 0.52 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( 0.000 0.872 2.757) 2.891 3.400 ( -0.000 1.905 0.400) 1.946 6.974 ( 0.000 -1.060 34.539) 34.555 7.984 ( -0.000 39.856 -4.909) 40.157 9.713 ( -0.000 -8.489 -23.871) 25.335 12.445 ( 0.000 -7.398 8.120) 10.985 13.345 ( -0.000 65.447 -2.571) 65.498 15.640 ( -0.000 10.671 -0.933) 10.712 16.040 ( -0.000 7.952 -3.554) 8.710 18.088 ( -0.000 -10.191 -9.920) 14.222 20.154 ( 0.000 2.869 4.088) 4.994 22.477 ( 0.000 -14.167 5.911) 15.351 ======================= Grid point 2013 (690/891) ======================= q-point: ( 0.57 0.52 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 0.138 0.837 2.593) 2.728 3.416 ( -0.023 1.474 -0.314) 1.507 7.044 ( 0.054 -2.739 27.856) 27.990 8.501 ( 18.473 36.949 -4.151) 41.517 9.534 ( -3.680 -9.254 -19.666) 22.043 12.508 ( 13.555 -8.062 8.227) 17.788 13.958 ( 0.764 59.828 -0.979) 59.840 15.711 ( -2.010 7.149 -2.047) 7.703 16.012 ( -10.485 10.196 -3.721) 15.091 18.085 ( 10.593 -6.848 -7.139) 14.494 20.129 ( -5.708 -0.213 4.339) 7.173 22.336 ( -2.467 -13.430 3.664) 14.138 ======================= Grid point 2014 (691/891) ======================= q-point: ( 0.62 0.52 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( 0.245 0.770 2.325) 2.461 3.425 ( -0.166 1.032 -0.822) 1.330 7.082 ( 0.451 -4.255 20.889) 21.323 9.240 ( 16.871 20.500 -9.109) 28.069 9.345 ( 10.131 4.982 -9.064) 14.478 12.772 ( 24.505 -8.938 7.780) 27.219 14.502 ( -0.045 50.930 0.662) 50.934 15.664 ( -7.061 1.198 -4.500) 8.458 15.962 ( -10.753 20.058 -2.148) 22.860 18.195 ( 11.961 -9.845 -4.824) 16.225 20.001 ( -9.011 -1.758 4.781) 10.351 22.159 ( -4.615 -12.344 1.299) 13.243 ======================= Grid point 2015 (692/891) ======================= q-point: ( 0.67 0.52 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( 0.358 0.706 1.996) 2.148 3.426 ( -0.343 0.598 -1.045) 1.252 7.096 ( 0.914 -5.462 14.182) 15.225 9.063 ( -8.141 -7.003 -10.431) 14.971 10.253 ( 43.925 32.337 -2.476) 54.600 13.175 ( 31.513 -10.215 7.055) 33.870 14.926 ( -1.630 37.409 3.523) 37.610 15.537 ( -7.382 4.216 -7.393) 11.266 15.994 ( -12.564 25.946 -0.502) 28.833 18.199 ( 4.840 -19.054 -3.222) 19.922 19.863 ( -6.843 0.317 5.018) 8.492 21.953 ( -6.306 -11.171 -0.860) 12.857 ======================= Grid point 2016 (693/891) ======================= q-point: ( 0.71 0.52 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( 0.466 0.685 1.618) 1.817 3.420 ( -0.471 0.192 -0.999) 1.121 7.090 ( 1.396 -6.074 8.179) 10.283 8.841 ( -8.447 -4.918 -6.345) 11.653 11.343 ( 49.184 32.117 -2.096) 58.779 13.646 ( 34.662 -12.048 6.136) 37.205 15.160 ( -4.220 16.444 9.004) 19.217 15.495 ( -3.386 11.985 -12.766) 17.835 16.019 ( -18.842 32.533 1.360) 37.620 17.946 ( -5.788 -29.321 -1.838) 29.943 19.837 ( -0.315 3.995 4.583) 6.088 21.730 ( -7.404 -10.186 -2.473) 12.833 ======================= Grid point 2017 (694/891) ======================= q-point: ( 0.76 0.52 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( 0.529 0.735 1.158) 1.470 3.409 ( -0.496 -0.163 -0.742) 0.907 7.074 ( 1.761 -5.814 3.360) 6.942 8.656 ( -7.563 -2.498 -3.038) 8.525 12.482 ( 49.203 33.006 -1.875) 59.277 14.115 ( 34.417 -14.932 4.983) 37.846 15.194 ( -5.729 5.387 9.741) 12.519 15.522 ( -3.285 7.780 -13.348) 15.795 15.984 ( -25.573 35.052 2.938) 43.489 17.487 ( -10.592 -31.820 -0.918) 33.549 19.936 ( 4.139 5.902 3.818) 8.158 21.499 ( -7.687 -9.573 -3.252) 12.700 ======================= Grid point 2034 (695/891) ======================= q-point: ( 0.57 0.57 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( 0.000 0.788 2.791) 2.900 3.427 ( -0.000 1.147 -0.857) 1.431 7.080 ( 0.000 -4.816 23.430) 23.920 8.670 ( -0.000 33.300 -3.852) 33.522 9.430 ( -0.000 -8.097 -17.114) 18.933 12.333 ( 0.000 -9.109 9.067) 12.853 14.511 ( -0.000 54.983 -0.609) 54.986 15.793 ( -0.000 6.514 -2.054) 6.830 16.160 ( -0.000 6.481 -3.674) 7.450 17.949 ( -0.000 -0.155 -4.808) 4.810 20.167 ( 0.000 -4.188 5.206) 6.681 22.238 ( 0.000 -12.460 1.182) 12.516 ======================= Grid point 2035 (696/891) ======================= q-point: ( 0.62 0.57 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( 0.050 0.707 2.813) 2.901 3.433 ( -0.084 0.777 -1.306) 1.523 7.083 ( -0.005 -6.655 18.550) 19.708 9.125 ( 18.886 29.365 -3.506) 35.090 9.283 ( -3.636 -6.267 -13.690) 15.489 12.383 ( 13.470 -9.593 9.161) 18.904 14.993 ( -1.414 46.298 -0.205) 46.320 15.786 ( -6.203 3.004 -2.682) 7.395 16.207 ( -0.857 11.150 -2.745) 11.515 17.996 ( 4.336 0.279 -2.606) 5.067 20.089 ( -4.427 -6.524 6.160) 10.006 22.103 ( -2.380 -11.200 -1.445) 11.540 ======================= Grid point 2036 (697/891) ======================= q-point: ( 0.67 0.57 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( 0.106 0.637 2.698) 2.774 3.432 ( -0.224 0.416 -1.562) 1.632 7.058 ( 0.416 -8.335 13.592) 15.950 9.107 ( -6.753 -3.542 -10.534) 13.005 9.846 ( 35.550 25.394 -2.690) 43.771 12.632 ( 23.847 -9.847 8.685) 27.222 15.332 ( -4.784 32.161 2.759) 32.632 15.669 ( -7.319 2.613 -6.488) 10.124 16.350 ( -0.563 20.683 -0.374) 20.694 18.009 ( -0.097 -7.315 -1.266) 7.425 19.960 ( -5.214 -5.198 7.032) 10.181 21.936 ( -4.500 -9.914 -3.901) 11.565 ======================= Grid point 2037 (698/891) ======================= q-point: ( 0.71 0.57 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( 0.202 0.608 2.474) 2.556 3.425 ( -0.375 0.094 -1.575) 1.622 7.016 ( 1.302 -9.733 8.782) 13.174 8.936 ( -8.286 -0.277 -7.307) 11.051 10.768 ( 47.674 21.519 -2.305) 52.356 13.017 ( 29.920 -9.801 7.974) 32.479 15.419 ( -8.967 7.062 10.320) 15.387 15.633 ( -3.303 14.011 -13.978) 20.065 16.562 ( -4.645 30.429 1.510) 30.818 17.799 ( -9.351 -20.096 -0.501) 22.170 19.891 ( -1.583 -0.586 7.480) 7.668 21.741 ( -6.223 -8.839 -5.897) 12.314 ======================= Grid point 2038 (699/891) ======================= q-point: (-0.24 -0.43 -0.81) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( 0.317 0.640 2.137) 2.253 3.413 ( -0.480 -0.169 -1.360) 1.452 6.968 ( 2.713 -10.555 4.323) 11.724 8.788 ( -9.009 3.171 -4.342) 10.491 11.816 ( 55.397 16.546 -2.213) 57.858 13.466 ( 31.437 -9.031 7.194) 33.490 15.335 ( -6.390 -1.069 8.873) 10.987 15.657 ( -5.151 11.039 -11.368) 16.662 16.751 ( -16.137 39.261 2.674) 42.532 17.331 ( -12.756 -33.105 -0.652) 35.483 19.938 ( 2.817 3.124 7.568) 8.659 21.526 ( -7.387 -8.074 -7.272) 13.140 ======================= Grid point 2056 (700/891) ======================= q-point: ( 0.62 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( 0.000 0.602 3.101) 3.159 3.435 ( -0.000 0.442 -1.714) 1.770 7.054 ( 0.000 -9.272 15.704) 18.237 9.212 ( -0.000 24.373 -3.165) 24.578 9.234 ( -0.000 -2.875 -12.383) 12.713 12.204 ( 0.000 -9.435 10.001) 13.749 15.414 ( -0.000 37.891 -2.767) 37.992 15.885 ( 0.000 3.695 1.294) 3.916 16.246 ( -0.000 4.490 -3.797) 5.880 18.014 ( -0.000 7.925 -0.214) 7.927 20.065 ( 0.000 -9.330 7.488) 11.964 22.013 ( -0.000 -9.875 -4.270) 10.758 ======================= Grid point 2057 (701/891) ======================= q-point: ( 0.67 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( 0.002 0.514 3.204) 3.245 3.432 ( -0.068 0.099 -1.985) 1.988 6.993 ( 0.202 -11.863 12.201) 17.019 9.159 ( -4.096 1.234 -10.116) 10.983 9.581 ( 19.813 18.863 -2.787) 27.498 12.256 ( 13.039 -8.618 10.009) 18.560 15.688 ( -2.376 25.512 -6.844) 26.521 15.812 ( -10.460 0.463 3.630) 11.082 16.391 ( 10.286 8.278 -1.129) 13.252 18.067 ( -4.883 7.450 1.480) 9.030 19.976 ( -2.138 -8.291 8.690) 12.199 21.889 ( -2.336 -8.603 -6.897) 11.271 ======================= Grid point 2058 (702/891) ======================= q-point: (-0.29 -0.38 -0.81) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( 0.037 0.470 3.148) 3.183 3.424 ( -0.148 -0.181 -2.048) 2.061 6.905 ( 1.061 -14.207 8.168) 16.422 9.071 ( -7.161 5.619 -7.339) 11.693 10.207 ( 36.972 12.563 -2.310) 39.116 12.514 ( 22.925 -6.870 9.394) 25.710 15.629 ( -10.476 -2.641 3.751) 11.436 15.805 ( -4.119 15.194 -7.738) 17.542 16.676 ( 12.120 8.749 0.538) 14.957 17.953 ( -16.233 3.477 2.877) 16.849 19.915 ( -0.856 -3.272 9.582) 10.161 21.731 ( -4.459 -7.536 -9.094) 12.624 ======================= Grid point 2059 (703/891) ======================= q-point: (-0.24 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( 0.129 0.477 2.935) 2.976 3.413 ( -0.244 -0.367 -1.868) 1.919 6.806 ( 2.721 -15.975 3.920) 16.673 8.992 ( -9.169 9.769 -4.433) 14.113 11.017 ( 49.640 4.459 -1.881) 49.876 12.924 ( 28.575 -3.615 8.431) 30.011 15.443 ( -8.138 -5.824 4.464) 10.958 15.817 ( -5.273 8.770 -7.172) 12.496 16.894 ( 9.474 -7.970 -0.708) 12.401 17.649 ( -27.300 13.823 4.470) 30.925 19.944 ( 1.843 1.387 10.300) 10.555 21.544 ( -6.216 -6.659 -10.792) 14.123 ======================= Grid point 2078 (704/891) ======================= q-point: (-0.33 -0.33 -0.81) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( 0.000 0.405 3.525) 3.548 3.426 ( -0.000 -0.280 -2.290) 2.307 6.889 ( 0.000 -15.533 9.757) 18.343 9.207 ( -0.000 6.859 -8.781) 11.142 9.553 ( -0.000 11.890 -2.616) 12.174 12.100 ( 0.000 -6.749 10.648) 12.607 15.808 ( -0.000 5.418 -13.391) 14.446 16.037 ( 0.000 8.888 13.171) 15.890 16.289 ( -0.000 2.112 -3.914) 4.448 18.232 ( 0.000 12.627 3.641) 13.142 19.940 ( 0.000 -7.019 10.049) 12.257 21.808 ( -0.000 -7.427 -9.618) 12.152 ======================= Grid point 2079 (705/891) ======================= q-point: (-0.29 -0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( -0.027 0.342 3.662) 3.678 3.415 ( 0.042 -0.608 -2.414) 2.490 6.751 ( 0.704 -18.757 6.351) 19.816 9.238 ( -4.628 12.052 -6.443) 14.429 9.797 ( 20.219 4.389 -2.177) 20.804 12.186 ( 12.810 -3.996 10.364) 16.955 15.724 ( -6.034 -6.202 -5.866) 10.454 16.012 ( -8.085 7.275 1.815) 11.027 16.467 ( 14.027 -1.271 0.087) 14.085 18.282 ( -9.794 11.536 5.470) 16.092 19.924 ( -0.056 -1.363 11.045) 11.129 21.691 ( -2.303 -6.427 -11.897) 13.717 ======================= Grid point 2080 (706/891) ======================= q-point: (-0.24 -0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.238 ( -0.013 0.314 3.586) 3.599 3.403 ( 0.103 -0.791 -2.274) 2.410 6.593 ( 2.240 -21.172 2.467) 21.432 9.253 ( -8.109 16.279 -3.712) 18.562 10.279 ( 36.989 -4.151 -1.488) 37.251 12.497 ( 22.859 -0.183 9.324) 24.688 15.501 ( -7.733 -12.259 -0.570) 14.505 15.957 ( -5.558 4.286 -2.659) 7.505 16.610 ( 9.522 -13.484 -0.792) 16.526 18.195 ( -16.456 16.224 6.718) 24.065 19.975 ( 0.585 3.553 12.021) 12.549 21.541 ( -4.394 -5.460 -13.718) 15.404 ======================= Grid point 2100 (707/891) ======================= q-point: (-0.29 -0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( 0.000 0.266 4.030) 4.039 3.399 ( -0.000 -1.069 -2.639) 2.847 6.558 ( 0.000 -22.671 3.586) 22.953 9.411 ( -0.000 18.097 -4.667) 18.689 9.621 ( -0.000 -3.703 -1.897) 4.161 12.081 ( 0.000 -1.152 10.621) 10.684 15.663 ( -0.000 -13.643 -6.783) 15.236 16.169 ( 0.000 -1.850 6.469) 6.728 16.283 ( -0.000 -0.409 -4.017) 4.037 18.482 ( 0.000 8.593 7.642) 11.499 19.972 ( 0.000 4.904 11.927) 12.896 21.616 ( -0.000 -5.437 -14.204) 15.209 ======================= Grid point 2101 (708/891) ======================= q-point: (-0.24 -0.29 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.252 ( -0.087 0.206 4.160) 4.166 3.381 ( 0.292 -1.385 -2.591) 2.953 6.340 ( 1.380 -25.593 0.357) 25.633 9.539 ( -4.666 19.250 -2.667) 19.986 9.727 ( 19.177 -8.360 -1.060) 20.947 12.226 ( 13.160 1.933 9.941) 16.606 15.433 ( -4.135 -22.363 -3.603) 23.026 16.067 ( -5.814 -1.670 0.672) 6.086 16.351 ( 7.169 -8.774 -1.885) 11.486 18.524 ( -5.983 8.648 9.017) 13.852 20.075 ( -0.861 9.467 12.826) 15.965 21.507 ( -2.226 -4.272 -16.016) 16.725 ======================= Grid point 2122 (709/891) ======================= q-point: (-0.24 -0.24 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( 0.000 0.152 4.653) 4.656 3.354 ( -0.000 -1.989 -2.776) 3.415 6.060 ( 0.000 -28.999 -2.021) 29.069 9.396 ( 0.000 -18.169 -1.108) 18.203 9.838 ( -0.000 27.086 -0.860) 27.100 12.167 ( 0.000 3.481 9.979) 10.569 15.185 ( 0.000 -33.183 -3.349) 33.351 16.072 ( 0.000 -9.517 1.582) 9.648 16.228 ( -0.000 -2.789 -4.105) 4.963 18.650 ( 0.000 4.407 10.631) 11.508 20.237 ( 0.000 13.057 13.474) 18.763 21.444 ( -0.000 -2.591 -17.668) 17.856 ======================= Grid point 2321 (710/891) ======================= q-point: ( 0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.000 -0.000 28.215) 28.215 1.170 ( 0.000 -0.000 28.215) 28.215 4.093 ( -0.000 0.000 -21.502) 21.502 4.093 ( -0.000 0.000 -21.502) 21.502 4.441 ( 0.000 -0.000 101.012) 101.012 12.727 ( 0.000 -0.000 7.519) 7.519 12.727 ( 0.000 -0.000 7.519) 7.519 12.748 ( -0.000 0.000 -53.180) 53.180 15.112 ( -0.000 0.000 -3.943) 3.943 15.112 ( -0.000 0.000 -3.943) 3.943 23.261 ( 0.000 -0.000 20.737) 20.737 25.568 ( -0.000 0.000 -9.732) 9.732 ======================= Grid point 2322 (711/891) ======================= q-point: ( 0.29 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 23.669 13.665 24.567) 36.749 1.906 ( 41.076 23.715 22.725) 52.594 4.108 ( 7.395 4.269 -22.399) 23.971 4.294 ( 24.145 13.940 -22.680) 35.940 4.750 ( 3.691 2.131 97.344) 97.437 12.425 ( -9.013 -5.203 -40.301) 41.623 12.797 ( 2.003 1.157 7.428) 7.780 12.942 ( 13.876 8.011 -7.629) 17.746 15.089 ( 0.843 0.486 -3.982) 4.099 15.786 ( 50.005 28.871 -19.342) 60.895 23.254 ( -6.545 -3.779 20.830) 22.158 24.777 ( -57.312 -33.089 11.569) 67.182 ======================= Grid point 2323 (712/891) ======================= q-point: ( 0.33 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 24.525 14.160 21.039) 35.279 2.663 ( 19.591 11.311 17.438) 28.563 4.321 ( 18.072 10.434 -22.426) 30.633 4.874 ( 15.482 8.939 43.036) 46.602 5.405 ( 47.838 27.619 29.166) 62.465 12.103 ( -8.945 -5.164 -47.442) 48.554 12.855 ( 1.401 0.809 6.395) 6.596 13.316 ( 20.367 11.759 -1.325) 23.556 15.127 ( 3.502 2.022 -3.314) 5.228 16.850 ( 47.116 27.203 -26.457) 60.497 22.945 ( -34.170 -19.728 21.819) 45.087 23.657 ( -34.812 -20.099 20.838) 45.278 ======================= Grid point 2324 (713/891) ======================= q-point: ( 0.38 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 15.353 8.864 16.455) 24.188 2.968 ( 6.746 3.895 10.490) 13.066 4.808 ( 30.569 17.649 -18.899) 40.039 5.268 ( 7.982 4.608 70.405) 71.005 6.852 ( 72.078 41.614 1.522) 83.242 11.756 ( -9.847 -5.685 -49.739) 51.022 12.894 ( 0.674 0.389 4.630) 4.695 13.817 ( 23.815 13.749 2.270) 27.592 15.223 ( 5.654 3.264 -2.107) 6.860 17.673 ( 32.262 18.626 -20.488) 42.515 21.988 ( -46.514 -26.855 15.809) 55.988 23.293 ( -11.744 -6.781 17.764) 22.348 ======================= Grid point 2325 (714/891) ======================= q-point: ( 0.43 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 7.999 4.618 11.002) 14.365 3.093 ( 3.257 1.881 5.289) 6.490 5.538 ( 37.786 21.815 -13.411) 45.646 5.656 ( 9.300 5.370 68.600) 69.435 8.498 ( 73.751 42.580 -0.627) 85.162 11.386 ( -10.814 -6.244 -48.004) 49.601 12.910 ( -0.151 -0.087 2.485) 2.491 14.363 ( 23.659 13.660 4.162) 27.635 15.362 ( 7.028 4.058 -0.674) 8.143 18.166 ( 15.816 9.131 -12.203) 21.964 21.129 ( -31.623 -18.257 3.708) 36.703 23.092 ( -11.146 -6.435 15.820) 20.394 ======================= Grid point 2326 (715/891) ======================= q-point: ( 0.48 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( 4.543 2.623 7.268) 8.964 3.161 ( 2.233 1.289 1.566) 3.017 6.064 ( 10.692 6.173 61.300) 62.531 6.372 ( 39.054 22.548 -9.192) 46.023 10.042 ( 58.881 33.995 -5.680) 68.227 11.060 ( -1.550 -0.895 -37.928) 37.970 12.899 ( -1.220 -0.704 0.235) 1.428 14.874 ( 20.580 11.882 4.748) 24.233 15.527 ( 7.609 4.393 0.720) 8.815 18.311 ( 0.405 0.234 -7.806) 7.820 20.631 ( -12.914 -7.456 -5.102) 15.761 22.873 ( -12.375 -7.145 14.105) 20.078 ======================= Grid point 2327 (716/891) ======================= q-point: ( 0.52 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 1.739 1.004 -0.837) 2.175 3.238 ( 2.893 1.670 5.148) 6.137 6.469 ( 11.214 6.474 50.875) 52.497 7.204 ( 37.012 21.369 -6.343) 43.206 10.332 ( -12.524 -7.231 -34.520) 37.427 11.845 ( 61.155 35.308 -0.917) 70.622 12.854 ( -2.684 -1.550 -2.010) 3.694 15.295 ( 15.985 9.229 3.873) 18.860 15.700 ( 7.510 4.336 1.943) 8.886 18.210 ( -5.349 -3.088 -9.241) 11.114 20.471 ( -1.692 -0.977 -7.251) 7.509 22.618 ( -13.816 -7.976 12.773) 20.436 ======================= Grid point 2328 (717/891) ======================= q-point: ( 0.57 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.236 ( 1.332 0.769 -2.146) 2.641 3.304 ( 1.889 1.091 3.961) 4.522 6.840 ( 10.531 6.080 37.838) 39.744 7.974 ( 33.040 19.075 -4.190) 38.380 9.872 ( -18.708 -10.801 -27.579) 35.032 12.766 ( -4.488 -2.591 -4.258) 6.707 13.190 ( 56.872 32.835 3.146) 65.745 15.614 ( 12.266 7.082 0.979) 14.198 15.868 ( 6.835 3.946 2.947) 8.425 18.086 ( -2.402 -1.387 -11.484) 11.814 20.445 ( 0.043 0.025 -6.785) 6.785 22.333 ( -14.725 -8.502 12.084) 20.860 ======================= Grid point 2329 (718/891) ======================= q-point: ( 0.62 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.254 ( 0.977 0.564 -2.741) 2.964 3.347 ( 1.113 0.642 3.281) 3.523 7.132 ( 7.412 4.279 21.833) 23.451 8.643 ( 27.503 15.879 -2.241) 31.836 9.392 ( -17.728 -10.235 -15.898) 25.919 12.630 ( -6.218 -3.590 -6.550) 9.719 14.349 ( 44.703 25.809 6.534) 52.030 15.869 ( 11.519 6.651 -4.361) 13.998 16.018 ( 5.638 3.255 3.713) 7.495 18.050 ( 2.041 1.179 -11.176) 11.422 20.402 ( -2.558 -1.477 -7.175) 7.759 22.041 ( -14.160 -8.175 12.273) 20.444 ======================= Grid point 2330 (719/891) ======================= q-point: ( 0.67 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.265 ( 0.719 0.415 -3.012) 3.124 3.373 ( 0.417 0.241 2.894) 2.934 7.246 ( -1.737 -1.003 3.156) 3.739 9.058 ( -8.356 -4.824 -0.837) 9.685 9.175 ( 20.081 11.594 -0.273) 23.190 12.458 ( -6.985 -4.033 -8.843) 11.969 15.173 ( 26.038 15.033 11.337) 32.132 16.114 ( 12.142 7.010 -11.757) 18.297 16.137 ( 3.966 2.290 4.223) 6.229 18.119 ( 6.859 3.960 -8.423) 11.561 20.285 ( -5.651 -3.263 -9.189) 11.271 21.786 ( -11.655 -6.729 13.253) 18.888 ======================= Grid point 2331 (720/891) ======================= q-point: ( 0.71 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.270 ( 0.566 0.327 -3.268) 3.333 3.382 ( -0.258 -0.149 2.700) 2.717 7.046 ( -14.772 -8.529 -8.251) 18.948 9.057 ( 6.898 3.983 8.409) 11.583 9.517 ( 9.940 5.739 1.501) 11.575 12.286 ( -5.488 -3.168 -10.768) 12.494 15.573 ( 7.446 4.299 13.392) 15.914 16.216 ( 1.928 1.113 4.456) 4.981 16.287 ( 5.158 2.978 -15.402) 16.513 18.312 ( 11.579 6.685 -5.448) 14.438 20.129 ( -4.434 -2.560 -12.063) 13.105 21.602 ( -8.394 -4.846 14.496) 17.438 ======================= Grid point 2332 (721/891) ======================= q-point: (-0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( 0.441 0.254 -3.747) 3.781 3.376 ( -0.955 -0.551 2.661) 2.880 6.600 ( -22.152 -12.790 -6.396) 26.367 9.364 ( 17.516 10.113 6.612) 21.280 9.604 ( -2.971 -1.715 2.184) 4.067 12.175 ( -1.296 -0.748 -11.362) 11.460 15.593 ( -9.225 -5.326 9.559) 14.313 16.241 ( -4.860 -2.806 -10.387) 11.806 16.247 ( -0.280 -0.161 4.409) 4.421 18.541 ( 8.853 5.111 -6.274) 11.995 20.081 ( 4.436 2.561 -13.743) 14.666 21.489 ( -5.620 -3.245 15.848) 17.125 ======================= Grid point 2343 (722/891) ======================= q-point: ( 0.29 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 0.000 27.683 25.125) 37.385 1.954 ( 0.000 45.970 23.164) 51.476 4.050 ( -0.000 8.798 -23.519) 25.110 4.221 ( -0.000 28.612 -24.221) 37.487 5.020 ( 0.000 2.197 97.647) 97.671 12.316 ( -0.000 -8.566 -50.731) 51.449 12.715 ( 0.000 -2.871 7.362) 7.902 13.014 ( -0.000 19.013 0.589) 19.022 15.160 ( -0.000 5.036 -3.851) 6.340 15.683 ( -0.000 55.272 -17.901) 58.099 23.314 ( 0.000 -7.477 21.114) 22.399 24.787 ( 0.000 -64.780 8.344) 65.315 ======================= Grid point 2344 (723/891) ======================= q-point: ( 0.33 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 13.702 27.051 22.932) 38.018 2.564 ( 15.175 23.163 19.408) 33.816 4.165 ( 8.683 15.718 -23.930) 29.918 4.732 ( 23.686 42.789 -15.350) 51.259 5.379 ( 8.350 10.973 86.521) 87.613 12.027 ( -6.109 -7.706 -51.900) 52.824 12.812 ( 8.978 -1.448 6.001) 10.896 13.230 ( 3.864 19.997 0.957) 20.389 15.168 ( -2.436 7.736 -3.451) 8.815 16.483 ( 30.470 51.017 -23.971) 64.076 23.170 ( -12.935 -22.755 21.550) 33.904 23.927 ( -25.689 -50.060 16.803) 58.722 ======================= Grid point 2345 (724/891) ======================= q-point: ( 0.38 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 12.071 17.284 18.952) 28.348 2.923 ( 7.550 6.009 12.230) 15.578 4.544 ( 20.449 26.228 -21.095) 39.383 5.380 ( 10.022 14.204 51.339) 54.202 6.296 ( 48.416 49.554 20.625) 72.285 11.692 ( -7.496 -7.304 -52.830) 53.857 12.947 ( 2.443 4.738 5.115) 7.388 13.568 ( 16.648 13.835 1.461) 21.696 15.228 ( 0.786 8.823 -2.132) 9.111 17.364 ( 28.784 37.659 -21.286) 51.960 22.388 ( -36.649 -47.369 18.314) 62.629 23.430 ( -9.655 -13.067 16.463) 23.130 ======================= Grid point 2346 (725/891) ======================= q-point: ( 0.43 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( 6.612 7.855 12.632) 16.279 3.072 ( 3.685 2.263 6.802) 8.060 5.215 ( 29.194 34.240 -14.723) 47.344 5.772 ( 6.923 7.484 65.294) 66.086 7.804 ( 63.227 53.642 4.185) 83.022 11.340 ( -8.482 -7.091 -51.632) 52.802 13.012 ( -3.730 9.190 2.933) 10.343 14.036 ( 25.305 7.339 2.780) 26.494 15.344 ( 2.999 9.014 -0.522) 9.514 18.014 ( 17.663 25.395 -13.649) 33.811 21.416 ( -31.602 -37.419 7.873) 49.607 23.227 ( -8.760 -9.394 15.030) 19.771 ======================= Grid point 2347 (726/891) ======================= q-point: ( 0.48 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( 3.853 1.592 6.427) 7.661 3.160 ( 2.277 3.445 4.462) 6.080 6.043 ( 30.907 35.111 -5.358) 47.082 6.147 ( 8.837 8.582 57.184) 58.495 9.374 ( 62.845 45.633 0.894) 77.670 10.999 ( -7.045 -4.605 -46.311) 47.070 13.023 ( -6.847 10.647 0.447) 12.666 14.542 ( 27.346 3.147 3.688) 27.772 15.488 ( 4.262 7.504 0.792) 8.666 18.347 ( 2.124 14.535 -6.681) 16.137 20.720 ( -16.206 -22.971 -2.777) 28.249 23.019 ( -10.077 -9.497 13.332) 19.222 ======================= Grid point 2348 (727/891) ======================= q-point: ( 0.52 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( 2.590 -0.143 1.324) 2.912 3.240 ( 1.785 3.194 4.253) 5.611 6.506 ( 8.999 5.756 52.983) 54.049 6.910 ( 30.282 37.290 -6.789) 48.514 10.285 ( 3.014 -1.735 -29.610) 29.814 11.235 ( 48.604 35.299 -8.870) 60.721 12.993 ( -8.846 10.611 -1.907) 13.945 15.016 ( 24.956 1.468 3.954) 25.310 15.627 ( 5.333 3.630 1.336) 6.588 18.351 ( -10.346 7.536 -5.034) 13.754 20.415 ( -0.821 -10.629 -7.748) 13.179 22.779 ( -11.616 -10.084 11.820) 19.400 ======================= Grid point 2349 (728/891) ======================= q-point: ( 0.57 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 1.950 -0.032 -1.075) 2.227 3.303 ( 1.375 2.056 3.564) 4.339 6.841 ( 8.870 4.820 40.701) 41.934 7.729 ( 26.893 35.780 -4.361) 44.972 9.958 ( -14.050 -11.434 -30.149) 35.172 12.552 ( 56.684 35.441 1.492) 66.868 12.927 ( -8.950 11.442 -3.721) 14.996 15.421 ( 19.483 2.969 3.138) 19.957 15.744 ( 7.489 -1.812 1.127) 7.787 18.204 ( -11.483 6.862 -7.275) 15.227 20.362 ( 4.262 -5.803 -7.571) 10.448 22.504 ( -12.882 -10.536 10.795) 19.836 ======================= Grid point 2350 (729/891) ======================= q-point: ( 0.62 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.230 ( 1.455 0.098 -2.252) 2.683 3.348 ( 0.970 1.203 3.072) 3.439 7.111 ( 7.171 3.073 25.520) 26.686 8.465 ( 21.902 33.289 -2.334) 39.916 9.517 ( -15.667 -11.566 -19.426) 27.507 12.786 ( -11.896 7.718 -6.326) 15.528 13.833 ( 50.506 30.685 4.929) 59.302 15.723 ( 10.795 4.069 -1.737) 11.666 15.881 ( 13.032 -3.175 2.951) 13.734 18.092 ( -6.818 6.662 -8.526) 12.789 20.350 ( 2.468 -5.595 -7.060) 9.340 22.213 ( -13.135 -10.333 10.537) 19.757 ======================= Grid point 2351 (730/891) ======================= q-point: ( 0.67 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( 1.048 0.151 -2.813) 3.006 3.377 ( 0.519 0.578 2.774) 2.881 7.253 ( 1.491 -0.549 7.725) 7.887 9.062 ( 10.859 18.998 -0.463) 21.887 9.169 ( -6.396 2.695 -5.183) 8.662 12.620 ( -13.507 6.755 -8.355) 17.260 14.845 ( 36.833 20.677 8.997) 43.188 15.864 ( 9.665 -4.249 -6.199) 12.244 16.137 ( 11.560 8.699 1.974) 14.602 18.058 ( -0.162 3.469 -7.662) 8.412 20.279 ( -1.645 -6.300 -8.062) 10.362 21.939 ( -11.595 -9.129 11.198) 18.525 ======================= Grid point 2352 (731/891) ======================= q-point: ( 0.71 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( 0.748 0.163 -3.148) 3.239 3.392 ( -0.005 0.123 2.611) 2.614 7.157 ( -9.484 -6.303 -6.371) 13.048 9.009 ( 2.102 -2.557 6.756) 7.523 9.547 ( 5.807 26.427 1.086) 27.080 12.431 ( -13.147 6.735 -10.160) 17.929 15.471 ( 16.780 8.236 13.711) 23.182 15.958 ( 11.321 -8.097 -7.907) 16.008 16.396 ( 3.499 15.648 -2.574) 16.240 18.128 ( 9.724 -0.674 -5.555) 11.219 20.140 ( -4.339 -5.174 -10.395) 12.396 21.723 ( -8.566 -7.310 12.514) 16.835 ======================= Grid point 2353 (732/891) ======================= q-point: (-0.24 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( 0.521 0.140 -3.533) 3.574 3.394 ( -0.619 -0.204 2.554) 2.636 6.810 ( -18.497 -10.291 -7.655) 22.509 9.178 ( 14.098 3.195 7.591) 16.327 9.779 ( -6.220 19.848 2.131) 20.909 12.277 ( -9.836 8.725 -11.023) 17.157 15.652 ( -0.598 -4.386 10.346) 11.253 16.042 ( 9.019 -7.060 -4.449) 12.287 16.477 ( -8.845 11.157 -2.678) 14.487 18.328 ( 16.042 -2.220 -5.334) 17.051 20.024 ( -0.624 -0.498 -12.565) 12.590 21.581 ( -5.501 -5.671 14.085) 16.150 ======================= Grid point 2365 (733/891) ======================= q-point: ( 0.33 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 0.000 28.282 22.728) 36.282 2.717 ( 0.000 18.505 17.027) 25.147 4.196 ( -0.000 21.526 -24.721) 32.779 4.988 ( -0.000 56.517 -11.073) 57.592 5.672 ( 0.000 16.372 82.676) 84.281 11.854 ( -0.000 -7.773 -56.288) 56.822 12.700 ( 0.000 -2.913 7.185) 7.754 13.456 ( -0.000 25.134 2.361) 25.245 15.259 ( -0.000 7.278 -3.844) 8.230 16.717 ( -0.000 59.958 -23.887) 64.541 23.041 ( 0.000 -46.040 22.203) 51.114 23.691 ( 0.000 -38.943 15.538) 41.928 ======================= Grid point 2366 (734/891) ======================= q-point: ( 0.38 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 6.048 19.620 19.354) 28.215 2.920 ( 3.927 6.637 12.055) 14.311 4.485 ( 12.669 31.787 -22.070) 40.718 5.549 ( 6.759 27.913 34.778) 45.104 6.309 ( 20.587 52.988 37.226) 67.951 11.575 ( -5.022 -7.133 -56.008) 56.683 12.812 ( 12.624 -2.031 6.151) 14.188 13.679 ( -2.766 24.899 1.840) 25.119 15.314 ( -0.624 8.996 -3.060) 9.523 17.353 ( 15.710 50.155 -21.508) 56.789 22.370 ( -18.601 -63.295 19.109) 68.683 23.451 ( -4.153 -14.818 15.258) 21.671 ======================= Grid point 2367 (735/891) ======================= q-point: ( 0.43 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( 3.408 7.868 12.003) 14.751 3.057 ( 3.866 3.821 8.419) 10.021 5.102 ( 23.726 41.165 -15.222) 49.892 5.941 ( 4.298 10.708 59.403) 60.513 7.510 ( 41.701 65.243 10.120) 78.090 11.252 ( -6.801 -6.381 -53.911) 54.712 13.055 ( 12.069 2.851 5.097) 13.408 13.881 ( 2.852 18.270 0.517) 18.499 15.404 ( 1.087 9.624 -1.251) 9.765 17.997 ( 15.418 37.126 -15.506) 43.087 21.472 ( -23.493 -53.002 11.164) 59.040 23.288 ( -5.826 -11.487 14.142) 19.128 ======================= Grid point 2368 (736/891) ======================= q-point: ( 0.48 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( 2.364 0.913 5.722) 6.258 3.175 ( 2.330 4.656 6.064) 7.993 5.929 ( 27.705 44.600 -7.670) 53.061 6.274 ( 5.353 8.485 57.200) 58.073 8.909 ( 50.215 56.087 4.468) 75.414 10.937 ( -6.571 -3.639 -49.258) 49.828 13.246 ( -0.102 12.134 2.634) 12.417 14.167 ( 17.152 6.391 0.820) 18.322 15.515 ( 1.920 7.661 0.264) 7.903 18.458 ( 6.183 25.795 -8.136) 27.745 20.701 ( -16.457 -37.615 1.181) 41.075 23.103 ( -7.690 -11.403 12.519) 18.598 ======================= Grid point 2369 (737/891) ======================= q-point: ( 0.52 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 2.197 -0.124 2.429) 3.278 3.257 ( 1.396 3.378 3.870) 5.323 6.575 ( 7.198 5.661 52.288) 53.084 6.839 ( 26.187 47.371 -6.524) 54.519 10.041 ( 23.829 15.096 -14.758) 31.835 10.903 ( 22.087 27.433 -24.454) 42.876 13.305 ( -9.923 17.830 -0.683) 20.417 14.568 ( 26.432 -1.314 2.264) 26.562 15.604 ( 1.988 3.238 0.625) 3.851 18.627 ( -8.515 16.433 -2.699) 18.704 20.253 ( -1.367 -21.732 -6.653) 22.769 22.880 ( -9.429 -11.843 10.904) 18.656 ======================= Grid point 2370 (738/891) ======================= q-point: ( 0.57 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( 1.997 -0.159 0.174) 2.010 3.314 ( 1.009 2.315 2.801) 3.771 6.867 ( 6.741 3.724 41.571) 42.278 7.708 ( 23.690 47.641 -4.512) 53.397 9.955 ( -8.700 -10.665 -29.916) 32.931 12.005 ( 52.202 42.857 -0.244) 67.542 13.271 ( -14.293 19.153 -3.255) 24.119 15.015 ( 28.208 -3.153 3.251) 28.569 15.647 ( 2.361 -1.660 -0.391) 2.912 18.528 ( -16.495 12.178 -2.624) 20.670 20.148 ( 8.105 -12.057 -8.204) 16.685 22.622 ( -10.896 -12.232 9.597) 18.986 ======================= Grid point 2371 (739/891) ======================= q-point: ( 0.62 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( 1.693 -0.032 -1.307) 2.139 3.354 ( 0.766 1.451 2.381) 2.892 7.100 ( 5.865 1.924 27.418) 28.105 8.510 ( 18.828 45.686 -2.400) 49.472 9.586 ( -12.560 -10.977 -21.191) 26.968 13.082 ( 1.175 20.807 -4.549) 21.330 13.359 ( 33.050 32.237 2.361) 46.229 15.461 ( 26.467 -1.355 3.453) 26.725 15.660 ( 3.765 -4.825 -2.340) 6.552 18.353 ( -15.637 10.473 -4.200) 19.283 20.169 ( 7.992 -9.483 -7.253) 14.367 22.339 ( -11.654 -12.132 8.870) 19.018 ======================= Grid point 2372 (740/891) ======================= q-point: ( 0.67 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( 1.319 0.078 -2.191) 2.559 3.382 ( 0.521 0.752 2.253) 2.432 7.238 ( 2.622 -0.651 11.184) 11.506 9.103 ( 2.176 10.095 -2.972) 10.746 9.338 ( -0.666 24.409 -6.176) 25.187 12.981 ( -18.519 16.082 -7.597) 25.677 14.415 ( 42.963 25.933 6.445) 50.596 15.675 ( 5.699 -6.343 -4.552) 9.666 15.899 ( 23.890 3.586 2.425) 24.279 18.186 ( -12.014 5.297 -4.662) 13.933 20.165 ( 4.106 -8.743 -7.288) 12.100 22.059 ( -11.015 -11.211 8.976) 18.099 ======================= Grid point 2373 (741/891) ======================= q-point: ( 0.71 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( 0.947 0.145 -2.718) 2.881 3.399 ( 0.215 0.231 2.236) 2.258 7.210 ( -4.917 -4.419 -3.317) 7.397 8.976 ( -1.925 -7.236 4.041) 8.509 9.818 ( 3.297 43.258 0.501) 43.387 12.787 ( -19.405 15.183 -9.088) 26.262 15.239 ( 27.932 14.074 11.055) 33.174 15.700 ( 7.347 -7.589 -7.450) 12.926 16.346 ( 19.551 11.852 -0.165) 22.864 18.032 ( -4.819 -4.309 -4.053) 7.630 20.097 ( -0.253 -6.684 -8.805) 11.057 21.817 ( -8.689 -9.622 9.985) 16.364 ======================= Grid point 2374 (742/891) ======================= q-point: ( 0.76 0.33 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.238 ( 0.618 0.174 -3.121) 3.187 3.406 ( -0.194 -0.113 2.251) 2.262 6.973 ( -13.809 -7.632 -7.814) 17.607 9.008 ( 9.072 -2.303 7.534) 12.015 10.189 ( -7.688 38.357 1.925) 39.168 12.597 ( -17.139 16.002 -10.032) 25.504 15.607 ( 3.832 -3.969 8.756) 10.349 15.791 ( 14.260 -1.962 -4.256) 15.011 16.684 ( 1.259 14.645 -1.467) 14.772 17.982 ( 12.373 -12.104 -3.956) 17.755 20.002 ( -1.583 -2.185 -10.885) 11.215 21.643 ( -5.555 -8.007 11.633) 15.176 ======================= Grid point 2387 (743/891) ======================= q-point: ( 0.38 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 0.000 15.461 16.969) 22.957 2.974 ( 0.000 3.781 9.831) 10.533 4.648 ( -0.000 38.504 -20.240) 43.499 5.858 ( 0.000 19.575 48.082) 51.914 6.815 ( 0.000 69.108 23.470) 72.985 11.395 ( -0.000 -6.014 -57.696) 58.009 12.684 ( 0.000 -2.940 7.081) 7.667 13.984 ( -0.000 27.434 2.392) 27.538 15.393 ( -0.000 8.718 -3.901) 9.551 17.659 ( -0.000 49.412 -20.323) 53.428 21.928 ( 0.000 -67.533 17.481) 69.759 23.390 ( 0.000 -12.942 14.392) 19.355 ======================= Grid point 2388 (744/891) ======================= q-point: ( 0.43 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 0.687 2.140 7.905) 8.218 3.084 ( 2.564 8.127 10.939) 13.867 5.135 ( 15.592 44.699 -14.784) 49.595 6.164 ( 1.473 10.549 57.730) 58.705 7.727 ( 17.889 74.791 10.919) 77.672 11.143 ( -4.490 -4.218 -55.406) 55.747 12.803 ( 14.325 -2.573 6.374) 15.889 14.187 ( -7.260 26.186 1.151) 27.198 15.474 ( 0.674 9.107 -2.941) 9.594 18.125 ( 8.632 39.725 -16.947) 44.043 21.246 ( -11.066 -59.144 12.851) 61.527 23.283 ( -2.854 -12.416 13.173) 18.325 ======================= Grid point 2389 (745/891) ======================= q-point: ( 0.48 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( 1.242 0.391 5.223) 5.383 3.206 ( 1.687 4.944 6.276) 8.166 5.904 ( 25.372 46.986 -8.032) 53.999 6.447 ( 2.858 8.169 55.025) 55.701 8.842 ( 29.382 64.614 5.998) 71.233 10.881 ( -5.530 0.574 -49.890) 50.198 13.109 ( 20.518 -0.277 5.520) 21.250 14.273 ( -9.275 22.037 -1.155) 23.937 15.564 ( 0.785 7.277 -1.148) 7.409 18.572 ( 8.948 28.795 -11.797) 32.379 20.555 ( -12.990 -44.753 6.038) 46.989 23.129 ( -5.268 -12.657 11.595) 17.956 ======================= Grid point 2390 (746/891) ======================= q-point: ( 0.52 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( 1.481 -0.015 3.045) 3.386 3.280 ( 1.029 3.312 3.411) 4.865 6.659 ( 8.655 10.599 43.282) 45.394 6.867 ( 23.337 44.498 0.423) 50.248 9.806 ( 21.652 25.413 -8.218) 34.383 10.843 ( 9.167 29.050 -30.108) 42.830 13.462 ( 14.061 7.315 3.967) 16.339 14.339 ( -0.630 12.729 -2.116) 12.919 15.619 ( -0.093 2.860 -0.313) 2.879 18.876 ( 0.772 20.184 -5.488) 20.931 20.035 ( -5.340 -29.563 -1.669) 30.088 22.929 ( -7.321 -13.094 9.927) 17.989 ======================= Grid point 2391 (747/891) ======================= q-point: ( 0.57 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( 1.591 -0.015 1.184) 1.984 3.329 ( 0.719 2.328 2.063) 3.193 6.920 ( 4.613 2.757 40.557) 40.911 7.776 ( 25.634 51.757 -4.821) 57.958 9.882 ( -3.575 -8.485 -26.591) 28.140 11.688 ( 37.886 50.875 -3.143) 63.510 13.674 ( -5.913 19.625 -0.237) 20.497 14.545 ( 19.472 -1.002 0.327) 19.500 15.617 ( -0.477 -1.420 -0.856) 1.725 18.921 ( -13.690 14.053 -0.684) 19.631 19.831 ( 8.764 -17.473 -7.125) 20.806 22.689 ( -8.998 -13.447 8.409) 18.234 ======================= Grid point 2392 (748/891) ======================= q-point: ( 0.62 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( 1.552 0.090 -0.264) 1.576 3.363 ( 0.553 1.534 1.573) 2.265 7.108 ( 4.118 0.849 27.686) 28.003 8.653 ( 20.187 50.228 -3.153) 54.224 9.608 ( -8.400 -8.817 -20.414) 23.771 12.831 ( 42.420 41.803 1.263) 59.570 13.674 ( -16.478 23.943 -3.453) 29.270 14.938 ( 29.644 -6.357 2.463) 30.418 15.587 ( 0.554 -2.903 -2.147) 3.652 18.749 ( -19.047 10.341 -0.739) 21.685 19.867 ( 12.663 -12.009 -7.130) 18.852 22.420 ( -10.088 -13.413 7.273) 18.291 ======================= Grid point 2393 (749/891) ======================= q-point: ( 0.67 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( 1.358 0.190 -1.292) 1.884 3.387 ( 0.425 0.837 1.513) 1.781 7.221 ( 2.354 -1.061 13.256) 13.505 9.143 ( -3.227 -0.925 -6.802) 7.585 9.605 ( 7.773 43.206 -4.426) 44.122 13.474 ( -17.339 23.806 -6.543) 30.170 14.000 ( 37.947 30.538 4.524) 48.918 15.373 ( 26.347 -8.179 1.053) 27.607 15.603 ( 7.350 0.076 -2.075) 7.638 18.499 ( -19.160 4.533 -1.402) 19.739 19.938 ( 9.809 -9.406 -6.545) 15.084 22.142 ( -10.126 -12.740 6.789) 17.633 ======================= Grid point 2394 (750/891) ======================= q-point: ( 0.71 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( 1.058 0.265 -1.992) 2.271 3.402 ( 0.289 0.264 1.630) 1.677 7.226 ( -2.090 -3.187 -0.084) 3.812 8.956 ( -4.583 -9.653 1.178) 10.750 10.232 ( 5.071 53.904 -0.066) 54.142 13.304 ( -23.594 21.397 -7.784) 32.788 14.897 ( 34.104 19.737 6.776) 39.982 15.512 ( 6.054 -6.834 -4.213) 10.055 15.985 ( 30.110 3.804 0.419) 30.352 18.182 ( -17.878 -5.407 -1.371) 18.728 19.969 ( 5.202 -6.109 -7.185) 10.770 21.884 ( -8.660 -11.479 7.218) 16.089 ======================= Grid point 2395 (751/891) ======================= q-point: ( 0.76 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.221 ( 0.713 0.321 -2.497) 2.617 3.411 ( 0.102 -0.149 1.774) 1.783 7.082 ( -9.056 -5.074 -6.666) 12.336 8.878 ( 3.741 -6.368 6.360) 9.746 10.752 ( -5.470 51.988 1.610) 52.300 13.087 ( -22.984 20.600 -8.636) 32.050 15.507 ( 17.974 2.317 -5.091) 18.824 15.514 ( 6.349 -2.107 8.591) 10.888 16.575 ( 28.736 11.741 -1.472) 31.077 17.802 ( -11.756 -18.390 -1.279) 21.864 19.960 ( 1.260 -1.719 -8.754) 9.009 21.680 ( -5.886 -10.051 8.619) 14.490 ======================= Grid point 2409 (752/891) ======================= q-point: ( 0.43 0.43 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( 0.000 0.637 6.165) 6.198 3.167 ( 0.000 6.581 8.725) 10.928 5.405 ( -0.000 47.414 -12.384) 49.005 6.404 ( 0.000 7.599 57.578) 58.077 8.353 ( -0.000 76.181 7.965) 76.597 11.004 ( -0.000 -0.100 -54.322) 54.322 12.665 ( 0.000 -3.215 7.144) 7.834 14.520 ( -0.000 26.295 1.798) 26.356 15.547 ( -0.000 9.410 -3.984) 10.219 18.359 ( -0.000 32.477 -17.151) 36.727 20.817 ( 0.000 -53.425 12.412) 54.848 23.220 ( 0.000 -12.977 11.964) 17.650 ======================= Grid point 2410 (753/891) ======================= q-point: ( 0.48 0.43 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( 0.466 0.252 4.827) 4.856 3.247 ( 0.736 4.392 5.267) 6.897 5.979 ( 16.189 47.963 -8.343) 51.305 6.634 ( 1.265 5.776 53.388) 53.714 9.158 ( 10.735 62.677 3.846) 63.706 10.866 ( -3.238 10.755 -47.339) 48.653 12.784 ( 15.037 -3.243 6.633) 16.752 14.686 ( -9.510 24.735 0.276) 26.502 15.626 ( -0.127 8.190 -3.044) 8.738 18.631 ( 7.442 19.450 -15.692) 26.075 20.335 ( -7.099 -38.241 10.056) 40.174 23.100 ( -2.713 -13.492 10.469) 17.292 ======================= Grid point 2411 (754/891) ======================= q-point: ( 0.52 0.43 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( 0.764 0.161 3.395) 3.483 3.306 ( 0.634 3.094 2.712) 4.163 6.728 ( 14.838 26.783 19.677) 36.396 6.919 ( 14.141 25.386 21.148) 35.940 9.762 ( 8.246 20.306 -11.784) 24.883 10.996 ( 5.124 44.562 -25.074) 51.388 13.113 ( 24.525 -2.468 5.816) 25.325 14.704 ( -14.990 23.228 -2.241) 27.735 15.662 ( -1.885 3.559 -1.727) 4.382 18.882 ( 11.890 6.747 -12.690) 18.652 19.927 ( -10.588 -19.765 6.620) 23.379 22.929 ( -5.123 -13.949 8.806) 17.273 ======================= Grid point 2412 (755/891) ======================= q-point: ( 0.57 0.43 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( 0.987 0.229 1.989) 2.232 3.346 ( 0.454 2.266 1.323) 2.662 6.992 ( 2.750 1.965 37.545) 37.697 7.786 ( 30.124 49.155 -4.559) 57.831 9.783 ( -1.997 -6.315 -22.885) 23.824 11.723 ( 20.565 59.430 -5.085) 63.093 13.558 ( 27.022 0.214 5.068) 27.494 14.642 ( -15.643 19.875 -4.033) 25.612 15.627 ( -2.650 -1.074 -1.475) 3.218 19.074 ( 9.735 -0.012 -8.310) 12.800 19.643 ( -8.963 -7.155 2.513) 11.741 22.712 ( -7.107 -14.245 7.140) 17.447 ======================= Grid point 2413 (756/891) ======================= q-point: ( 0.62 0.43 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 1.117 0.332 0.749) 1.385 3.374 ( 0.332 1.568 0.763) 1.775 7.133 ( 2.407 -0.227 26.411) 26.522 8.738 ( 26.244 48.357 -4.281) 55.186 9.579 ( -4.157 -7.684 -17.519) 19.576 12.676 ( 28.678 51.049 0.276) 58.553 13.994 ( 14.540 10.271 2.825) 18.025 14.586 ( -3.101 8.304 -3.345) 9.475 15.565 ( -1.603 -2.325 -1.997) 3.458 19.091 ( -8.049 0.504 -2.065) 8.325 19.548 ( 6.044 -5.653 -3.095) 8.835 22.460 ( -8.522 -14.199 5.669) 17.503 ======================= Grid point 2414 (757/891) ======================= q-point: ( 0.67 0.43 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( 1.116 0.413 -0.249) 1.216 3.392 ( 0.252 0.909 0.694) 1.171 7.214 ( 1.507 -1.711 14.029) 14.213 9.160 ( -4.716 -4.480 -8.950) 11.064 9.820 ( 19.427 47.156 -2.940) 51.086 13.627 ( 29.901 39.843 1.176) 49.829 14.134 ( -15.175 24.695 -2.387) 29.083 14.805 ( 27.865 -8.183 1.427) 29.076 15.532 ( 0.844 -1.274 -2.420) 2.862 18.842 ( -18.157 -3.084 -0.058) 18.417 19.654 ( 11.601 -4.517 -4.614) 13.277 22.191 ( -9.096 -13.658 4.652) 17.056 ======================= Grid point 2415 (758/891) ======================= q-point: ( 0.71 0.43 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( 0.976 0.474 -1.023) 1.491 3.404 ( 0.205 0.313 0.876) 0.953 7.224 ( -0.798 -2.724 2.658) 3.889 8.949 ( -6.110 -10.429 -1.309) 12.158 10.626 ( 13.768 56.658 -0.473) 58.309 13.923 ( -24.444 26.083 -6.382) 36.312 14.572 ( 30.997 25.873 4.337) 40.608 15.213 ( 25.419 -7.942 0.198) 26.632 15.594 ( 11.831 -0.707 -1.320) 11.925 18.446 ( -20.986 -10.921 0.248) 23.659 19.786 ( 8.906 -1.803 -4.958) 10.351 21.927 ( -8.457 -12.672 4.417) 15.863 ======================= Grid point 2416 (759/891) ======================= q-point: ( 0.76 0.43 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 0.724 0.534 -1.632) 1.864 3.411 ( 0.171 -0.169 1.140) 1.165 7.144 ( -5.152 -3.209 -4.418) 7.507 8.796 ( -0.822 -8.788 4.215) 9.782 11.329 ( 2.792 58.597 1.144) 58.674 13.701 ( -27.162 23.448 -6.860) 36.533 15.218 ( 21.000 8.975 -2.604) 22.985 15.407 ( 7.576 -1.512 6.026) 9.797 16.031 ( 38.157 0.861 -1.584) 38.199 17.935 ( -22.379 -19.524 0.546) 29.704 19.882 ( 4.772 1.234 -5.991) 7.758 21.697 ( -6.417 -11.527 5.265) 14.204 ======================= Grid point 2431 (760/891) ======================= q-point: ( 0.48 0.48 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( 0.000 0.262 4.262) 4.270 3.293 ( 0.000 3.540 3.528) 4.998 6.281 ( -0.000 47.996 -7.326) 48.552 6.813 ( 0.000 3.418 49.402) 49.520 9.595 ( -0.000 39.470 -5.080) 39.795 10.979 ( -0.000 35.171 -35.861) 50.229 12.637 ( 0.000 -3.996 7.438) 8.444 15.002 ( -0.000 22.377 1.055) 22.401 15.708 ( -0.000 9.489 -4.061) 10.322 18.617 ( -0.000 1.426 -16.865) 16.925 20.140 ( 0.000 -20.061 10.951) 22.855 23.017 ( 0.000 -14.111 9.089) 16.784 ======================= Grid point 2432 (761/891) ======================= q-point: ( 0.52 0.48 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 0.252 0.345 3.485) 3.511 3.333 ( 0.257 2.772 1.780) 3.304 6.839 ( 11.380 37.765 4.177) 39.663 7.002 ( 6.193 10.741 32.748) 35.016 9.791 ( 0.442 7.207 -18.621) 19.972 11.399 ( 1.998 62.264 -15.897) 64.292 12.751 ( 15.425 -4.136 6.947) 17.415 15.134 ( -8.797 21.292 -0.405) 23.041 15.750 ( -3.830 6.464 -3.456) 8.271 18.606 ( 10.666 -11.115 -14.443) 21.117 20.002 ( -6.879 -3.454 8.857) 11.735 22.879 ( -2.664 -14.550 7.473) 16.572 ======================= Grid point 2433 (762/891) ======================= q-point: ( 0.57 0.48 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( 0.435 0.467 2.577) 2.654 3.364 ( 0.232 2.147 0.572) 2.234 7.075 ( 0.926 1.093 33.015) 33.046 7.721 ( 28.925 44.755 -3.610) 53.410 9.705 ( -2.927 -5.886 -20.808) 21.822 12.084 ( 7.861 64.819 -4.560) 65.453 13.087 ( 25.829 -2.907 5.716) 26.614 15.135 ( -15.647 22.638 -2.699) 27.652 15.685 ( -5.934 0.320 -2.624) 6.496 18.692 ( 17.854 -13.710 -10.628) 24.893 19.871 ( -12.191 4.305 6.269) 14.368 22.691 ( -5.008 -14.748 5.714) 16.590 ======================= Grid point 2434 (763/891) ======================= q-point: ( 0.62 0.48 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 0.592 0.577 1.655) 1.850 3.386 ( 0.142 1.565 -0.010) 1.572 7.169 ( 0.927 -1.319 23.863) 23.917 8.677 ( 32.678 44.607 -4.261) 55.460 9.514 ( -3.511 -8.620 -14.978) 17.635 12.848 ( 14.376 54.943 0.155) 56.793 13.561 ( 30.113 -0.554 4.579) 30.465 15.034 ( -21.075 22.452 -4.414) 31.108 15.584 ( -3.629 -1.583 -2.051) 4.459 18.842 ( 17.338 -14.070 -7.223) 23.468 19.711 ( -14.186 6.289 4.285) 16.099 22.463 ( -6.816 -14.594 3.969) 16.589 ======================= Grid point 2435 (764/891) ======================= q-point: ( 0.67 0.48 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( 0.694 0.648 0.814) 1.250 3.400 ( 0.065 0.975 -0.121) 0.985 7.216 ( 0.572 -2.533 13.805) 14.047 9.167 ( -4.698 -4.829 -9.814) 11.904 9.810 ( 32.202 41.638 -1.733) 52.666 13.618 ( 20.945 42.372 2.154) 47.315 14.082 ( 29.519 1.411 3.594) 29.770 14.858 ( -22.360 20.250 -4.632) 30.520 15.529 ( -1.778 0.247 -2.025) 2.706 18.874 ( 3.699 -17.418 -3.641) 18.174 19.598 ( -5.768 7.023 1.752) 9.256 22.209 ( -7.901 -14.027 2.492) 16.291 ======================= Grid point 2436 (765/891) ======================= q-point: ( 0.71 0.48 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.182 ( 0.701 0.694 0.080) 0.990 3.407 ( 0.032 0.398 0.063) 0.404 7.217 ( -0.420 -2.958 4.775) 5.633 8.952 ( -6.886 -10.148 -3.312) 12.703 10.795 ( 29.150 50.793 -0.730) 58.568 14.369 ( 22.596 33.012 1.748) 40.043 14.549 ( 10.433 12.813 1.490) 16.590 14.695 ( -2.770 5.391 -2.332) 6.494 15.511 ( 0.004 0.343 -1.744) 1.778 18.592 ( -12.791 -21.083 -0.634) 24.668 19.668 ( 4.606 5.956 -0.806) 7.572 21.949 ( -8.028 -13.153 1.627) 15.495 ======================= Grid point 2437 (766/891) ======================= q-point: ( 0.76 0.48 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 0.593 0.749 -0.570) 1.112 3.409 ( 0.053 -0.115 0.393) 0.413 7.171 ( -2.497 -2.556 -1.536) 3.890 8.757 ( -4.099 -9.459 1.468) 10.413 11.720 ( 19.086 55.713 0.431) 58.893 14.395 ( -28.597 25.433 -4.492) 38.533 14.983 ( 17.838 5.884 -3.841) 19.172 15.137 ( 32.326 8.163 7.942) 34.274 15.547 ( 9.313 -3.454 -1.458) 10.039 18.089 ( -19.721 -24.849 0.481) 31.727 19.812 ( 5.506 5.682 -2.219) 8.217 21.704 ( -6.925 -12.227 1.766) 14.163 ======================= Grid point 2453 (767/891) ======================= q-point: ( 0.52 0.52 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( 0.000 0.505 3.317) 3.355 3.360 ( 0.000 2.379 0.730) 2.489 7.087 ( 0.000 -0.064 36.225) 36.226 7.150 ( -0.000 44.907 -4.631) 45.145 9.758 ( -0.000 -1.945 -21.228) 21.317 12.002 ( -0.000 70.422 -8.979) 70.992 12.591 ( 0.000 -5.383 7.976) 9.622 15.382 ( -0.000 16.341 0.103) 16.341 15.864 ( -0.000 9.047 -4.123) 9.942 18.328 ( -0.000 -16.151 -12.503) 20.425 20.089 ( 0.000 3.260 7.729) 8.388 22.778 ( 0.000 -14.923 5.886) 16.041 ======================= Grid point 2454 (768/891) ======================= q-point: ( 0.57 0.52 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.131 ( 0.104 0.639 2.924) 2.995 3.382 ( 0.077 1.951 -0.174) 1.960 7.163 ( -0.596 -0.971 28.329) 28.352 7.721 ( 18.262 42.137 -3.359) 46.047 9.637 ( -2.476 -6.671 -18.857) 20.155 12.581 ( 3.081 30.971 2.981) 31.267 12.782 ( 13.498 31.986 0.339) 34.719 15.491 ( -4.328 15.511 -0.811) 16.124 15.844 ( -10.002 6.092 -4.115) 12.413 18.261 ( 12.549 -13.524 -9.236) 20.632 20.093 ( -6.455 4.404 6.376) 10.085 22.625 ( -2.593 -14.992 4.054) 15.745 ======================= Grid point 2455 (769/891) ======================= q-point: ( 0.62 0.52 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 0.182 0.738 2.383) 2.502 3.398 ( 0.028 1.490 -0.719) 1.655 7.208 ( -0.228 -2.551 20.653) 20.811 8.531 ( 30.753 40.557 -3.361) 51.009 9.454 ( -4.204 -8.981 -13.527) 16.772 12.915 ( 21.151 0.779 7.427) 22.431 13.426 ( 7.947 54.816 -2.126) 55.430 15.542 ( -10.547 20.176 -2.241) 22.876 15.665 ( -11.455 0.596 -3.331) 11.944 18.387 ( 17.780 -11.851 -6.138) 22.232 19.996 ( -11.354 3.514 5.457) 13.078 22.428 ( -4.800 -14.661 2.083) 15.567 ======================= Grid point 2456 (770/891) ======================= q-point: ( 0.67 0.52 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 0.271 0.798 1.782) 1.971 3.408 ( -0.060 0.991 -0.876) 1.324 7.222 ( -0.219 -3.561 13.075) 13.553 9.168 ( -3.228 -2.822 -10.022) 10.900 9.578 ( 36.173 32.989 -1.042) 48.968 13.355 ( 30.426 -4.295 7.076) 31.532 14.051 ( 6.833 49.237 -1.072) 49.721 15.411 ( -19.956 14.588 -3.811) 25.011 15.600 ( -4.525 8.900 -1.398) 10.082 18.523 ( 13.820 -15.674 -3.940) 21.265 19.839 ( -12.001 3.739 4.829) 13.466 22.198 ( -6.403 -13.933 0.215) 15.335 ======================= Grid point 2457 (771/891) ======================= q-point: ( 0.71 0.52 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.182 ( 0.343 0.837 1.176) 1.483 3.411 ( -0.124 0.475 -0.732) 0.882 7.207 ( -0.449 -3.891 6.474) 7.566 8.965 ( -7.177 -9.023 -5.002) 12.568 10.628 ( 42.064 40.706 -0.940) 58.543 13.870 ( 35.460 -8.207 6.165) 36.916 14.592 ( 6.713 39.353 -0.228) 39.923 15.227 ( -18.989 17.488 -3.217) 26.014 15.593 ( -7.166 10.099 -1.032) 12.426 18.455 ( 0.693 -23.859 -2.000) 23.953 19.749 ( -4.856 6.366 3.713) 8.826 21.951 ( -7.246 -12.987 -1.198) 14.920 ======================= Grid point 2475 (772/891) ======================= q-point: ( 0.57 0.57 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( 0.000 0.740 3.019) 3.108 3.398 ( -0.000 1.668 -0.849) 1.872 7.222 ( 0.000 -3.011 23.109) 23.304 7.950 ( -0.000 39.875 -3.170) 40.001 9.541 ( -0.000 -7.772 -15.995) 17.784 12.516 ( 0.000 -7.195 8.712) 11.299 13.319 ( -0.000 66.954 -3.482) 67.045 15.633 ( -0.000 10.120 -0.784) 10.150 16.007 ( -0.000 8.095 -4.181) 9.111 18.017 ( -0.000 -8.756 -6.685) 11.016 20.198 ( 0.000 2.234 6.134) 6.528 22.511 ( 0.000 -14.897 2.111) 15.046 ======================= Grid point 2476 (773/891) ======================= q-point: ( 0.62 0.57 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( -0.004 0.795 2.878) 2.986 3.409 ( -0.008 1.311 -1.330) 1.867 7.239 ( -0.621 -4.064 17.461) 17.938 8.472 ( 18.507 36.860 -2.725) 41.335 9.396 ( -2.979 -8.640 -12.288) 15.314 12.580 ( 13.241 -7.866 8.826) 17.751 13.942 ( 1.016 60.820 -2.668) 60.887 15.698 ( -2.252 6.479 -0.793) 6.905 15.979 ( -10.436 10.674 -4.059) 15.470 18.038 ( 10.667 -5.654 -3.861) 12.676 20.173 ( -5.829 -0.325 6.035) 8.396 22.351 ( -2.463 -14.360 -0.064) 14.570 ======================= Grid point 2477 (774/891) ======================= q-point: ( 0.67 0.57 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.177 ( 0.000 0.824 2.560) 2.689 3.415 ( -0.082 0.904 -1.527) 1.776 7.225 ( -0.693 -4.996 12.351) 13.341 9.156 ( 4.801 7.454 -9.133) 12.729 9.303 ( 23.309 18.165 -1.918) 29.614 12.841 ( 23.996 -8.773 8.429) 26.904 14.495 ( 0.498 51.839 -2.285) 51.891 15.639 ( -7.885 0.374 -1.107) 7.971 15.942 ( -10.170 20.841 -2.509) 23.326 18.166 ( 11.830 -9.044 -2.021) 15.027 20.048 ( -9.257 -1.454 6.194) 11.233 22.154 ( -4.514 -13.414 -2.253) 14.332 ======================= Grid point 2478 (775/891) ======================= q-point: (-0.29 -0.43 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( 0.045 0.848 2.133) 2.296 3.415 ( -0.174 0.475 -1.444) 1.530 7.191 ( -0.570 -5.726 7.989) 9.845 8.990 ( -6.980 -6.900 -6.581) 11.817 10.237 ( 44.064 31.963 -1.244) 54.450 13.238 ( 30.890 -10.047 7.736) 33.392 14.935 ( -0.540 39.723 -1.820) 39.769 15.499 ( -8.420 1.792 -1.417) 8.724 15.990 ( -12.232 26.996 -0.587) 29.644 18.181 ( 4.733 -18.542 -1.073) 19.166 19.911 ( -7.417 0.852 6.334) 9.791 21.932 ( -5.996 -12.294 -4.104) 14.281 ======================= Grid point 2497 (776/891) ======================= q-point: ( 0.62 0.62 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 0.000 0.783 3.107) 3.205 3.416 ( -0.000 1.033 -1.787) 2.064 7.243 ( 0.000 -5.595 14.535) 15.574 8.643 ( -0.000 33.173 -2.392) 33.260 9.309 ( -0.000 -7.872 -10.910) 13.453 12.412 ( 0.000 -8.846 9.568) 13.030 14.495 ( -0.000 55.475 -3.260) 55.571 15.786 ( -0.000 6.593 0.436) 6.608 16.127 ( -0.000 6.605 -4.243) 7.850 17.924 ( -0.000 0.962 -1.130) 1.484 20.218 ( 0.000 -3.919 6.600) 7.676 22.233 ( 0.000 -13.619 -2.453) 13.838 ======================= Grid point 2498 (777/891) ======================= q-point: (-0.33 -0.38 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( -0.071 0.757 3.085) 3.177 3.419 ( -0.037 0.691 -2.028) 2.142 7.213 ( -0.590 -7.082 11.848) 13.816 9.097 ( 17.219 27.796 -3.158) 32.850 9.187 ( -1.313 -4.865 -8.334) 9.739 12.463 ( 13.123 -9.341 9.676) 18.790 14.972 ( -0.909 46.267 -4.629) 46.507 15.782 ( -7.212 3.119 1.859) 8.075 16.183 ( -0.034 11.821 -3.035) 12.205 17.988 ( 4.048 1.111 0.680) 4.253 20.147 ( -4.518 -5.936 7.334) 10.461 22.076 ( -2.310 -12.487 -4.895) 13.610 ======================= Grid point 2499 (778/891) ======================= q-point: (-0.29 -0.38 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( -0.106 0.750 2.863) 2.962 3.417 ( -0.103 0.336 -2.018) 2.049 7.156 ( -0.558 -8.735 9.294) 12.767 9.028 ( -5.957 -3.392 -8.041) 10.566 9.827 ( 35.703 25.086 -1.655) 43.667 12.708 ( 23.316 -9.627 9.267) 26.874 15.317 ( -2.562 33.954 -6.376) 34.642 15.652 ( -9.624 0.494 2.712) 10.011 16.347 ( 0.071 21.669 -0.269) 21.670 18.009 ( -0.623 -6.617 1.356) 6.783 20.025 ( -5.468 -4.448 8.152) 10.777 21.889 ( -4.271 -11.217 -7.051) 13.921 ======================= Grid point 2519 (779/891) ======================= q-point: (-0.33 -0.33 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( 0.000 0.670 3.337) 3.403 3.418 ( -0.000 0.380 -2.337) 2.368 7.170 ( 0.000 -9.797 11.238) 14.908 9.140 ( -0.000 -2.758 -9.632) 10.020 9.190 ( -0.000 24.206 -2.094) 24.297 12.291 ( 0.000 -9.191 10.450) 13.916 15.362 ( -0.000 35.360 -9.117) 36.516 15.928 ( 0.000 6.850 8.242) 10.717 16.212 ( -0.000 4.598 -4.308) 6.301 18.024 ( 0.000 8.593 2.729) 9.016 20.133 ( 0.000 -8.532 8.526) 12.062 21.963 ( -0.000 -11.251 -7.532) 13.539 ======================= Grid point 2520 (780/891) ======================= q-point: (-0.29 -0.33 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( -0.105 0.622 3.337) 3.396 3.413 ( -0.001 0.048 -2.418) 2.419 7.087 ( -0.280 -12.847 9.967) 16.262 9.077 ( -3.653 1.814 -9.050) 9.927 9.560 ( 19.909 18.710 -2.007) 27.395 12.343 ( 12.698 -8.449 10.516) 18.526 15.589 ( -1.265 20.143 -13.829) 24.466 15.881 ( -12.447 5.310 9.760) 16.685 16.386 ( 11.410 9.256 0.077) 14.692 18.089 ( -5.164 8.174 3.632) 10.328 20.055 ( -2.240 -7.434 9.763) 12.474 21.818 ( -2.205 -9.945 -9.860) 14.177 ======================= Grid point 2541 (781/891) ======================= q-point: (-0.29 -0.29 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( 0.000 0.542 3.562) 3.603 3.405 ( -0.000 -0.321 -2.613) 2.633 6.971 ( 0.000 -17.308 9.446) 19.718 9.131 ( -0.000 8.120 -9.012) 12.131 9.533 ( -0.000 11.853 -2.132) 12.043 12.193 ( 0.000 -6.704 11.173) 13.030 15.690 ( -0.000 7.671 -14.084) 16.038 16.157 ( 0.000 6.706 14.964) 16.398 16.253 ( -0.000 2.208 -4.367) 4.893 18.268 ( 0.000 13.481 4.756) 14.295 20.030 ( 0.000 -6.241 11.265) 12.878 21.715 ( -0.000 -8.695 -12.265) 15.034 ======================= Grid point 2784 (782/891) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 0.000 -0.000 28.175) 28.175 1.409 ( 0.000 -0.000 28.175) 28.175 3.901 ( -0.000 0.000 -23.773) 23.773 3.901 ( -0.000 0.000 -23.773) 23.773 5.281 ( 0.000 -0.000 97.743) 97.743 12.270 ( -0.000 0.000 -59.657) 59.657 12.791 ( 0.000 -0.000 7.447) 7.447 12.791 ( 0.000 -0.000 7.447) 7.447 15.078 ( -0.000 0.000 -4.023) 4.023 15.078 ( -0.000 0.000 -4.023) 4.023 23.440 ( 0.000 -0.000 21.317) 21.317 25.480 ( -0.000 0.000 -10.982) 10.982 ======================= Grid point 2785 (783/891) ======================= q-point: ( 0.33 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 22.145 12.786 25.943) 36.427 2.107 ( 39.375 22.733 24.726) 51.755 3.909 ( 7.333 4.234 -24.547) 25.967 4.084 ( 24.796 14.316 -26.125) 38.759 5.567 ( 1.691 0.976 95.168) 95.188 12.001 ( -7.457 -4.305 -57.051) 57.698 12.857 ( 1.743 1.006 6.567) 6.868 12.937 ( 12.510 7.223 3.497) 14.862 15.057 ( 1.014 0.586 -3.470) 3.662 15.649 ( 43.904 25.348 -13.587) 52.485 23.432 ( -6.642 -3.835 21.092) 22.443 24.832 ( -48.449 -27.972 2.156) 55.986 ======================= Grid point 2786 (784/891) ======================= q-point: ( 0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 22.913 13.229 23.320) 35.269 2.809 ( 16.246 9.380 17.068) 25.362 4.122 ( 19.006 10.973 -24.481) 32.878 4.922 ( 50.144 28.950 -13.268) 59.402 5.957 ( 14.406 8.317 82.761) 84.416 11.659 ( -8.492 -4.903 -56.689) 57.531 12.903 ( 0.922 0.533 4.795) 4.912 13.325 ( 20.706 11.954 2.950) 24.090 15.104 ( 3.836 2.215 -2.240) 4.963 16.659 ( 46.572 26.888 -19.180) 57.095 23.122 ( -34.698 -20.033 20.156) 44.850 23.792 ( -33.317 -19.236 11.472) 40.145 ======================= Grid point 2787 (785/891) ======================= q-point: ( 0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 12.765 7.370 17.383) 22.791 3.048 ( 4.662 2.692 8.496) 10.058 4.646 ( 33.001 19.053 -19.177) 42.660 5.771 ( 18.677 10.783 45.212) 50.093 6.955 ( 60.885 35.152 26.021) 74.965 11.308 ( -8.747 -5.050 -55.988) 56.892 12.924 ( 0.097 0.056 2.498) 2.501 13.844 ( 24.252 14.002 3.919) 28.277 15.211 ( 6.044 3.489 -0.660) 7.010 17.525 ( 34.427 19.876 -14.715) 42.389 22.104 ( -50.050 -28.896 11.688) 58.962 23.425 ( -11.679 -6.743 13.499) 19.081 ======================= Grid point 2788 (786/891) ======================= q-point: ( 0.48 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( 6.123 3.535 10.690) 12.817 3.131 ( 1.926 1.112 3.752) 4.361 5.429 ( 39.708 22.925 -12.208) 47.448 6.202 ( 9.285 5.361 59.459) 60.418 8.526 ( 71.476 41.267 7.908) 82.911 10.958 ( -8.523 -4.921 -52.778) 53.687 12.921 ( -0.728 -0.420 0.089) 0.845 14.400 ( 23.890 13.793 4.550) 27.958 15.363 ( 7.384 4.263 0.891) 8.573 18.084 ( 17.877 10.321 -7.241) 21.876 21.148 ( -35.463 -20.475 0.828) 40.958 23.211 ( -11.343 -6.549 12.300) 17.968 ======================= Grid point 2789 (787/891) ======================= q-point: ( 0.52 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( 1.300 0.751 0.733) 1.671 3.200 ( 3.542 2.045 6.763) 7.903 6.301 ( 40.185 23.201 -7.630) 47.024 6.556 ( 8.213 4.742 54.338) 55.159 10.002 ( 46.426 26.804 -4.078) 53.763 10.738 ( 13.225 7.635 -37.272) 40.279 12.891 ( -1.764 -1.019 -2.201) 2.999 14.913 ( 20.500 11.836 4.444) 24.085 15.539 ( 7.895 4.558 2.190) 9.376 18.267 ( 0.199 0.115 -2.655) 2.665 20.579 ( -14.524 -8.386 -7.273) 18.280 22.978 ( -12.526 -7.232 10.743) 18.017 ======================= Grid point 2790 (788/891) ======================= q-point: ( 0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( 1.156 0.668 -1.240) 1.822 3.280 ( 2.371 1.369 4.731) 5.466 6.871 ( 7.503 4.332 43.422) 44.278 7.157 ( 37.723 21.779 -4.750) 43.817 10.047 ( -11.701 -6.756 -32.467) 35.166 11.842 ( 63.839 36.858 0.289) 73.716 12.827 ( -3.212 -1.854 -4.330) 5.701 15.326 ( 15.361 8.869 3.298) 18.042 15.722 ( 7.727 4.461 3.180) 9.472 18.154 ( -7.114 -4.107 -4.114) 9.187 20.403 ( -1.351 -0.780 -8.659) 8.798 22.713 ( -13.787 -7.960 9.495) 18.537 ======================= Grid point 2791 (789/891) ======================= q-point: ( 0.62 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( 1.036 0.598 -2.390) 2.673 3.336 ( 1.609 0.929 3.651) 4.097 7.125 ( 5.868 3.388 28.799) 29.585 7.945 ( 33.589 19.393 -2.639) 38.875 9.656 ( -15.087 -8.711 -22.827) 28.716 12.720 ( -5.032 -2.905 -6.350) 8.607 13.220 ( 57.839 33.393 3.736) 66.891 15.620 ( 10.825 6.250 0.551) 12.511 15.898 ( 6.993 4.038 3.879) 8.958 18.009 ( -3.520 -2.032 -6.700) 7.836 20.384 ( 0.363 0.210 -7.518) 7.530 22.422 ( -14.405 -8.317 8.916) 18.872 ======================= Grid point 2792 (790/891) ======================= q-point: ( 0.67 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.230 ( 0.856 0.494 -2.970) 3.130 3.374 ( 0.961 0.555 3.059) 3.254 7.275 ( 1.822 1.052 11.262) 11.457 8.630 ( 28.031 16.184 -0.802) 32.377 9.286 ( -13.054 -7.536 -8.582) 17.345 12.567 ( -6.799 -3.925 -8.291) 11.418 14.405 ( 46.224 26.687 6.620) 53.784 15.831 ( 9.060 5.231 -4.258) 11.295 16.052 ( 5.741 3.315 4.306) 7.905 17.973 ( 1.996 1.153 -7.031) 7.399 20.340 ( -2.906 -1.678 -7.461) 8.181 22.132 ( -13.494 -7.791 9.284) 18.138 ======================= Grid point 2793 (791/891) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.238 ( 0.657 0.380 -3.273) 3.360 3.397 ( 0.342 0.198 2.743) 2.771 7.238 ( -6.398 -3.694 -4.723) 8.768 9.077 ( -4.339 -2.505 5.035) 7.103 9.177 ( 20.608 11.898 0.905) 23.814 12.378 ( -7.553 -4.361 -10.057) 13.312 15.272 ( 27.957 16.141 11.622) 34.310 16.014 ( 9.318 5.380 -11.500) 15.749 16.174 ( 4.011 2.316 4.468) 6.435 18.059 ( 7.479 4.318 -5.605) 10.296 20.208 ( -6.589 -3.804 -9.045) 11.819 21.887 ( -10.787 -6.228 10.558) 16.329 ======================= Grid point 2806 (792/891) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 0.000 26.257 26.147) 37.056 2.159 ( 0.000 43.922 25.208) 50.642 3.843 ( -0.000 8.476 -25.467) 26.840 4.007 ( -0.000 28.669 -26.316) 38.916 5.831 ( 0.000 1.063 93.824) 93.830 11.841 ( -0.000 -7.249 -60.279) 60.713 12.778 ( 0.000 -2.939 7.385) 7.949 13.038 ( -0.000 17.650 3.974) 18.092 15.126 ( -0.000 5.100 -4.121) 6.557 15.558 ( -0.000 48.451 -12.045) 49.926 23.493 ( 0.000 -7.454 20.928) 22.216 24.821 ( 0.000 -55.353 0.300) 55.353 ======================= Grid point 2807 (793/891) ======================= q-point: ( 0.38 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 12.942 25.764 24.879) 38.082 2.731 ( 13.148 19.447 19.990) 30.832 3.954 ( 9.193 16.019 -25.998) 31.891 4.562 ( 29.065 51.199 -22.005) 62.851 6.133 ( 3.601 4.486 88.990) 89.176 11.551 ( -5.070 -7.129 -59.746) 60.383 12.864 ( 8.327 -1.469 6.146) 10.453 13.248 ( 3.484 19.531 2.754) 20.030 15.140 ( -1.845 7.776 -3.068) 8.561 16.312 ( 29.644 48.450 -16.850) 59.246 23.349 ( -13.103 -22.523 20.929) 33.421 24.025 ( -24.166 -46.551 6.904) 52.902 ======================= Grid point 2808 (794/891) ======================= q-point: ( 0.43 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 10.050 14.619 19.942) 26.691 3.019 ( 5.435 3.981 10.405) 12.396 4.362 ( 22.479 28.515 -21.745) 42.323 5.610 ( 33.170 39.372 7.327) 52.001 6.668 ( 25.529 24.729 63.020) 72.351 11.219 ( -6.625 -6.376 -58.522) 59.240 12.984 ( 1.343 5.011 3.662) 6.350 13.587 ( 17.298 13.069 2.846) 21.866 15.214 ( 1.441 8.967 -1.165) 9.156 17.210 ( 30.267 38.118 -15.233) 51.001 22.525 ( -39.190 -49.079 14.117) 64.373 23.548 ( -9.158 -12.154 11.501) 19.076 ======================= Grid point 2809 (795/891) ======================= q-point: ( 0.48 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( 4.787 5.137 11.580) 13.543 3.123 ( 2.363 1.891 5.323) 6.123 5.093 ( 31.110 36.522 -13.577) 49.860 6.261 ( 11.325 11.281 48.744) 51.298 7.899 ( 57.627 48.336 19.531) 77.709 10.884 ( -7.017 -5.482 -55.732) 56.439 13.028 ( -4.797 9.346 0.708) 10.529 14.064 ( 26.065 6.548 3.597) 27.115 15.345 ( 3.509 9.177 0.642) 9.846 17.919 ( 20.070 26.563 -8.779) 34.431 21.469 ( -35.305 -39.592 4.688) 53.253 23.338 ( -8.882 -9.339 11.196) 17.072 ======================= Grid point 2810 (796/891) ======================= q-point: ( 0.52 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( 2.132 -0.207 3.131) 3.793 3.203 ( 2.091 3.563 5.629) 6.982 5.971 ( 32.814 38.455 -8.060) 51.191 6.627 ( 7.197 5.505 51.946) 52.730 9.412 ( 59.583 42.677 8.870) 73.825 10.593 ( -2.979 -0.730 -49.366) 49.461 13.017 ( -7.672 10.622 -1.901) 13.240 14.575 ( 27.811 2.576 3.959) 28.209 15.500 ( 4.599 7.417 1.870) 8.925 18.311 ( 3.505 15.201 -1.997) 15.727 20.688 ( -19.140 -24.516 -4.889) 31.484 23.117 ( -10.254 -9.534 9.713) 17.041 ======================= Grid point 2811 (797/891) ======================= q-point: ( 0.57 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( 1.504 -0.216 -0.111) 1.524 3.278 ( 1.738 2.359 4.294) 5.198 6.859 ( 30.469 37.214 -4.581) 48.314 6.918 ( 6.777 4.258 43.184) 43.919 10.032 ( -3.945 -5.529 -29.400) 30.174 11.179 ( 58.128 41.228 -4.163) 71.386 12.967 ( -9.505 10.526 -4.086) 14.759 15.049 ( 24.975 1.233 3.830) 25.297 15.642 ( 5.593 2.924 2.277) 6.709 18.330 ( -11.589 7.107 -0.055) 13.595 20.343 ( -1.124 -10.656 -9.237) 14.147 22.864 ( -11.676 -10.068 8.297) 17.508 ======================= Grid point 2812 (798/891) ======================= q-point: ( 0.62 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( 1.303 0.050 -1.737) 2.172 3.333 ( 1.385 1.504 3.336) 3.912 7.143 ( 5.014 2.049 29.684) 30.174 7.700 ( 27.358 36.185 -2.354) 45.424 9.723 ( -11.362 -9.230 -24.381) 28.438 12.566 ( 56.406 34.858 1.872) 66.335 12.889 ( -8.183 12.390 -5.209) 15.735 15.446 ( 18.402 3.106 2.709) 18.858 15.758 ( 8.224 -3.314 2.192) 9.133 18.163 ( -13.315 6.552 -2.470) 15.044 20.294 ( 4.777 -5.406 -8.296) 10.995 22.581 ( -12.697 -10.407 7.373) 17.997 ======================= Grid point 2813 (799/891) ======================= q-point: ( 0.67 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( 1.100 0.202 -2.612) 2.841 3.373 ( 1.001 0.882 2.813) 3.113 7.279 ( 2.333 0.007 13.302) 13.505 8.452 ( 22.311 33.731 -0.575) 40.446 9.384 ( -11.584 -9.050 -11.236) 18.502 12.726 ( -12.478 7.549 -7.877) 16.575 13.875 ( 51.556 31.261 4.869) 60.489 15.708 ( 8.537 2.481 -1.624) 9.037 15.910 ( 14.104 -3.228 3.803) 14.960 18.038 ( -7.919 6.896 -4.136) 11.286 20.289 ( 2.492 -5.528 -7.291) 9.483 22.288 ( -12.593 -10.058 7.270) 17.680 ======================= Grid point 2814 (800/891) ======================= q-point: ( 0.71 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( 0.852 0.243 -3.055) 3.181 3.399 ( 0.555 0.399 2.539) 2.629 7.275 ( -3.326 -3.115 -2.549) 5.221 9.071 ( 12.193 20.782 2.583) 24.233 9.150 ( -3.033 3.415 0.755) 4.630 12.544 ( -14.129 6.657 -9.409) 18.234 14.918 ( 38.881 21.732 7.886) 45.235 15.814 ( 8.059 -4.580 -5.279) 10.668 16.158 ( 10.635 7.154 2.835) 13.127 18.008 ( -0.432 3.930 -4.126) 5.715 20.212 ( -2.294 -6.627 -7.926) 10.583 22.021 ( -10.695 -8.736 8.178) 16.049 ======================= Grid point 2828 (801/891) ======================= q-point: ( 0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 0.000 26.409 24.453) 35.992 2.860 ( 0.000 14.093 16.673) 21.831 3.979 ( -0.000 22.600 -26.517) 34.841 4.852 ( -0.000 68.736 -17.858) 71.018 6.400 ( 0.000 6.616 85.930) 86.185 11.354 ( -0.000 -7.099 -61.357) 61.766 12.761 ( 0.000 -2.998 7.282) 7.875 13.475 ( -0.000 24.986 2.080) 25.073 15.224 ( -0.000 7.361 -4.250) 8.500 16.548 ( -0.000 57.951 -16.446) 60.240 23.220 ( 0.000 -47.044 20.130) 51.170 23.787 ( 0.000 -35.245 7.514) 36.037 ======================= Grid point 2829 (802/891) ======================= q-point: ( 0.43 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 4.638 15.985 19.580) 25.699 3.016 ( 2.979 4.222 10.475) 11.681 4.297 ( 14.179 34.900 -22.141) 43.695 5.653 ( 17.766 59.640 -1.538) 62.249 6.805 ( 9.541 21.786 71.099) 74.971 11.081 ( -4.028 -6.048 -60.153) 60.590 12.866 ( 11.945 -2.011 6.446) 13.721 13.692 ( -3.194 24.682 0.992) 24.907 15.288 ( 0.267 9.037 -3.065) 9.547 17.198 ( 16.562 50.021 -15.205) 54.842 22.513 ( -20.009 -64.725 14.781) 69.341 23.560 ( -3.947 -13.591 10.630) 17.700 ======================= Grid point 2830 (803/891) ======================= q-point: ( 0.48 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 1.933 3.117 9.008) 9.726 3.126 ( 2.811 4.610 8.147) 9.774 4.979 ( 25.535 44.064 -13.492) 52.685 6.346 ( 10.425 22.109 35.091) 42.765 7.685 ( 34.756 52.281 32.257) 70.582 10.781 ( -5.562 -4.550 -57.009) 57.461 13.096 ( 10.743 3.395 4.461) 12.118 13.884 ( 3.271 17.334 0.167) 17.641 15.395 ( 2.031 9.612 -0.839) 9.860 17.886 ( 17.512 37.723 -10.719) 42.949 21.553 ( -26.372 -54.672 8.022) 61.228 23.391 ( -5.934 -11.326 10.218) 16.368 ======================= Grid point 2831 (804/891) ======================= q-point: ( 0.52 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( 1.472 -0.231 3.789) 4.071 3.223 ( 1.583 3.775 5.192) 6.611 5.859 ( 28.967 47.350 -7.617) 56.027 6.719 ( 5.601 7.855 46.014) 47.015 8.990 ( 47.561 51.975 15.236) 72.080 10.508 ( -4.291 -0.117 -51.652) 51.830 13.260 ( -2.222 13.101 0.658) 13.304 14.177 ( 18.664 4.983 1.519) 19.377 15.520 ( 2.498 7.420 0.744) 7.864 18.406 ( 8.751 26.335 -4.256) 28.075 20.704 ( -20.051 -39.036 -0.417) 43.887 23.193 ( -7.873 -11.418 8.736) 16.391 ======================= Grid point 2832 (805/891) ======================= q-point: ( 0.57 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 1.338 -0.402 1.139) 1.803 3.288 ( 1.228 2.609 3.269) 4.359 6.785 ( 27.801 48.217 -4.309) 55.824 6.979 ( 4.514 3.619 40.307) 40.721 9.906 ( 8.182 1.414 -16.845) 18.780 10.731 ( 39.331 43.043 -15.288) 60.277 13.290 ( -11.318 18.287 -2.839) 21.692 14.590 ( 27.355 -2.083 3.084) 27.607 15.612 ( 2.150 2.553 1.124) 3.522 18.622 ( -7.667 16.406 1.392) 18.162 20.192 ( -3.310 -22.147 -7.658) 23.666 22.957 ( -9.545 -11.848 7.188) 16.827 ======================= Grid point 2833 (806/891) ======================= q-point: ( 0.62 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( 1.288 -0.141 -0.669) 1.459 3.336 ( 1.089 1.765 2.447) 3.207 7.168 ( 3.593 1.276 28.283) 28.539 7.680 ( 24.326 47.792 -2.000) 53.664 9.727 ( -7.687 -8.773 -23.098) 25.876 12.008 ( 53.859 43.518 0.936) 69.250 13.236 ( -14.992 19.413 -4.927) 25.018 15.045 ( 28.514 -3.435 3.727) 28.961 15.647 ( 2.185 -2.815 0.374) 3.583 18.524 ( -17.803 11.708 1.589) 21.367 20.076 ( 8.361 -11.501 -8.734) 16.687 22.688 ( -10.830 -12.173 5.965) 17.351 ======================= Grid point 2834 (807/891) ======================= q-point: ( 0.67 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( 1.185 0.106 -1.821) 2.175 3.373 ( 0.919 1.074 2.129) 2.556 7.277 ( 1.856 -0.713 13.514) 13.660 8.499 ( 19.361 45.883 -0.081) 49.800 9.441 ( -9.513 -8.531 -12.304) 17.739 13.036 ( -4.194 19.597 -6.290) 21.004 13.381 ( 38.601 33.799 2.775) 51.382 15.490 ( 26.046 -1.130 3.523) 26.308 15.646 ( 3.647 -6.517 -0.888) 7.521 18.334 ( -16.952 10.463 -0.272) 19.923 20.107 ( 8.229 -9.104 -7.274) 14.266 22.400 ( -11.284 -11.982 5.374) 17.314 ======================= Grid point 2835 (808/891) ======================= q-point: ( 0.71 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 0.979 0.241 -2.484) 2.680 3.400 ( 0.673 0.510 2.028) 2.197 7.282 ( -1.672 -2.754 -0.833) 3.327 9.102 ( 2.250 5.948 3.110) 7.079 9.304 ( 3.393 30.670 -1.987) 30.921 12.913 ( -19.098 16.166 -8.385) 26.389 14.464 ( 44.179 26.477 4.945) 51.742 15.645 ( 4.736 -6.832 -2.277) 8.619 15.920 ( 23.511 2.549 2.611) 23.793 18.162 ( -12.886 5.687 -1.166) 14.133 20.104 ( 3.736 -8.781 -6.993) 11.831 22.121 ( -10.245 -10.964 5.709) 16.055 ======================= Grid point 2850 (809/891) ======================= q-point: ( 0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( 0.000 11.373 15.631) 19.330 3.051 ( 0.000 1.997 8.261) 8.498 4.482 ( -0.000 42.269 -18.615) 46.186 6.091 ( -0.000 50.960 10.468) 52.024 7.176 ( 0.000 37.202 58.004) 68.910 10.894 ( -0.000 -4.514 -60.005) 60.175 12.744 ( 0.000 -2.990 7.224) 7.818 13.998 ( -0.000 27.541 0.915) 27.556 15.357 ( -0.000 8.815 -4.373) 9.840 17.512 ( -0.000 49.226 -14.523) 51.324 22.059 ( 0.000 -68.718 13.513) 70.034 23.495 ( 0.000 -12.438 10.326) 16.166 ======================= Grid point 2851 (810/891) ======================= q-point: ( 0.48 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( 0.534 0.478 6.075) 6.117 3.169 ( 1.397 5.893 8.859) 10.731 5.021 ( 16.740 47.494 -12.002) 51.768 6.554 ( 3.480 23.117 33.126) 40.545 7.907 ( 15.317 60.268 32.075) 69.969 10.665 ( -3.487 -1.953 -56.955) 57.095 12.859 ( 13.809 -2.571 6.696) 15.561 14.190 ( -8.047 26.186 -0.417) 27.398 15.448 ( 1.667 9.150 -3.156) 9.822 18.001 ( 9.863 39.496 -12.435) 42.565 21.344 ( -12.631 -60.143 10.235) 62.301 23.378 ( -2.944 -12.352 9.284) 15.730 ======================= Grid point 2852 (811/891) ======================= q-point: ( 0.52 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 0.739 -0.252 3.939) 4.016 3.251 ( 0.999 3.591 4.300) 5.690 5.839 ( 26.696 49.235 -6.713) 56.408 6.857 ( 2.631 9.354 40.200) 41.358 8.943 ( 27.637 58.157 18.557) 67.010 10.451 ( -3.692 5.118 -51.202) 51.589 13.156 ( 19.744 -0.024 5.526) 20.502 14.259 ( -9.699 21.649 -2.182) 23.823 15.555 ( 1.687 7.107 -1.096) 7.386 18.486 ( 11.408 28.180 -8.598) 31.594 20.602 ( -15.974 -45.108 5.174) 48.132 23.211 ( -5.425 -12.713 7.731) 15.837 ======================= Grid point 2853 (812/891) ======================= q-point: ( 0.57 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( 0.842 -0.288 2.035) 2.221 3.304 ( 0.828 2.575 2.179) 3.473 6.779 ( 28.928 48.723 -1.885) 56.695 7.070 ( 2.477 5.708 33.345) 33.920 9.747 ( 11.486 9.316 -5.670) 15.839 10.614 ( 20.524 46.579 -22.988) 55.851 13.491 ( 11.703 8.610 2.751) 14.788 14.323 ( 0.950 11.264 -1.676) 11.428 15.617 ( 0.282 2.347 -0.081) 2.365 18.841 ( 4.194 19.256 -3.054) 19.943 20.023 ( -9.367 -29.130 -1.166) 30.621 22.997 ( -7.454 -13.156 6.086) 16.300 ======================= Grid point 2854 (813/891) ======================= q-point: ( 0.62 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 0.949 -0.043 0.418) 1.037 3.343 ( 0.796 1.853 1.397) 2.453 7.205 ( 2.217 0.553 25.522) 25.624 7.744 ( 26.298 51.863 -2.652) 58.210 9.688 ( -4.325 -7.743 -18.416) 20.441 11.668 ( 40.590 52.619 -1.302) 66.468 13.663 ( -8.635 20.932 -2.276) 22.757 14.555 ( 21.683 -2.433 1.878) 21.899 15.612 ( -0.557 -2.185 -0.234) 2.267 18.929 ( -12.612 13.256 2.393) 18.453 19.771 ( 7.049 -16.669 -6.812) 19.338 22.744 ( -9.011 -13.485 4.627) 16.866 ======================= Grid point 2855 (814/891) ======================= q-point: ( 0.67 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( 0.994 0.219 -0.800) 1.295 3.375 ( 0.753 1.190 1.223) 1.865 7.281 ( 0.915 -1.221 12.270) 12.364 8.637 ( 20.888 49.648 -0.385) 53.864 9.472 ( -6.574 -6.144 -10.764) 14.030 12.840 ( 42.517 41.788 0.962) 59.623 13.640 ( -16.798 24.562 -4.477) 30.092 14.964 ( 30.104 -6.965 3.525) 31.100 15.574 ( 0.251 -3.561 -0.852) 3.670 18.757 ( -19.803 9.833 2.449) 22.245 19.808 ( 12.680 -11.208 -6.764) 18.225 22.466 ( -9.866 -13.412 3.611) 17.037 ======================= Grid point 2856 (815/891) ======================= q-point: ( 0.71 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 0.915 0.389 -1.618) 1.899 3.399 ( 0.655 0.587 1.297) 1.567 7.279 ( -1.172 -2.482 0.001) 2.745 9.118 ( -1.904 -2.984 1.497) 3.843 9.580 ( 9.717 46.779 -1.553) 47.803 13.416 ( -18.297 23.918 -7.173) 30.957 14.033 ( 38.982 30.889 3.140) 49.836 15.386 ( 23.950 -9.426 2.100) 25.824 15.594 ( 9.036 0.280 -0.118) 9.041 18.500 ( -19.876 4.500 1.479) 20.433 19.884 ( 9.549 -9.017 -5.939) 14.414 22.185 ( -9.543 -12.679 3.344) 16.218 ======================= Grid point 2872 (816/891) ======================= q-point: ( 0.48 0.48 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( 0.000 -0.031 4.998) 4.998 3.230 ( 0.000 4.371 5.870) 7.318 5.313 ( -0.000 49.429 -9.056) 50.252 6.811 ( 0.000 13.844 37.406) 39.886 8.485 ( 0.000 66.754 23.842) 70.884 10.540 ( -0.000 3.281 -54.603) 54.701 12.726 ( 0.000 -3.186 7.302) 7.967 14.528 ( -0.000 26.488 0.137) 26.489 15.511 ( -0.000 9.517 -4.458) 10.510 18.231 ( -0.000 31.493 -13.341) 34.202 20.915 ( 0.000 -53.716 10.870) 54.805 23.304 ( 0.000 -13.043 8.082) 15.344 ======================= Grid point 2873 (817/891) ======================= q-point: ( 0.52 0.48 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 0.220 -0.176 3.896) 3.906 3.282 ( 0.413 3.164 2.842) 4.273 5.919 ( 16.970 49.298 -5.741) 52.452 7.020 ( 0.657 6.864 36.378) 37.026 9.239 ( 9.844 52.771 16.265) 56.092 10.465 ( -1.631 19.470 -46.960) 50.862 12.842 ( 14.578 -3.208 6.946) 16.464 14.682 ( -10.492 24.875 -1.267) 27.027 15.599 ( 0.803 8.171 -3.288) 8.845 18.511 ( 8.692 18.041 -12.799) 23.767 20.420 ( -8.486 -37.846 9.886) 40.026 23.172 ( -2.801 -13.617 6.565) 15.374 ======================= Grid point 2874 (818/891) ======================= q-point: ( 0.57 0.48 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( 0.332 -0.065 2.650) 2.672 3.322 ( 0.484 2.460 1.054) 2.720 6.757 ( 26.938 46.843 -1.629) 54.061 7.179 ( 1.462 4.890 27.943) 28.406 9.685 ( 3.939 6.433 -5.654) 9.427 10.807 ( 10.730 59.590 -19.019) 63.465 13.164 ( 24.013 -2.421 6.096) 24.892 14.681 ( -15.817 23.230 -3.264) 28.293 15.648 ( -1.182 3.229 -1.610) 3.797 18.784 ( 14.029 5.324 -10.569) 18.354 19.988 ( -12.921 -18.823 7.686) 24.090 22.987 ( -5.236 -14.093 4.896) 15.811 ======================= Grid point 2875 (819/891) ======================= q-point: ( 0.62 0.48 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 0.462 0.193 1.390) 1.477 3.353 ( 0.522 1.885 0.345) 1.986 7.245 ( 1.483 0.463 21.071) 21.128 7.753 ( 30.030 49.052 -3.132) 57.599 9.629 ( -2.652 -6.917 -12.379) 14.427 11.686 ( 22.897 62.119 -3.385) 66.291 13.600 ( 26.116 0.640 4.797) 26.560 14.608 ( -15.561 19.394 -3.993) 25.184 15.617 ( -2.444 -1.576 -0.856) 3.032 19.010 ( 13.119 -1.854 -6.815) 14.899 19.673 ( -12.643 -5.282 4.467) 14.412 22.756 ( -7.159 -14.405 3.271) 16.414 ======================= Grid point 2876 (820/891) ======================= q-point: ( 0.67 0.48 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( 0.587 0.453 0.289) 0.796 3.378 ( 0.537 1.287 0.252) 1.417 7.291 ( 0.032 -1.619 9.943) 10.074 8.712 ( 26.485 47.057 -1.769) 54.027 9.474 ( -2.867 -5.159 -6.606) 8.858 12.678 ( 29.474 51.536 0.081) 59.369 14.011 ( 10.486 12.696 1.025) 16.499 14.566 ( 0.468 5.851 -1.252) 6.002 15.554 ( -1.690 -2.785 -0.674) 3.327 19.080 ( -4.109 -1.973 -0.625) 4.601 19.530 ( 1.641 -2.868 -1.088) 3.479 22.492 ( -8.407 -14.370 1.908) 16.757 ======================= Grid point 2877 (821/891) ======================= q-point: ( 0.71 0.48 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( 0.632 0.629 -0.561) 1.054 3.397 ( 0.518 0.682 0.445) 0.965 7.276 ( -1.212 -2.315 0.095) 2.614 9.122 ( -3.023 -5.248 0.398) 6.069 9.805 ( 20.050 48.614 -0.577) 52.590 13.630 ( 28.341 39.840 -0.569) 48.895 14.110 ( -14.842 25.640 -3.107) 29.789 14.825 ( 28.616 -8.964 3.194) 30.157 15.521 ( 0.878 -1.552 -0.209) 1.795 18.851 ( -17.666 -4.114 1.963) 18.245 19.620 ( 10.415 -3.102 -3.367) 11.377 22.215 ( -8.685 -13.815 1.099) 16.355 ======================= Grid point 2894 (822/891) ======================= q-point: ( 0.52 0.52 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( 0.000 -0.038 3.587) 3.587 3.313 ( 0.000 2.711 1.208) 2.968 6.231 ( -0.000 48.630 -4.409) 48.829 7.161 ( 0.000 3.382 31.289) 31.471 9.586 ( -0.000 23.030 3.753) 23.333 10.693 ( -0.000 51.798 -30.883) 60.306 12.701 ( 0.000 -3.861 7.568) 8.496 15.005 ( -0.000 22.512 -0.369) 22.515 15.671 ( -0.000 9.597 -4.494) 10.597 18.485 ( -0.000 1.229 -14.154) 14.207 20.235 ( 0.000 -20.686 11.550) 23.692 23.078 ( 0.000 -14.296 5.158) 15.198 ======================= Grid point 2895 (823/891) ======================= q-point: ( 0.57 0.52 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( 0.035 0.174 2.990) 2.996 3.341 ( 0.204 2.304 -0.042) 2.314 6.826 ( 16.366 46.109 -2.245) 48.979 7.264 ( 0.806 1.833 22.977) 23.064 9.672 ( -0.379 -0.254 -8.361) 8.373 11.281 ( 3.885 70.879 -11.971) 71.988 12.811 ( 14.902 -4.111 7.244) 17.071 15.125 ( -9.750 21.498 -1.666) 23.664 15.720 ( -3.094 6.288 -3.517) 7.841 18.493 ( 11.294 -9.906 -11.980) 19.214 20.083 ( -7.461 -4.973 10.201) 13.581 22.926 ( -2.725 -14.790 3.536) 15.449 ======================= Grid point 2896 (824/891) ======================= q-point: ( 0.62 0.52 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( 0.063 0.440 2.186) 2.231 3.364 ( 0.295 1.872 -0.638) 2.000 7.284 ( 0.638 1.004 15.382) 15.428 7.696 ( 28.168 43.926 -2.518) 52.242 9.579 ( -2.709 -6.925 -7.890) 10.842 12.049 ( 9.137 67.674 -3.790) 68.393 13.138 ( 25.378 -3.379 6.174) 26.336 15.109 ( -16.589 22.846 -3.537) 28.454 15.666 ( -5.240 -0.044 -1.862) 5.561 18.612 ( 18.527 -12.327 -8.350) 23.768 19.932 ( -12.929 3.123 7.895) 15.468 22.723 ( -5.063 -15.053 1.812) 15.985 ======================= Grid point 2897 (825/891) ======================= q-point: ( 0.67 0.52 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( 0.143 0.689 1.331) 1.506 3.383 ( 0.329 1.359 -0.696) 1.562 7.303 ( -0.661 -1.826 7.063) 7.325 8.647 ( 32.224 43.682 -2.584) 54.343 9.437 ( -2.059 -7.615 -2.633) 8.316 12.846 ( 14.696 56.824 -0.479) 58.695 13.601 ( 30.066 -1.646 4.795) 30.491 14.997 ( -21.337 22.538 -4.238) 31.324 15.573 ( -3.477 -1.783 -0.567) 3.948 18.789 ( 18.016 -13.160 -5.125) 22.891 19.755 ( -15.170 5.824 5.847) 17.269 22.481 ( -6.766 -14.964 0.172) 16.424 ======================= Grid point 2916 (826/891) ======================= q-point: ( 0.57 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( 0.000 0.405 3.019) 3.046 3.359 ( -0.000 2.089 -0.949) 2.295 7.121 ( -0.000 44.967 -2.247) 45.023 7.317 ( 0.000 -0.661 16.782) 16.795 9.630 ( -0.000 -4.772 -7.893) 9.224 11.933 ( -0.000 74.057 -7.190) 74.406 12.659 ( 0.000 -5.135 8.023) 9.526 15.379 ( -0.000 16.297 -0.806) 16.317 15.828 ( -0.000 9.144 -4.493) 10.188 18.234 ( -0.000 -14.331 -9.547) 17.220 20.161 ( 0.000 1.541 9.294) 9.421 22.811 ( 0.000 -15.273 1.955) 15.398 ======================= Grid point 2917 (827/891) ======================= q-point: ( 0.62 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( -0.087 0.630 2.734) 2.807 3.375 ( 0.126 1.782 -1.467) 2.312 7.329 ( -1.053 -0.605 10.005) 10.078 7.700 ( 18.173 41.616 -1.779) 45.445 9.533 ( -2.090 -7.825 -4.840) 9.435 12.592 ( 1.364 51.303 -0.255) 51.321 12.801 ( 15.361 13.356 3.912) 20.728 15.481 ( -4.919 15.843 -1.468) 16.654 15.810 ( -9.532 5.805 -3.807) 11.792 18.196 ( 12.777 -11.855 -6.040) 18.447 20.154 ( -6.696 3.282 7.845) 10.824 22.643 ( -2.622 -15.469 0.170) 15.691 ======================= Grid point 2918 (828/891) ======================= q-point: (-0.33 -0.43 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( -0.141 0.834 2.220) 2.376 3.389 ( 0.180 1.363 -1.545) 2.068 7.317 ( -1.171 -1.985 4.356) 4.928 8.508 ( 30.301 40.206 -2.037) 50.387 9.391 ( -3.018 -9.703 -0.883) 10.200 12.978 ( 20.260 2.781 7.261) 21.700 13.405 ( 8.871 53.582 -2.706) 54.379 15.519 ( -12.616 21.365 -3.103) 25.005 15.646 ( -9.377 -0.317 -1.113) 9.448 18.347 ( 17.832 -10.657 -3.221) 21.023 20.048 ( -11.699 3.037 6.716) 13.828 22.429 ( -4.778 -15.259 -1.687) 16.079 ======================= Grid point 2938 (829/891) ======================= q-point: (-0.38 -0.38 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( 0.000 0.765 2.961) 3.058 3.386 ( -0.000 1.581 -2.019) 2.565 7.347 ( 0.000 -2.159 5.533) 5.940 7.932 ( -0.000 39.688 -1.200) 39.706 9.459 ( -0.000 -9.227 -2.531) 9.568 12.590 ( 0.000 -6.847 8.621) 11.009 13.287 ( -0.000 67.676 -3.982) 67.793 15.627 ( -0.000 10.260 -0.534) 10.274 15.971 ( -0.000 8.172 -4.481) 9.320 17.977 ( -0.000 -7.162 -2.721) 7.661 20.255 ( 0.000 1.567 7.341) 7.507 22.513 ( 0.000 -15.565 -1.702) 15.658 ======================= Grid point 2939 (830/891) ======================= q-point: (-0.33 -0.38 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( -0.171 0.874 2.849) 2.985 3.394 ( 0.082 1.257 -2.198) 2.533 7.325 ( -1.077 -2.418 2.537) 3.666 8.455 ( 18.331 36.610 -1.176) 40.959 9.338 ( -2.352 -10.484 -0.757) 10.771 12.655 ( 12.979 -7.515 8.717) 17.347 13.913 ( 1.197 60.958 -4.070) 61.105 15.698 ( -2.295 6.959 0.628) 7.354 15.944 ( -10.212 10.852 -4.122) 15.461 18.021 ( 10.443 -4.467 -0.068) 11.358 20.229 ( -5.944 -0.475 6.994) 9.191 22.335 ( -2.444 -15.202 -3.743) 15.846 ======================= Grid point 2960 (831/891) ======================= q-point: (-0.33 -0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( 0.000 0.860 3.130) 3.246 3.398 ( -0.000 1.021 -2.546) 2.743 7.315 ( 0.000 -3.171 2.034) 3.767 8.630 ( -0.000 32.852 -0.787) 32.862 9.255 ( 0.000 -10.320 -1.459) 10.423 12.492 ( 0.000 -8.416 9.310) 12.550 14.457 ( -0.000 54.840 -5.475) 55.112 15.800 ( 0.000 8.019 2.831) 8.504 16.090 ( -0.000 6.659 -4.473) 8.021 17.931 ( 0.000 1.823 2.851) 3.384 20.277 ( 0.000 -3.659 7.320) 8.183 22.197 ( -0.000 -14.666 -5.975) 15.837 ======================= Grid point 3247 (832/891) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 0.000 -0.000 27.593) 27.593 1.645 ( 0.000 -0.000 27.593) 27.593 3.694 ( -0.000 0.000 -24.888) 24.888 3.694 ( -0.000 0.000 -24.888) 24.888 6.088 ( 0.000 -0.000 92.904) 92.904 11.746 ( -0.000 0.000 -63.930) 63.930 12.851 ( 0.000 -0.000 6.714) 6.714 12.851 ( 0.000 -0.000 6.714) 6.714 15.045 ( -0.000 0.000 -3.731) 3.731 15.045 ( -0.000 0.000 -3.731) 3.731 23.617 ( 0.000 -0.000 20.396) 20.396 25.384 ( -0.000 0.000 -11.535) 11.535 ======================= Grid point 3248 (833/891) ======================= q-point: ( 0.38 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 21.383 12.346 26.548) 36.256 2.323 ( 38.128 22.013 26.329) 51.298 3.696 ( 7.022 4.054 -25.703) 26.952 3.856 ( 24.510 14.151 -27.862) 39.715 6.351 ( 0.788 0.455 89.869) 89.874 11.490 ( -6.042 -3.488 -62.837) 63.223 12.906 ( 1.276 0.737 5.071) 5.281 12.978 ( 11.429 6.599 5.545) 14.315 15.031 ( 1.362 0.786 -2.572) 3.015 15.551 ( 39.844 23.004 -9.873) 47.055 23.607 ( -6.555 -3.784 19.937) 21.326 24.824 ( -42.653 -24.626 -3.482) 49.375 ======================= Grid point 3249 (834/891) ======================= q-point: ( 0.43 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 21.242 12.264 25.147) 35.128 2.949 ( 11.732 6.773 15.631) 20.685 3.909 ( 20.210 11.668 -25.927) 34.883 4.784 ( 59.989 34.635 -17.214) 71.376 6.667 ( 7.283 4.205 82.922) 83.347 11.158 ( -7.570 -4.371 -61.100) 61.722 12.935 ( 0.295 0.170 2.716) 2.737 13.359 ( 20.534 11.855 4.710) 24.174 15.090 ( 4.291 2.478 -0.880) 5.033 16.521 ( 46.082 26.605 -13.536) 54.905 23.285 ( -37.361 -21.570 18.233) 46.835 23.856 ( -29.534 -17.052 3.771) 34.311 ======================= Grid point 3250 (835/891) ======================= q-point: ( 0.48 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( 9.543 5.510 16.856) 20.138 3.110 ( 2.659 1.535 6.156) 6.879 4.488 ( 36.159 20.876 -17.851) 45.409 6.013 ( 41.270 23.827 14.494) 49.810 7.304 ( 38.129 22.014 53.648) 69.401 10.820 ( -7.445 -4.299 -58.543) 59.171 12.936 ( -0.550 -0.317 0.146) 0.651 13.881 ( 24.308 14.034 4.682) 28.457 15.212 ( 6.476 3.739 0.879) 7.529 17.423 ( 36.278 20.945 -9.608) 42.978 22.186 ( -53.252 -30.745 7.626) 61.961 23.521 ( -11.109 -6.414 9.174) 15.770 ======================= Grid point 3251 (836/891) ======================= q-point: ( 0.52 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( 0.881 0.509 2.030) 2.271 3.157 ( 4.283 2.473 9.180) 10.427 5.336 ( 41.646 24.044 -9.693) 49.055 6.642 ( 12.804 7.393 43.796) 46.224 8.643 ( 66.023 38.118 19.877) 78.785 10.503 ( -6.373 -3.680 -54.010) 54.509 12.912 ( -1.314 -0.759 -2.249) 2.713 14.438 ( 23.867 13.780 4.479) 27.921 15.377 ( 7.718 4.456 2.341) 9.214 18.043 ( 19.944 11.515 -2.626) 23.179 21.143 ( -38.901 -22.459 -1.918) 44.960 23.299 ( -11.397 -6.580 8.399) 15.612 ======================= Grid point 3252 (837/891) ======================= q-point: ( 0.57 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( 0.615 0.355 -0.341) 0.788 3.252 ( 2.705 1.562 5.535) 6.356 6.246 ( 41.186 23.779 -5.286) 47.850 6.967 ( 6.552 3.783 41.895) 42.573 9.958 ( 18.858 10.888 -8.286) 23.298 10.462 ( 42.437 24.501 -25.169) 55.088 12.863 ( -2.286 -1.320 -4.341) 5.080 14.948 ( 20.295 11.717 3.812) 23.743 15.563 ( 8.123 4.690 3.386) 9.972 18.266 ( 0.157 0.091 2.298) 2.305 20.509 ( -15.914 -9.188 -9.127) 20.517 23.053 ( -12.586 -7.267 6.989) 16.127 ======================= Grid point 3253 (838/891) ======================= q-point: ( 0.62 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( 0.722 0.417 -1.842) 2.022 3.317 ( 1.984 1.146 3.836) 4.468 7.125 ( 38.324 22.126 -2.679) 44.333 7.186 ( 4.012 2.316 29.918) 30.274 9.798 ( -9.880 -5.704 -25.321) 27.772 11.852 ( 65.449 37.787 2.334) 75.610 12.782 ( -3.702 -2.137 -6.175) 7.510 15.350 ( 14.784 8.536 2.547) 17.260 15.753 ( 7.871 4.545 4.046) 9.949 18.141 ( -8.936 -5.159 0.984) 10.365 20.326 ( -0.744 -0.430 -9.595) 9.633 22.778 ( -13.673 -7.894 5.859) 16.840 ======================= Grid point 3254 (839/891) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( 0.802 0.463 -2.706) 2.860 3.364 ( 1.428 0.824 2.985) 3.410 7.310 ( 1.380 0.797 13.896) 13.987 7.930 ( 34.047 19.657 -0.796) 39.322 9.503 ( -11.189 -6.460 -12.445) 17.939 12.660 ( -5.522 -3.188 -7.828) 10.097 13.253 ( 58.512 33.782 4.046) 67.684 15.624 ( 9.618 5.553 0.409) 11.114 15.933 ( 7.074 4.084 4.393) 9.274 17.973 ( -4.813 -2.779 -1.830) 5.851 20.319 ( 0.816 0.471 -7.761) 7.818 22.483 ( -13.986 -8.075 5.415) 17.034 ======================= Grid point 3269 (840/891) ======================= q-point: ( 0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 0.000 25.708 26.264) 36.752 2.379 ( 0.000 42.605 26.822) 50.345 3.623 ( -0.000 7.732 -26.218) 27.334 3.778 ( -0.000 28.424 -27.735) 39.714 6.599 ( 0.000 0.307 87.399) 87.399 11.313 ( -0.000 -6.257 -63.635) 63.942 12.838 ( 0.000 -2.779 6.778) 7.326 13.071 ( -0.000 16.382 3.543) 16.760 15.091 ( -0.000 4.983 -4.031) 6.410 15.475 ( -0.000 44.093 -7.762) 44.771 23.664 ( 0.000 -7.156 19.201) 20.491 24.802 ( 0.000 -49.271 -4.337) 49.462 ======================= Grid point 3270 (841/891) ======================= q-point: ( 0.43 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 12.438 24.758 26.382) 38.258 2.898 ( 10.082 14.306 19.240) 26.009 3.728 ( 9.677 16.183 -27.378) 33.242 4.376 ( 32.334 57.028 -21.363) 68.949 6.862 ( 2.136 2.507 82.517) 82.583 11.032 ( -4.314 -6.435 -62.067) 62.548 12.913 ( 7.015 -1.033 5.305) 8.856 13.271 ( 3.932 18.434 2.538) 19.019 15.117 ( -0.782 7.517 -2.385) 7.925 16.194 ( 28.700 46.685 -11.269) 55.948 23.522 ( -13.547 -22.795 19.681) 33.022 24.050 ( -22.702 -43.178 -0.751) 48.788 ======================= Grid point 3271 (842/891) ======================= q-point: ( 0.48 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( 7.391 10.918 19.302) 23.375 3.096 ( 3.216 2.097 7.793) 8.687 4.182 ( 25.286 31.759 -20.494) 45.475 5.607 ( 45.678 52.129 -4.405) 69.450 7.250 ( 13.620 12.734 70.080) 72.519 10.717 ( -5.689 -5.485 -59.164) 59.690 13.007 ( -0.413 5.666 1.665) 5.920 13.614 ( 18.331 11.872 3.352) 22.095 15.208 ( 2.379 8.828 -0.102) 9.143 17.104 ( 31.396 38.466 -9.945) 50.638 22.626 ( -41.756 -50.870 9.750) 66.530 23.626 ( -8.185 -10.583 7.056) 15.125 ======================= Grid point 3272 (843/891) ======================= q-point: ( 0.52 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 2.275 0.858 6.300) 6.753 3.168 ( 1.996 3.276 6.250) 7.333 4.991 ( 33.036 38.664 -10.406) 51.909 6.579 ( 21.646 20.179 26.498) 39.723 8.138 ( 46.345 38.511 35.674) 70.026 10.413 ( -5.617 -4.206 -54.436) 54.887 13.024 ( -5.972 9.572 -1.579) 11.392 14.096 ( 26.618 5.839 3.959) 27.537 15.355 ( 4.171 9.042 1.665) 10.096 17.864 ( 22.325 27.503 -4.300) 35.684 21.496 ( -38.580 -41.201 1.551) 56.466 23.415 ( -8.896 -9.155 7.139) 14.626 ======================= Grid point 3273 (844/891) ======================= q-point: ( 0.57 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 0.849 -0.450 0.647) 1.158 3.249 ( 1.912 2.520 4.946) 5.871 5.914 ( 33.749 39.398 -5.284) 52.145 7.003 ( 7.844 5.770 36.020) 37.313 9.532 ( 54.763 38.615 19.715) 69.848 10.175 ( 1.281 3.125 -48.816) 48.932 12.992 ( -8.459 10.625 -3.978) 14.152 14.609 ( 27.941 2.290 3.917) 28.307 15.519 ( 5.042 7.054 2.658) 9.069 18.312 ( 5.172 15.788 2.308) 16.773 20.639 ( -21.953 -25.687 -6.720) 34.451 23.182 ( -10.357 -9.507 5.779) 15.200 ======================= Grid point 3274 (845/891) ======================= q-point: ( 0.62 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( 0.774 -0.163 -1.234) 1.466 3.310 ( 1.667 1.699 3.345) 4.105 6.827 ( 31.460 38.011 -2.624) 49.411 7.222 ( 4.004 2.145 27.168) 27.545 9.806 ( -6.182 -6.020 -22.862) 24.436 11.166 ( 62.656 43.414 1.259) 76.238 12.925 ( -10.105 10.512 -5.777) 15.684 15.080 ( 24.693 1.319 3.428) 24.965 15.665 ( 5.966 2.090 2.941) 6.973 18.349 ( -12.651 6.517 4.593) 14.954 20.260 ( -1.238 -10.403 -10.246) 14.654 22.918 ( -11.661 -10.004 4.474) 16.002 ======================= Grid point 3275 (846/891) ======================= q-point: ( 0.67 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.177 ( 0.856 0.129 -2.303) 2.460 3.358 ( 1.400 1.151 2.573) 3.147 7.322 ( 1.837 -0.158 11.649) 11.794 7.691 ( 27.300 36.417 0.136) 45.514 9.564 ( -8.325 -7.119 -12.100) 16.321 12.582 ( 53.433 32.547 1.794) 62.591 12.843 ( -5.164 14.725 -5.544) 16.559 15.466 ( 17.203 3.358 2.119) 17.655 15.781 ( 9.050 -4.562 3.131) 10.608 18.161 ( -15.072 5.972 2.074) 16.344 20.223 ( 5.426 -4.847 -8.443) 11.145 22.628 ( -12.428 -10.229 3.677) 16.511 ======================= Grid point 3291 (847/891) ======================= q-point: ( 0.43 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 0.000 24.192 25.689) 35.287 2.995 ( 0.000 8.733 14.710) 17.107 3.750 ( -0.000 24.176 -27.572) 36.670 4.707 ( -0.000 75.475 -16.004) 77.153 7.099 ( 0.000 3.843 78.224) 78.319 10.831 ( -0.000 -6.452 -61.243) 61.582 12.821 ( 0.000 -2.875 6.778) 7.363 13.488 ( -0.000 24.579 0.730) 24.590 15.188 ( -0.000 7.296 -4.301) 8.469 16.436 ( -0.000 56.154 -10.214) 57.075 23.380 ( 0.000 -51.148 17.387) 54.023 23.823 ( 0.000 -28.631 1.283) 28.659 ======================= Grid point 3292 (848/891) ======================= q-point: ( 0.48 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( 2.681 10.535 17.258) 20.396 3.096 ( 2.049 2.388 8.271) 8.849 4.118 ( 16.188 39.492 -19.651) 46.988 5.612 ( 21.961 70.391 -6.225) 74.000 7.411 ( 5.535 12.019 69.060) 70.316 10.575 ( -3.316 -5.179 -58.116) 58.440 12.919 ( 11.096 -1.692 5.931) 12.695 13.695 ( -3.277 24.193 -0.325) 24.416 15.263 ( 1.476 8.867 -2.840) 9.427 17.094 ( 17.059 49.565 -9.583) 53.288 22.619 ( -21.319 -65.982 10.259) 70.095 23.632 ( -3.634 -11.875 6.500) 14.017 ======================= Grid point 3293 (849/891) ======================= q-point: ( 0.52 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( 0.911 0.078 4.792) 4.878 3.192 ( 1.600 4.086 6.933) 8.205 4.880 ( 27.128 46.734 -9.432) 54.854 6.541 ( 19.690 37.047 13.095) 43.951 8.030 ( 24.949 36.593 45.506) 63.500 10.308 ( -4.496 -3.366 -52.858) 53.156 13.129 ( 8.517 4.513 3.080) 10.119 13.885 ( 4.571 15.983 -0.077) 16.624 15.390 ( 3.161 9.366 -0.462) 9.895 17.815 ( 19.310 37.844 -6.277) 42.947 21.607 ( -28.872 -55.492 4.850) 62.741 23.460 ( -6.012 -11.055 6.143) 14.004 ======================= Grid point 3294 (850/891) ======================= q-point: ( 0.57 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 0.618 -0.578 1.670) 1.872 3.260 ( 1.250 2.683 3.473) 4.564 5.807 ( 29.687 48.532 -4.536) 57.072 7.030 ( 8.015 10.351 26.797) 29.824 9.168 ( 43.986 47.773 25.844) 69.893 10.081 ( -2.893 1.577 -47.464) 47.578 13.256 ( -4.636 14.247 -1.473) 15.055 14.193 ( 20.354 3.670 2.252) 20.805 15.527 ( 3.175 7.004 1.007) 7.756 18.385 ( 11.398 26.456 -0.747) 28.816 20.694 ( -23.458 -39.665 -1.847) 46.119 23.250 ( -8.014 -11.366 4.693) 14.677 ======================= Grid point 3295 (851/891) ======================= q-point: ( 0.62 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( 0.598 -0.353 -0.259) 0.741 3.311 ( 1.286 1.945 2.162) 3.180 6.756 ( 27.947 48.737 -2.305) 56.228 7.247 ( 3.750 2.365 21.460) 21.913 9.768 ( -2.542 -5.508 -14.691) 15.895 10.655 ( 51.107 51.135 -2.636) 72.344 13.258 ( -12.543 18.731 -4.570) 23.002 14.619 ( 27.945 -2.487 3.650) 28.292 15.622 ( 2.434 1.852 1.392) 3.361 18.649 ( -6.342 16.145 4.987) 18.049 20.125 ( -5.423 -22.124 -8.204) 24.211 23.001 ( -9.606 -11.802 3.228) 15.556 ======================= Grid point 3296 (852/891) ======================= q-point: ( 0.67 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( 0.723 0.020 -1.507) 1.671 3.354 ( 1.252 1.362 1.692) 2.507 7.322 ( 1.366 0.646 7.071) 7.230 7.677 ( 24.369 46.888 1.393) 52.861 9.585 ( -6.167 -6.945 -9.422) 13.230 12.022 ( 54.560 43.196 2.433) 69.632 13.190 ( -15.452 19.783 -5.922) 25.792 15.077 ( 28.465 -3.365 3.867) 28.923 15.653 ( 2.231 -3.811 1.111) 4.553 18.553 ( -18.952 10.933 5.304) 22.513 20.002 ( 8.701 -10.683 -8.678) 16.283 22.722 ( -10.697 -12.066 2.121) 16.264 ======================= Grid point 3313 (853/891) ======================= q-point: ( 0.48 0.48 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 0.000 0.576 6.051) 6.079 3.152 ( 0.000 6.549 11.422) 13.166 4.342 ( -0.000 46.800 -13.857) 48.808 6.117 ( -0.000 66.881 -1.048) 66.889 7.697 ( 0.000 21.345 60.283) 63.951 10.400 ( -0.000 -3.571 -54.998) 55.113 12.804 ( 0.000 -2.855 6.785) 7.362 13.998 ( -0.000 27.594 -0.818) 27.606 15.320 ( -0.000 8.795 -4.487) 9.873 17.412 ( -0.000 48.409 -9.188) 49.273 22.156 ( 0.000 -69.087 9.450) 69.730 23.565 ( 0.000 -11.807 6.329) 13.396 ======================= Grid point 3314 (854/891) ======================= q-point: ( 0.52 0.48 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( 0.243 -0.255 4.096) 4.111 3.228 ( 0.628 3.525 4.859) 6.036 4.938 ( 17.606 49.804 -7.169) 53.308 6.733 ( 6.856 38.394 11.169) 40.569 8.239 ( 11.616 44.337 42.384) 62.426 10.204 ( -2.803 -0.962 -49.617) 49.705 12.914 ( 13.293 -2.346 6.315) 14.902 14.180 ( -8.641 26.142 -1.917) 27.600 15.421 ( 2.810 9.077 -3.162) 10.015 17.914 ( 10.859 38.584 -8.140) 40.901 21.419 ( -13.967 -60.058 7.480) 62.113 23.439 ( -3.038 -12.230 5.221) 13.641 ======================= Grid point 3315 (855/891) ======================= q-point: ( 0.57 0.48 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 0.198 -0.469 2.304) 2.359 3.277 ( 0.749 2.570 1.746) 3.196 5.796 ( 27.306 50.269 -3.302) 57.302 7.107 ( 4.124 13.264 18.365) 23.027 9.154 ( 25.369 52.429 29.790) 65.420 10.036 ( -2.680 6.908 -44.911) 45.518 13.200 ( 18.487 0.638 4.808) 19.112 14.238 ( -9.497 21.065 -2.746) 23.270 15.545 ( 2.665 6.879 -1.095) 7.458 18.426 ( 13.656 26.945 -5.530) 30.710 20.642 ( -18.646 -44.396 4.213) 48.337 23.259 ( -5.569 -12.712 3.644) 14.348 ======================= Grid point 3316 (856/891) ======================= q-point: ( 0.62 0.48 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 0.219 -0.242 0.715) 0.786 3.316 ( 0.936 2.043 0.749) 2.369 6.762 ( 29.516 50.895 -1.192) 58.847 7.274 ( 1.844 3.517 13.005) 13.598 9.713 ( 0.296 -4.015 -2.137) 4.558 10.475 ( 32.176 60.328 -8.821) 68.939 13.507 ( 8.443 10.456 0.993) 13.476 14.313 ( 3.479 9.496 -0.641) 10.134 15.617 ( 0.752 1.927 -0.007) 2.069 18.824 ( 7.846 17.711 -0.973) 19.396 20.016 ( -13.471 -27.763 -0.418) 30.862 23.031 ( -7.554 -13.166 2.049) 15.317 ======================= Grid point 3317 (857/891) ======================= q-point: ( 0.67 0.48 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 0.371 0.146 -0.520) 0.655 3.352 ( 1.037 1.515 0.584) 1.927 7.327 ( 0.184 0.098 2.412) 2.421 7.735 ( 27.179 51.331 0.733) 58.087 9.590 ( -4.617 -6.663 -3.726) 8.922 11.667 ( 42.141 52.640 1.066) 67.438 13.637 ( -10.928 22.068 -3.867) 24.928 14.577 ( 23.459 -3.396 3.222) 23.921 15.612 ( -0.457 -2.689 0.311) 2.745 18.960 ( -10.785 12.054 4.886) 16.896 19.717 ( 4.715 -15.378 -5.930) 17.143 22.767 ( -8.974 -13.471 0.693) 16.202 ======================= Grid point 3335 (858/891) ======================= q-point: ( 0.52 0.52 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.136 ( 0.000 -0.359 3.506) 3.524 3.263 ( 0.000 2.830 1.948) 3.436 5.256 ( -0.000 50.761 -4.408) 50.952 7.026 ( 0.000 23.125 13.830) 26.945 8.742 ( 0.000 56.825 34.146) 66.295 10.106 ( -0.000 4.103 -45.453) 45.638 12.786 ( 0.000 -2.992 6.877) 7.500 14.522 ( -0.000 26.744 -1.485) 26.786 15.472 ( -0.000 9.529 -4.567) 10.567 18.134 ( -0.000 29.848 -9.523) 31.330 21.000 ( 0.000 -52.866 9.030) 53.631 23.356 ( 0.000 -13.068 4.000) 13.666 ======================= Grid point 3336 (859/891) ======================= q-point: ( 0.57 0.52 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( -0.057 -0.288 2.648) 2.664 3.294 ( 0.350 2.450 0.012) 2.475 5.885 ( 17.327 49.869 -2.118) 52.836 7.228 ( 0.786 9.823 11.910) 15.458 9.441 ( 8.482 41.172 31.310) 52.416 10.086 ( -0.212 28.177 -41.747) 50.367 12.899 ( 14.184 -2.984 6.589) 15.922 14.666 ( -11.319 25.046 -2.560) 27.604 15.571 ( 1.822 8.123 -3.330) 8.966 18.416 ( 9.732 16.238 -9.651) 21.249 20.501 ( -9.668 -36.525 9.268) 38.903 23.211 ( -2.887 -13.694 2.472) 14.212 ======================= Grid point 3337 (860/891) ======================= q-point: ( 0.62 0.52 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( -0.129 -0.002 1.569) 1.575 3.323 ( 0.623 2.111 -0.651) 2.295 6.747 ( 28.022 48.422 -0.230) 55.946 7.321 ( 0.216 3.850 4.387) 5.841 9.680 ( -0.547 -4.120 5.112) 6.588 10.685 ( 15.819 69.902 -9.411) 72.285 13.214 ( 23.335 -2.098 5.683) 24.109 14.651 ( -16.228 23.148 -3.743) 28.516 15.635 ( -0.402 3.057 -1.520) 3.437 18.705 ( 15.809 3.870 -8.032) 18.150 20.055 ( -14.903 -17.427 8.223) 24.360 23.011 ( -5.334 -14.185 0.841) 15.178 ======================= Grid point 3357 (861/891) ======================= q-point: ( 0.57 0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 0.000 -0.060 2.637) 2.638 3.313 ( -0.000 2.346 -1.298) 2.681 6.208 ( -0.000 48.777 -1.062) 48.788 7.318 ( 0.000 4.939 4.971) 7.007 9.669 ( 0.000 3.945 15.813) 16.298 10.471 ( -0.000 69.437 -20.775) 72.478 12.763 ( 0.000 -3.580 7.093) 7.945 14.996 ( -0.000 22.777 -1.713) 22.842 15.633 ( -0.000 9.622 -4.553) 10.645 18.380 ( -0.000 0.792 -10.790) 10.819 20.333 ( 0.000 -20.473 11.382) 23.424 23.104 ( 0.000 -14.433 1.083) 14.474 ======================= Grid point 3358 (862/891) ======================= q-point: (-0.38 -0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -0.216 0.257 2.210) 2.235 3.332 ( 0.322 2.143 -1.836) 2.840 6.816 ( 17.001 46.549 0.037) 49.557 7.353 ( -0.027 2.388 -2.726) 3.624 9.669 ( -1.237 -5.923 8.288) 10.261 11.201 ( 5.324 75.689 -6.843) 76.184 12.871 ( 14.490 -3.888 6.850) 16.492 15.106 ( -10.606 21.775 -2.701) 24.370 15.691 ( -2.160 6.199 -3.347) 7.369 18.406 ( 11.745 -8.815 -8.657) 17.047 20.171 ( -7.979 -5.866 10.617) 14.519 22.939 ( -2.781 -14.978 -0.489) 15.242 ======================= Grid point 3379 (863/891) ======================= q-point: (-0.38 -0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( 0.000 0.519 2.484) 2.538 3.344 ( -0.000 2.061 -2.531) 3.264 7.112 ( -0.000 44.741 0.276) 44.742 7.354 ( -0.000 1.188 -8.422) 8.506 9.640 ( 0.000 -8.206 10.617) 13.418 11.882 ( -0.000 75.765 -4.805) 75.917 12.724 ( 0.000 -4.760 7.423) 8.817 15.368 ( -0.000 16.561 -1.698) 16.648 15.790 ( -0.000 9.162 -4.482) 10.200 18.169 ( -0.000 -12.377 -5.638) 13.601 20.243 ( 0.000 0.168 9.866) 9.868 22.811 ( 0.000 -15.567 -2.001) 15.695 ======================= Grid point 3711 (864/891) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 0.000 -0.000 25.744) 25.744 1.872 ( 0.000 -0.000 25.744) 25.744 3.485 ( -0.000 0.000 -24.213) 24.213 3.485 ( -0.000 0.000 -24.213) 24.213 6.843 ( 0.000 -0.000 84.822) 84.822 11.200 ( -0.000 0.000 -64.467) 64.467 12.902 ( 0.000 -0.000 5.352) 5.352 12.902 ( 0.000 -0.000 5.352) 5.352 15.016 ( -0.000 0.000 -3.045) 3.045 15.016 ( -0.000 0.000 -3.045) 3.045 23.780 ( 0.000 -0.000 17.640) 17.640 25.288 ( -0.000 0.000 -10.875) 10.875 ======================= Grid point 3712 (865/891) ======================= q-point: ( 0.43 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 21.613 12.478 25.796) 35.893 2.551 ( 37.756 21.798 27.456) 51.522 3.479 ( 6.137 3.543 -25.257) 26.232 3.616 ( 23.667 13.664 -28.832) 39.725 7.074 ( 0.198 0.114 80.185) 80.185 10.956 ( -5.248 -3.030 -62.276) 62.571 12.941 ( 0.639 0.369 3.066) 3.154 13.025 ( 11.096 6.406 5.330) 13.877 15.014 ( 1.861 1.074 -1.355) 2.540 15.480 ( 37.209 21.483 -7.023) 43.536 23.764 ( -6.096 -3.519 16.910) 18.316 24.781 ( -39.391 -22.743 -6.131) 45.897 ======================= Grid point 3713 (866/891) ======================= q-point: ( 0.48 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 19.244 11.110 26.456) 34.550 3.068 ( 6.435 3.715 12.088) 14.189 3.686 ( 21.947 12.671 -26.721) 36.827 4.649 ( 66.557 38.427 -14.115) 78.139 7.331 ( 4.620 2.667 72.714) 72.909 10.646 ( -6.765 -3.906 -58.540) 59.059 12.948 ( -0.412 -0.238 0.379) 0.609 13.400 ( 20.394 11.774 4.965) 24.066 15.089 ( 4.814 2.780 0.603) 5.592 16.427 ( 45.875 26.486 -8.805) 53.699 23.428 ( -42.450 -24.508 15.270) 51.341 23.862 ( -23.661 -13.661 -1.917) 27.389 ======================= Grid point 3714 (867/891) ======================= q-point: ( 0.52 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( 5.755 3.323 13.787) 15.305 3.150 ( 1.018 0.588 3.282) 3.486 4.352 ( 39.970 23.077 -13.889) 48.198 6.074 ( 55.577 32.087 2.770) 64.235 7.785 ( 23.779 13.729 55.313) 61.753 10.341 ( -6.284 -3.628 -52.744) 53.241 12.927 ( -1.190 -0.687 -2.163) 2.562 13.921 ( 24.208 13.977 4.612) 28.331 15.226 ( 6.891 3.979 2.307) 8.285 17.362 ( 37.953 21.912 -4.925) 44.100 22.233 ( -55.992 -32.327 3.432) 64.745 23.581 ( -10.417 -6.014 5.088) 13.061 ======================= Grid point 3715 (868/891) ======================= q-point: ( 0.57 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 0.141 0.081 0.154) 0.224 3.224 ( 2.802 1.618 6.351) 7.128 5.269 ( 43.265 24.979 -5.817) 50.296 6.931 ( 19.153 11.058 24.373) 32.911 8.846 ( 58.801 33.949 25.282) 72.452 10.074 ( -5.263 -3.039 -44.341) 44.755 12.884 ( -1.848 -1.067 -4.289) 4.790 14.474 ( 23.683 13.673 3.913) 27.625 15.402 ( 7.988 4.612 3.499) 9.866 18.039 ( 22.026 12.717 1.642) 25.486 21.116 ( -41.846 -24.160 -4.510) 48.530 23.353 ( -11.377 -6.568 4.316) 13.828 ======================= Grid point 3716 (869/891) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 0.165 0.095 -1.512) 1.524 3.291 ( 2.165 1.250 3.649) 4.423 6.213 ( 41.913 24.199 -2.298) 48.452 7.243 ( 5.526 3.191 21.937) 22.846 9.833 ( -5.546 -3.202 -20.292) 21.279 10.364 ( 67.878 39.190 2.492) 78.419 12.819 ( -2.742 -1.583 -6.005) 6.789 14.976 ( 20.015 11.555 2.885) 23.290 15.595 ( 8.272 4.776 4.189) 10.429 18.305 ( 0.336 0.194 6.820) 6.831 20.426 ( -17.016 -9.824 -10.537) 22.296 23.096 ( -12.572 -7.258 3.005) 14.824 ======================= Grid point 3733 (870/891) ======================= q-point: ( 0.43 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 0.000 26.418 24.464) 36.006 2.611 ( 0.000 42.652 27.895) 50.964 3.406 ( -0.000 6.108 -24.765) 25.507 3.540 ( -0.000 27.352 -28.437) 39.456 7.292 ( 0.000 -0.170 75.071) 75.072 10.784 ( -0.000 -5.673 -60.023) 60.291 12.890 ( 0.000 -2.384 5.558) 6.048 13.095 ( -0.000 15.284 1.927) 15.405 15.059 ( -0.000 4.673 -3.542) 5.864 15.425 ( -0.000 41.548 -4.230) 41.762 23.811 ( 0.000 -6.416 15.304) 16.595 24.756 ( 0.000 -45.940 -5.925) 46.321 ======================= Grid point 3734 (871/891) ======================= q-point: ( 0.48 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 12.381 24.359 27.372) 38.677 3.048 ( 5.793 7.571 15.562) 18.249 3.493 ( 9.918 15.914 -28.055) 33.745 4.211 ( 36.331 63.998 -17.013) 75.532 7.504 ( 1.376 1.568 67.420) 67.452 10.527 ( -3.850 -5.990 -55.351) 55.808 12.951 ( 5.054 -0.128 3.625) 6.221 13.289 ( 5.231 17.041 1.617) 17.898 15.101 ( 0.674 6.953 -1.497) 7.145 16.119 ( 27.717 45.761 -6.516) 53.896 23.680 ( -13.738 -22.624 17.586) 31.778 24.018 ( -21.977 -41.133 -6.574) 47.098 ======================= Grid point 3735 (872/891) ======================= q-point: ( 0.52 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 3.782 5.395 14.492) 15.919 3.149 ( 1.432 1.212 4.788) 5.143 4.026 ( 29.024 36.408 -15.494) 49.071 5.568 ( 50.734 57.006 -3.854) 76.410 7.794 ( 9.146 8.707 54.896) 56.329 10.251 ( -4.894 -4.969 -48.030) 48.533 13.012 ( -2.441 6.516 -0.631) 6.987 13.642 ( 19.605 10.657 3.272) 22.553 15.212 ( 3.513 8.383 0.908) 9.134 17.041 ( 32.299 38.818 -5.092) 50.754 22.689 ( -44.041 -52.329 4.958) 68.575 23.669 ( -7.274 -9.056 3.332) 12.084 ======================= Grid point 3736 (873/891) ======================= q-point: ( 0.57 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 0.357 -0.447 0.899) 1.065 3.222 ( 1.815 2.433 5.329) 6.133 4.923 ( 34.533 40.361 -5.384) 53.390 6.728 ( 31.078 27.871 10.388) 43.018 8.441 ( 36.165 30.759 29.900) 56.107 10.008 ( -4.481 -3.908 -36.660) 37.139 13.002 ( -7.078 9.817 -3.649) 12.641 14.129 ( 26.951 5.399 3.800) 27.748 15.372 ( 4.926 8.593 2.442) 10.201 17.846 ( 24.430 28.215 -0.094) 37.322 21.496 ( -41.353 -42.192 -1.548) 59.099 23.458 ( -8.897 -8.955 3.020) 12.979 ======================= Grid point 3737 (874/891) ======================= q-point: ( 0.62 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( 0.130 -0.372 -1.135) 1.202 3.282 ( 1.761 1.725 2.773) 3.710 5.884 ( 34.363 39.934 -1.744) 52.712 7.218 ( 8.939 6.360 13.954) 17.750 9.709 ( 57.338 44.891 -2.431) 72.861 9.823 ( -2.296 -3.724 -8.863) 9.884 12.951 ( -9.139 10.672 -5.582) 15.119 14.640 ( 27.765 2.344 3.462) 28.078 15.544 ( 5.563 6.436 3.135) 9.066 18.349 ( 7.103 16.262 6.179) 18.791 20.575 ( -24.550 -26.417 -8.200) 36.983 23.214 ( -10.406 -9.439 1.679) 14.149 ======================= Grid point 3755 (875/891) ======================= q-point: ( 0.48 0.48 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( 0.000 20.541 26.090) 33.206 3.102 ( 0.000 3.355 10.150) 10.691 3.516 ( -0.000 27.354 -27.577) 38.843 4.591 ( -0.000 81.270 -10.661) 81.966 7.689 ( 0.000 2.812 58.591) 58.659 10.350 ( -0.000 -6.218 -49.426) 49.815 12.874 ( 0.000 -2.538 5.679) 6.220 13.487 ( -0.000 24.138 -1.053) 24.161 15.153 ( -0.000 7.068 -3.944) 8.094 16.373 ( -0.000 54.732 -4.825) 54.944 23.509 ( 0.000 -59.378 12.504) 60.680 23.816 ( 0.000 -18.441 -2.085) 18.559 ======================= Grid point 3756 (876/891) ======================= q-point: ( 0.52 0.48 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( 0.423 0.574 5.178) 5.227 3.172 ( 1.261 4.497 9.631) 10.703 3.980 ( 18.537 45.494 -11.783) 50.519 5.566 ( 23.737 74.371 -3.930) 78.166 7.915 ( 3.977 9.330 45.781) 46.891 10.142 ( -2.831 -5.093 -40.249) 40.669 12.964 ( 9.987 -1.050 4.700) 11.088 13.686 ( -2.906 23.581 -1.655) 23.817 15.241 ( 2.865 8.487 -2.403) 9.275 17.035 ( 17.299 48.944 -4.452) 52.102 22.686 ( -22.390 -66.581 5.351) 70.449 23.671 ( -3.457 -10.491 2.995) 11.444 ======================= Grid point 3757 (877/891) ======================= q-point: ( 0.57 0.48 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( 0.112 -0.463 1.516) 1.589 3.234 ( 1.022 2.393 2.695) 3.746 4.825 ( 28.080 48.515 -3.425) 56.159 6.603 ( 25.085 44.445 2.941) 51.120 8.361 ( 19.030 30.001 25.802) 43.908 9.947 ( -3.557 -3.945 -26.913) 27.432 13.147 ( 5.615 6.100 1.105) 8.365 13.884 ( 6.662 14.434 -0.068) 15.897 15.387 ( 4.361 8.890 -0.144) 9.904 17.780 ( 20.830 37.536 -2.066) 42.978 21.635 ( -30.946 -55.444 1.624) 63.516 23.495 ( -6.124 -10.823 2.046) 12.603 ======================= Grid point 3758 (878/891) ======================= q-point: ( 0.62 0.48 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( -0.077 -0.452 -0.400) 0.608 3.280 ( 1.354 1.952 1.014) 2.582 5.785 ( 30.015 49.038 -0.681) 57.498 7.164 ( 10.174 12.038 4.648) 16.433 9.338 ( 41.698 52.080 0.616) 66.719 9.804 ( -2.553 -4.446 -4.320) 6.704 13.235 ( -6.897 15.368 -3.399) 17.184 14.214 ( 21.881 2.727 2.743) 22.220 15.536 ( 3.898 6.432 1.094) 7.600 18.392 ( 14.026 26.123 2.468) 29.753 20.673 ( -26.535 -39.443 -3.110) 47.640 23.272 ( -8.128 -11.281 0.531) 13.914 ======================= Grid point 3777 (879/891) ======================= q-point: ( 0.52 0.52 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( 0.000 -0.156 3.202) 3.206 3.217 ( 0.000 2.702 3.221) 4.204 4.260 ( -0.000 50.399 -4.910) 50.638 6.101 ( -0.000 71.622 -2.043) 71.651 8.113 ( 0.000 17.840 32.225) 36.833 10.022 ( -0.000 -4.202 -29.274) 29.574 12.857 ( 0.000 -2.529 5.762) 6.293 13.984 ( -0.000 27.671 -2.489) 27.783 15.283 ( -0.000 8.644 -4.185) 9.603 17.355 ( -0.000 47.152 -4.256) 47.344 22.218 ( 0.000 -68.556 5.222) 68.755 23.602 ( 0.000 -11.413 2.500) 11.684 ======================= Grid point 3778 (880/891) ======================= q-point: ( 0.57 0.52 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( -0.130 -0.390 1.801) 1.848 3.247 ( 0.517 2.307 -0.373) 2.394 4.903 ( 17.961 50.830 -0.923) 53.917 6.773 ( 8.723 44.527 -0.586) 45.377 8.518 ( 9.435 40.736 15.957) 44.755 9.901 ( -2.254 -3.368 -15.258) 15.787 12.964 ( 12.716 -1.891 5.275) 13.896 14.159 ( -8.923 26.092 -3.099) 27.749 15.395 ( 3.962 8.881 -2.936) 10.159 17.863 ( 11.634 37.132 -4.002) 39.117 21.470 ( -15.051 -58.955 4.574) 61.018 23.466 ( -3.156 -12.157 1.106) 12.609 ======================= Grid point 3799 (881/891) ======================= q-point: (-0.43 -0.43 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( 0.000 -0.301 1.745) 1.771 3.261 ( -0.000 2.419 -2.419) 3.421 5.240 ( -0.000 50.965 0.868) 50.972 7.058 ( -0.000 26.623 -5.788) 27.245 8.956 ( -0.000 60.426 7.591) 60.901 9.865 ( -0.000 -2.964 -3.161) 4.333 12.841 ( 0.000 -2.636 5.863) 6.428 14.503 ( -0.000 27.048 -2.884) 27.201 15.435 ( -0.000 9.433 -4.254) 10.348 18.070 ( -0.000 27.761 -5.653) 28.330 21.067 ( 0.000 -51.018 6.898) 51.482 23.372 ( 0.000 -13.096 -0.159) 13.096 ======================= Grid point 4176 (882/891) ======================= q-point: ( 0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 0.000 -0.000 20.779) 20.779 2.072 ( 0.000 -0.000 20.779) 20.779 3.294 ( -0.000 0.000 -20.026) 20.026 3.294 ( -0.000 0.000 -20.026) 20.026 7.499 ( 0.000 -0.000 68.427) 68.427 10.680 ( -0.000 0.000 -56.349) 56.349 12.940 ( 0.000 -0.000 3.456) 3.456 12.940 ( 0.000 -0.000 3.456) 3.456 14.994 ( -0.000 0.000 -2.001) 2.001 14.994 ( -0.000 0.000 -2.001) 2.001 23.909 ( 0.000 -0.000 12.481) 12.481 25.206 ( -0.000 0.000 -8.250) 8.250 ======================= Grid point 4177 (883/891) ======================= q-point: ( 0.48 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 23.431 13.528 21.255) 34.406 2.785 ( 39.816 22.988 27.620) 53.634 3.280 ( 4.006 2.313 -20.823) 21.330 3.372 ( 20.784 12.000 -28.625) 37.355 7.675 ( -0.114 -0.066 58.861) 58.861 10.471 ( -4.881 -2.818 -49.384) 49.705 12.957 ( -0.100 -0.058 0.752) 0.761 13.065 ( 11.240 6.489 4.101) 13.611 15.009 ( 2.455 1.418 0.045) 2.836 15.432 ( 35.615 20.563 -4.423) 41.362 23.885 ( -5.194 -2.999 11.074) 12.594 24.730 ( -38.240 -22.078 -5.463) 44.493 ======================= Grid point 4178 (884/891) ======================= q-point: ( 0.52 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( 15.519 8.960 26.628) 32.096 3.145 ( 1.774 1.024 5.679) 6.037 3.460 ( 25.599 14.780 -26.295) 39.563 4.557 ( 71.575 41.324 -7.114) 82.953 7.849 ( 3.365 1.943 45.454) 45.619 10.215 ( -6.255 -3.612 -39.104) 39.766 12.941 ( -1.113 -0.643 -1.952) 2.337 13.440 ( 20.410 11.784 4.228) 23.944 15.100 ( 5.334 3.080 2.011) 6.480 16.372 ( 46.020 26.570 -4.422) 53.323 23.536 ( -51.193 -29.556 9.752) 59.911 23.832 ( -14.695 -8.484 -4.467) 17.546 ======================= Grid point 4179 (885/891) ======================= q-point: ( 0.57 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 0.029 0.017 0.041) 0.052 3.201 ( 2.498 1.442 6.772) 7.361 4.265 ( 43.326 25.014 -5.955) 50.382 6.088 ( 61.281 35.381 1.180) 70.771 8.149 ( 17.753 10.250 24.379) 31.852 9.994 ( -5.265 -3.040 -23.504) 24.278 12.900 ( -1.754 -1.012 -4.189) 4.653 13.957 ( 24.073 13.899 3.826) 28.059 15.250 ( 7.240 4.180 3.445) 9.042 17.339 ( 39.484 22.796 -0.386) 45.594 22.244 ( -58.079 -33.532 -0.887) 67.070 23.608 ( -9.945 -5.742 1.247) 11.551 ======================= Grid point 4198 (886/891) ======================= q-point: ( 0.48 0.48 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 0.000 29.038 16.606) 33.451 2.847 ( 0.000 47.131 27.422) 54.528 3.222 ( -0.000 2.902 -17.032) 17.277 3.301 ( -0.000 22.370 -27.467) 35.424 7.823 ( 0.000 -0.307 46.461) 46.462 10.345 ( -0.000 -5.486 -39.682) 40.060 12.930 ( 0.000 -1.770 3.793) 4.185 13.103 ( -0.000 14.316 -0.150) 14.317 15.033 ( -0.000 4.180 -2.656) 4.953 15.402 ( -0.000 40.367 -1.097) 40.382 23.913 ( 0.000 -5.395 8.204) 9.819 24.712 ( 0.000 -44.702 -3.912) 44.873 ======================= Grid point 4199 (887/891) ======================= q-point: ( 0.52 0.48 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( 14.361 27.228 26.503) 40.620 3.145 ( 1.322 1.304 6.494) 6.755 3.258 ( 8.284 12.550 -26.754) 30.690 4.105 ( 40.393 70.475 -6.995) 81.531 7.939 ( 0.993 1.387 30.173) 30.221 10.160 ( -3.619 -5.988 -26.183) 27.102 12.972 ( 2.524 1.210 1.294) 3.084 13.298 ( 7.298 15.506 0.539) 17.146 15.092 ( 2.374 6.124 -0.508) 6.588 16.083 ( 26.791 45.576 -2.138) 52.910 23.814 ( -10.825 -17.261 13.225) 24.290 23.945 ( -24.890 -45.229 -9.608) 52.511 ======================= Grid point 4200 (888/891) ======================= q-point: ( 0.57 0.48 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 4631 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( 0.092 -0.120 0.065) 0.165 3.202 ( 1.315 1.800 3.565) 4.205 3.941 ( 32.011 40.612 -3.244) 51.813 5.550 ( 52.737 58.593 -0.150) 78.832 8.089 ( 7.040 7.709 8.982) 13.772 9.988 ( -4.037 -4.994 -8.190) 10.408 12.997 ( -4.353 7.372 -2.863) 9.027 13.668 ( 20.853 9.738 2.690) 23.172 15.223 ( 4.733 7.656 1.758) 9.171 17.018 ( 33.056 39.171 -0.374) 51.257 22.709 ( -45.681 -53.012 -0.175) 69.979 23.683 ( -6.915 -8.178 0.130) 10.710 ======================= Grid point 4220 (889/891) ======================= q-point: ( 0.52 0.52 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( 0.000 0.339 2.710) 2.731 3.178 ( 0.000 3.514 9.833) 10.443 3.310 ( -0.000 44.081 -10.777) 45.379 4.535 ( -0.000 84.416 -2.218) 84.445 8.009 ( 0.000 3.084 11.357) 11.768 10.076 ( -0.000 -6.687 -9.947) 11.986 12.916 ( 0.000 -1.995 4.033) 4.500 13.470 ( -0.000 23.777 -2.823) 23.944 15.122 ( -0.000 6.681 -3.165) 7.393 16.353 ( -0.000 53.725 -0.023) 53.725 23.574 ( 0.000 -67.649 1.833) 67.674 23.805 ( 0.000 -8.919 0.705) 8.947 ======================= Grid point 4641 (890/891) ======================= q-point: ( 0.48 0.48 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 891 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 0.000 -0.000 8.876) 8.876 2.203 ( 0.000 -0.000 8.876) 8.876 3.167 ( -0.000 0.000 -8.653) 8.653 3.167 ( -0.000 0.000 -8.653) 8.653 7.938 ( 0.000 -0.000 30.116) 30.116 10.310 ( -0.000 0.000 -26.112) 26.112 12.960 ( 0.000 -0.000 1.195) 1.195 12.960 ( 0.000 -0.000 1.195) 1.195 14.983 ( -0.000 0.000 -0.698) 0.698 14.983 ( -0.000 0.000 -0.698) 0.698 23.983 ( 0.000 -0.000 4.615) 4.615 25.156 ( -0.000 0.000 -3.176) 3.176 ======================= Grid point 4642 (891/891) ======================= q-point: ( 0.52 0.48 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2431 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 26.453 15.273 4.972) 30.947 2.989 ( 57.479 33.186 11.695) 67.394 3.161 ( 2.707 1.563 -12.195) 12.589 3.161 ( 0.963 0.556 -4.543) 4.677 7.990 ( -0.186 -0.108 10.472) 10.474 10.201 ( -4.808 -2.776 -9.146) 10.699 12.953 ( -0.854 -0.493 -1.620) 1.896 13.092 ( 11.707 6.759 2.272) 13.708 15.015 ( 3.068 1.772 1.444) 3.826 15.405 ( 34.874 20.135 -1.763) 40.308 23.941 ( -4.403 -2.542 1.838) 5.407 24.699 ( -38.365 -22.150 -1.189) 44.316 =================== 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 3/111132 10.0 1813.216 1813.216 26490.853 -0.000 0.000 -0.000 3/111132 20.0 2544.333 2544.333 9569.833 -0.000 0.000 -0.000 3/111132 30.0 2008.990 2008.990 5596.337 -0.000 0.000 -0.000 3/111132 40.0 1552.546 1552.546 3736.034 -0.000 0.000 -0.000 3/111132 50.0 1214.389 1214.389 2738.338 -0.000 0.000 -0.000 3/111132 60.0 959.156 959.156 2123.760 -0.000 0.000 -0.000 3/111132 70.0 759.080 759.080 1694.521 -0.000 0.000 -0.000 3/111132 80.0 601.122 601.122 1370.654 -0.000 0.000 -0.000 3/111132 90.0 478.495 478.495 1118.184 -0.000 0.000 -0.000 3/111132 100.0 385.165 385.165 919.805 -0.000 0.000 -0.000 3/111132 110.0 314.914 314.914 763.917 -0.000 0.000 -0.000 3/111132 120.0 262.057 262.057 641.350 -0.000 0.000 -0.000 3/111132 130.0 221.976 221.976 544.642 -0.000 0.000 -0.000 3/111132 140.0 191.193 191.193 467.857 -0.000 0.000 -0.000 3/111132 150.0 167.189 167.189 406.385 -0.000 0.000 -0.000 3/111132 160.0 148.169 148.169 356.711 -0.000 0.000 -0.000 3/111132 170.0 132.858 132.858 316.170 -0.000 0.000 -0.000 3/111132 180.0 120.344 120.344 282.754 -0.000 0.000 -0.000 3/111132 190.0 109.972 109.972 254.939 -0.000 0.000 -0.000 3/111132 200.0 101.263 101.263 231.569 -0.000 0.000 -0.000 3/111132 210.0 93.863 93.863 211.755 -0.000 0.000 -0.000 3/111132 220.0 87.507 87.507 194.813 -0.000 0.000 -0.000 3/111132 230.0 81.993 81.993 180.211 -0.000 0.000 -0.000 3/111132 240.0 77.168 77.168 167.532 -0.000 0.000 -0.000 3/111132 250.0 72.911 72.911 156.445 -0.000 0.000 -0.000 3/111132 260.0 69.127 69.127 146.687 -0.000 0.000 -0.000 3/111132 270.0 65.742 65.742 138.045 -0.000 0.000 -0.000 3/111132 280.0 62.695 62.695 130.350 -0.000 0.000 -0.000 3/111132 290.0 59.937 59.937 123.460 -0.000 0.000 -0.000 3/111132 300.0 57.428 57.428 117.260 -0.000 0.000 -0.000 3/111132 310.0 55.136 55.136 111.657 -0.000 0.000 -0.000 3/111132 320.0 53.032 53.032 106.571 -0.000 0.000 -0.000 3/111132 330.0 51.093 51.093 101.935 -0.000 0.000 -0.000 3/111132 340.0 49.301 49.301 97.693 -0.000 0.000 -0.000 3/111132 350.0 47.639 47.639 93.800 -0.000 0.000 -0.000 3/111132 360.0 46.092 46.092 90.213 -0.000 0.000 -0.000 3/111132 370.0 44.649 44.649 86.899 -0.000 0.000 -0.000 3/111132 380.0 43.300 43.300 83.828 -0.000 0.000 -0.000 3/111132 390.0 42.034 42.034 80.975 -0.000 0.000 -0.000 3/111132 400.0 40.844 40.844 78.317 -0.000 0.000 -0.000 3/111132 410.0 39.724 39.724 75.836 -0.000 0.000 -0.000 3/111132 420.0 38.667 38.667 73.513 -0.000 0.000 -0.000 3/111132 430.0 37.668 37.668 71.334 -0.000 0.000 -0.000 3/111132 440.0 36.722 36.722 69.287 -0.000 0.000 -0.000 3/111132 450.0 35.824 35.824 67.360 -0.000 0.000 -0.000 3/111132 460.0 34.971 34.971 65.541 -0.000 0.000 -0.000 3/111132 470.0 34.160 34.160 63.823 -0.000 0.000 -0.000 3/111132 480.0 33.388 33.388 62.197 -0.000 0.000 -0.000 3/111132 490.0 32.651 32.651 60.656 -0.000 0.000 -0.000 3/111132 500.0 31.947 31.947 59.193 -0.000 0.000 -0.000 3/111132 510.0 31.274 31.274 57.802 -0.000 0.000 -0.000 3/111132 520.0 30.630 30.630 56.478 -0.000 0.000 -0.000 3/111132 530.0 30.013 30.013 55.216 -0.000 0.000 -0.000 3/111132 540.0 29.421 29.421 54.013 -0.000 0.000 -0.000 3/111132 550.0 28.853 28.853 52.863 -0.000 0.000 -0.000 3/111132 560.0 28.307 28.307 51.763 -0.000 0.000 -0.000 3/111132 570.0 27.783 27.783 50.710 -0.000 0.000 -0.000 3/111132 580.0 27.278 27.278 49.701 -0.000 0.000 -0.000 3/111132 590.0 26.791 26.791 48.734 -0.000 0.000 -0.000 3/111132 600.0 26.322 26.322 47.805 -0.000 0.000 -0.000 3/111132 610.0 25.870 25.870 46.913 -0.000 0.000 -0.000 3/111132 620.0 25.433 25.433 46.054 -0.000 0.000 -0.000 3/111132 630.0 25.011 25.011 45.228 -0.000 0.000 -0.000 3/111132 640.0 24.604 24.604 44.433 -0.000 0.000 -0.000 3/111132 650.0 24.210 24.210 43.666 -0.000 0.000 -0.000 3/111132 660.0 23.828 23.828 42.926 -0.000 0.000 -0.000 3/111132 670.0 23.459 23.459 42.212 -0.000 0.000 -0.000 3/111132 680.0 23.101 23.101 41.522 -0.000 0.000 -0.000 3/111132 690.0 22.754 22.754 40.855 -0.000 0.000 -0.000 3/111132 700.0 22.418 22.418 40.211 -0.000 0.000 -0.000 3/111132 710.0 22.092 22.092 39.587 -0.000 0.000 -0.000 3/111132 720.0 21.775 21.775 38.983 -0.000 0.000 -0.000 3/111132 730.0 21.468 21.468 38.398 -0.000 0.000 -0.000 3/111132 740.0 21.169 21.169 37.831 -0.000 0.000 -0.000 3/111132 750.0 20.878 20.878 37.280 -0.000 0.000 -0.000 3/111132 760.0 20.596 20.596 36.747 -0.000 0.000 -0.000 3/111132 770.0 20.321 20.321 36.229 -0.000 0.000 -0.000 3/111132 780.0 20.054 20.054 35.726 -0.000 0.000 -0.000 3/111132 790.0 19.793 19.793 35.237 -0.000 0.000 -0.000 3/111132 800.0 19.540 19.540 34.762 -0.000 0.000 -0.000 3/111132 810.0 19.293 19.293 34.300 -0.000 0.000 -0.000 3/111132 820.0 19.052 19.052 33.850 -0.000 0.000 -0.000 3/111132 830.0 18.817 18.817 33.412 -0.000 0.000 -0.000 3/111132 840.0 18.588 18.588 32.986 -0.000 0.000 -0.000 3/111132 850.0 18.365 18.365 32.572 -0.000 0.000 -0.000 3/111132 860.0 18.147 18.147 32.167 -0.000 0.000 -0.000 3/111132 870.0 17.934 17.934 31.773 -0.000 0.000 -0.000 3/111132 880.0 17.726 17.726 31.389 -0.000 0.000 -0.000 3/111132 890.0 17.523 17.523 31.014 -0.000 0.000 -0.000 3/111132 900.0 17.325 17.325 30.649 -0.000 0.000 -0.000 3/111132 910.0 17.131 17.131 30.292 -0.000 0.000 -0.000 3/111132 920.0 16.942 16.942 29.943 -0.000 0.000 -0.000 3/111132 930.0 16.756 16.756 29.603 -0.000 0.000 -0.000 3/111132 940.0 16.575 16.575 29.271 -0.000 0.000 -0.000 3/111132 950.0 16.398 16.398 28.946 -0.000 0.000 -0.000 3/111132 960.0 16.224 16.224 28.628 -0.000 0.000 -0.000 3/111132 970.0 16.055 16.055 28.318 -0.000 0.000 -0.000 3/111132 980.0 15.888 15.888 28.014 -0.000 0.000 -0.000 3/111132 990.0 15.726 15.726 27.717 -0.000 0.000 -0.000 3/111132 1000.0 15.566 15.566 27.427 -0.000 0.000 -0.000 3/111132 Thermal conductivity related properties were written into "kappa-m212121.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:46:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|