----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:44:48]------------------------- 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 1.912316173241423 1.104076257396608 6.338096076666659 b -1.912316173241419 1.104076257396608 6.338096076666659 c 0.000000000000002 -2.208152514793220 6.338096076666659 Atomic positions (fractional): *1 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 *2 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 *3 O 0.10390483381564 0.10390483381564 0.10390483381564 15.999 4 O 0.89609516618436 0.89609516618436 0.89609516618436 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.824632346482842 0.000000000000000 0.000000000000000 b -1.912316173241421 3.312228772189828 0.000000000000000 c 0.000000000000000 0.000000000000000 19.014288229999998 Atomic positions (fractional): *1 Sr 0.33333333333333 0.66666666666667 0.16666666666667 87.620 > 1 2 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 1 3 Sr 0.66666666666667 0.33333333333333 0.83333333333333 87.620 > 1 *4 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 2 5 Hg 0.66666666666667 0.33333333333333 0.33333333333333 200.590 > 2 6 Hg 0.33333333333333 0.66666666666667 0.66666666666667 200.590 > 2 *7 O 0.00000000000000 0.00000000000000 0.10390483381564 15.999 > 3 8 O 0.66666666666667 0.33333333333333 0.22942849951770 15.999 > 4 9 O 0.66666666666667 0.33333333333333 0.43723816714897 15.999 > 3 10 O 0.33333333333333 0.66666666666667 0.56276183285103 15.999 > 4 11 O 0.33333333333333 0.66666666666667 0.77057150048230 15.999 > 3 12 O 0.00000000000000 0.00000000000000 0.89609516618436 15.999 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.473897039448525 0.000000000000000 0.000000000000000 b -5.736948519724263 9.936686316569483 0.000000000000000 c 0.000000000000000 0.000000000000000 19.014288229999998 Atomic positions (fractional): *1 Sr 0.11111111111111 0.22222222222222 0.16666666666667 87.620 > 1 2 Sr 0.44444444444444 0.22222222222222 0.16666666666667 87.620 > 1 3 Sr 0.77777777777778 0.22222222222222 0.16666666666667 87.620 > 1 4 Sr 0.11111111111111 0.55555555555556 0.16666666666667 87.620 > 1 5 Sr 0.44444444444444 0.55555555555556 0.16666666666667 87.620 > 1 6 Sr 0.77777777777778 0.55555555555556 0.16666666666667 87.620 > 1 7 Sr 0.11111111111111 0.88888888888889 0.16666666666667 87.620 > 1 8 Sr 0.44444444444444 0.88888888888889 0.16666666666667 87.620 > 1 9 Sr 0.77777777777778 0.88888888888889 0.16666666666667 87.620 > 1 10 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 1 11 Sr 0.33333333333333 0.00000000000000 0.50000000000000 87.620 > 1 12 Sr 0.66666666666667 0.00000000000000 0.50000000000000 87.620 > 1 13 Sr 0.00000000000000 0.33333333333333 0.50000000000000 87.620 > 1 14 Sr 0.33333333333333 0.33333333333333 0.50000000000000 87.620 > 1 15 Sr 0.66666666666667 0.33333333333333 0.50000000000000 87.620 > 1 16 Sr 0.00000000000000 0.66666666666667 0.50000000000000 87.620 > 1 17 Sr 0.33333333333333 0.66666666666667 0.50000000000000 87.620 > 1 18 Sr 0.66666666666667 0.66666666666667 0.50000000000000 87.620 > 1 19 Sr 0.22222222222222 0.11111111111111 0.83333333333333 87.620 > 1 20 Sr 0.55555555555556 0.11111111111111 0.83333333333333 87.620 > 1 21 Sr 0.88888888888889 0.11111111111111 0.83333333333333 87.620 > 1 22 Sr 0.22222222222222 0.44444444444444 0.83333333333333 87.620 > 1 23 Sr 0.55555555555556 0.44444444444444 0.83333333333333 87.620 > 1 24 Sr 0.88888888888889 0.44444444444444 0.83333333333333 87.620 > 1 25 Sr 0.22222222222222 0.77777777777778 0.83333333333333 87.620 > 1 26 Sr 0.55555555555556 0.77777777777778 0.83333333333333 87.620 > 1 27 Sr 0.88888888888889 0.77777777777778 0.83333333333333 87.620 > 1 *28 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 2 29 Hg 0.33333333333333 0.00000000000000 0.00000000000000 200.590 > 2 30 Hg 0.66666666666667 0.00000000000000 0.00000000000000 200.590 > 2 31 Hg 0.00000000000000 0.33333333333333 0.00000000000000 200.590 > 2 32 Hg 0.33333333333333 0.33333333333333 0.00000000000000 200.590 > 2 33 Hg 0.66666666666667 0.33333333333333 0.00000000000000 200.590 > 2 34 Hg 0.00000000000000 0.66666666666667 0.00000000000000 200.590 > 2 35 Hg 0.33333333333333 0.66666666666667 0.00000000000000 200.590 > 2 36 Hg 0.66666666666667 0.66666666666667 0.00000000000000 200.590 > 2 37 Hg 0.22222222222222 0.11111111111111 0.33333333333333 200.590 > 2 38 Hg 0.55555555555556 0.11111111111111 0.33333333333333 200.590 > 2 39 Hg 0.88888888888889 0.11111111111111 0.33333333333333 200.590 > 2 40 Hg 0.22222222222222 0.44444444444444 0.33333333333333 200.590 > 2 41 Hg 0.55555555555556 0.44444444444444 0.33333333333333 200.590 > 2 42 Hg 0.88888888888889 0.44444444444444 0.33333333333333 200.590 > 2 43 Hg 0.22222222222222 0.77777777777778 0.33333333333333 200.590 > 2 44 Hg 0.55555555555556 0.77777777777778 0.33333333333333 200.590 > 2 45 Hg 0.88888888888889 0.77777777777778 0.33333333333333 200.590 > 2 46 Hg 0.11111111111111 0.22222222222222 0.66666666666667 200.590 > 2 47 Hg 0.44444444444444 0.22222222222222 0.66666666666667 200.590 > 2 48 Hg 0.77777777777778 0.22222222222222 0.66666666666667 200.590 > 2 49 Hg 0.11111111111111 0.55555555555556 0.66666666666667 200.590 > 2 50 Hg 0.44444444444444 0.55555555555556 0.66666666666667 200.590 > 2 51 Hg 0.77777777777778 0.55555555555556 0.66666666666667 200.590 > 2 52 Hg 0.11111111111111 0.88888888888889 0.66666666666667 200.590 > 2 53 Hg 0.44444444444444 0.88888888888889 0.66666666666667 200.590 > 2 54 Hg 0.77777777777778 0.88888888888889 0.66666666666667 200.590 > 2 *55 O 0.00000000000000 0.00000000000000 0.10390483381564 15.999 > 3 56 O 0.33333333333333 0.00000000000000 0.10390483381564 15.999 > 3 57 O 0.66666666666667 0.00000000000000 0.10390483381564 15.999 > 3 58 O 0.00000000000000 0.33333333333333 0.10390483381564 15.999 > 3 59 O 0.33333333333333 0.33333333333333 0.10390483381564 15.999 > 3 60 O 0.66666666666667 0.33333333333333 0.10390483381564 15.999 > 3 61 O 0.00000000000000 0.66666666666667 0.10390483381564 15.999 > 3 62 O 0.33333333333333 0.66666666666667 0.10390483381564 15.999 > 3 63 O 0.66666666666667 0.66666666666667 0.10390483381564 15.999 > 3 64 O 0.22222222222222 0.11111111111111 0.22942849951770 15.999 > 4 65 O 0.55555555555556 0.11111111111111 0.22942849951770 15.999 > 4 66 O 0.88888888888889 0.11111111111111 0.22942849951770 15.999 > 4 67 O 0.22222222222222 0.44444444444444 0.22942849951770 15.999 > 4 68 O 0.55555555555556 0.44444444444444 0.22942849951770 15.999 > 4 69 O 0.88888888888889 0.44444444444444 0.22942849951770 15.999 > 4 70 O 0.22222222222222 0.77777777777778 0.22942849951770 15.999 > 4 71 O 0.55555555555556 0.77777777777778 0.22942849951770 15.999 > 4 72 O 0.88888888888889 0.77777777777778 0.22942849951770 15.999 > 4 73 O 0.22222222222222 0.11111111111111 0.43723816714897 15.999 > 3 74 O 0.55555555555556 0.11111111111111 0.43723816714897 15.999 > 3 75 O 0.88888888888889 0.11111111111111 0.43723816714897 15.999 > 3 76 O 0.22222222222222 0.44444444444444 0.43723816714897 15.999 > 3 77 O 0.55555555555556 0.44444444444444 0.43723816714897 15.999 > 3 78 O 0.88888888888889 0.44444444444444 0.43723816714897 15.999 > 3 79 O 0.22222222222222 0.77777777777778 0.43723816714897 15.999 > 3 80 O 0.55555555555556 0.77777777777778 0.43723816714897 15.999 > 3 81 O 0.88888888888889 0.77777777777778 0.43723816714897 15.999 > 3 82 O 0.11111111111111 0.22222222222222 0.56276183285103 15.999 > 4 83 O 0.44444444444444 0.22222222222222 0.56276183285103 15.999 > 4 84 O 0.77777777777778 0.22222222222222 0.56276183285103 15.999 > 4 85 O 0.11111111111111 0.55555555555556 0.56276183285103 15.999 > 4 86 O 0.44444444444444 0.55555555555556 0.56276183285103 15.999 > 4 87 O 0.77777777777778 0.55555555555556 0.56276183285103 15.999 > 4 88 O 0.11111111111111 0.88888888888889 0.56276183285103 15.999 > 4 89 O 0.44444444444444 0.88888888888889 0.56276183285103 15.999 > 4 90 O 0.77777777777778 0.88888888888889 0.56276183285103 15.999 > 4 91 O 0.11111111111111 0.22222222222222 0.77057150048230 15.999 > 3 92 O 0.44444444444444 0.22222222222222 0.77057150048230 15.999 > 3 93 O 0.77777777777778 0.22222222222222 0.77057150048230 15.999 > 3 94 O 0.11111111111111 0.55555555555556 0.77057150048230 15.999 > 3 95 O 0.44444444444444 0.55555555555556 0.77057150048230 15.999 > 3 96 O 0.77777777777778 0.55555555555556 0.77057150048230 15.999 > 3 97 O 0.11111111111111 0.88888888888889 0.77057150048230 15.999 > 3 98 O 0.44444444444444 0.88888888888889 0.77057150048230 15.999 > 3 99 O 0.77777777777778 0.88888888888889 0.77057150048230 15.999 > 3 100 O 0.00000000000000 0.00000000000000 0.89609516618436 15.999 > 4 101 O 0.33333333333333 0.00000000000000 0.89609516618436 15.999 > 4 102 O 0.66666666666667 0.00000000000000 0.89609516618436 15.999 > 4 103 O 0.00000000000000 0.33333333333333 0.89609516618436 15.999 > 4 104 O 0.33333333333333 0.33333333333333 0.89609516618436 15.999 > 4 105 O 0.66666666666667 0.33333333333333 0.89609516618436 15.999 > 4 106 O 0.00000000000000 0.66666666666667 0.89609516618436 15.999 > 4 107 O 0.33333333333333 0.66666666666667 0.89609516618436 15.999 > 4 108 O 0.66666666666667 0.66666666666667 0.89609516618436 15.999 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4470081 0.0000000 0.0000000 0.0000000 3.4470081 0.0000000 0.0000000 0.0000000 4.6552717 -------------------------- Born effective charges -------------------------- 1 Sr 2.5186418 0.0000000 0.0000000 0.0000000 2.5186418 0.0000000 0.0000000 0.0000000 2.8113435 2 Hg 0.2644111 0.0000000 0.0000000 0.0000000 0.2644111 0.0000000 0.0000000 0.0000000 2.7375941 3 O -1.3915264 -0.0000000 0.0000000 0.0000000 -1.3915264 0.0000000 0.0000000 0.0000000 -2.7744688 4 O -1.3915264 -0.0000000 0.0000000 0.0000000 -1.3915264 0.0000000 0.0000000 0.0000000 -2.7744688 ---------------------------------------------------------------------------- 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: 221 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: 0.117 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.124 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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: 221 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 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:44:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:44:53]------------------------- 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 1.912316173241423 1.104076257396608 6.338096076666659 b -1.912316173241419 1.104076257396608 6.338096076666659 c 0.000000000000002 -2.208152514793220 6.338096076666659 Atomic positions (fractional): 1 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 2 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 3 O 0.10390483381564 0.10390483381564 0.10390483381564 15.999 4 O 0.89609516618436 0.89609516618436 0.89609516618436 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.473897039448525 0.000000000000000 0.000000000000000 b -5.736948519724263 9.936686316569483 0.000000000000000 c 0.000000000000000 0.000000000000000 19.014288229999998 Atomic positions (fractional): 1 Sr 0.11111111111111 0.22222222222222 0.16666666666667 87.620 > 1 2 Sr 0.44444444444444 0.22222222222222 0.16666666666667 87.620 > 1 3 Sr 0.77777777777778 0.22222222222222 0.16666666666667 87.620 > 1 4 Sr 0.11111111111111 0.55555555555556 0.16666666666667 87.620 > 1 5 Sr 0.44444444444444 0.55555555555556 0.16666666666667 87.620 > 1 6 Sr 0.77777777777778 0.55555555555556 0.16666666666667 87.620 > 1 7 Sr 0.11111111111111 0.88888888888889 0.16666666666667 87.620 > 1 8 Sr 0.44444444444444 0.88888888888889 0.16666666666667 87.620 > 1 9 Sr 0.77777777777778 0.88888888888889 0.16666666666667 87.620 > 1 10 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 1 11 Sr 0.33333333333333 0.00000000000000 0.50000000000000 87.620 > 1 12 Sr 0.66666666666667 0.00000000000000 0.50000000000000 87.620 > 1 13 Sr 0.00000000000000 0.33333333333333 0.50000000000000 87.620 > 1 14 Sr 0.33333333333333 0.33333333333333 0.50000000000000 87.620 > 1 15 Sr 0.66666666666667 0.33333333333333 0.50000000000000 87.620 > 1 16 Sr 0.00000000000000 0.66666666666667 0.50000000000000 87.620 > 1 17 Sr 0.33333333333333 0.66666666666667 0.50000000000000 87.620 > 1 18 Sr 0.66666666666667 0.66666666666667 0.50000000000000 87.620 > 1 19 Sr 0.22222222222222 0.11111111111111 0.83333333333333 87.620 > 1 20 Sr 0.55555555555556 0.11111111111111 0.83333333333333 87.620 > 1 21 Sr 0.88888888888889 0.11111111111111 0.83333333333333 87.620 > 1 22 Sr 0.22222222222222 0.44444444444444 0.83333333333333 87.620 > 1 23 Sr 0.55555555555556 0.44444444444444 0.83333333333333 87.620 > 1 24 Sr 0.88888888888889 0.44444444444444 0.83333333333333 87.620 > 1 25 Sr 0.22222222222222 0.77777777777778 0.83333333333333 87.620 > 1 26 Sr 0.55555555555556 0.77777777777778 0.83333333333333 87.620 > 1 27 Sr 0.88888888888889 0.77777777777778 0.83333333333333 87.620 > 1 28 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 28 29 Hg 0.33333333333333 0.00000000000000 0.00000000000000 200.590 > 28 30 Hg 0.66666666666667 0.00000000000000 0.00000000000000 200.590 > 28 31 Hg 0.00000000000000 0.33333333333333 0.00000000000000 200.590 > 28 32 Hg 0.33333333333333 0.33333333333333 0.00000000000000 200.590 > 28 33 Hg 0.66666666666667 0.33333333333333 0.00000000000000 200.590 > 28 34 Hg 0.00000000000000 0.66666666666667 0.00000000000000 200.590 > 28 35 Hg 0.33333333333333 0.66666666666667 0.00000000000000 200.590 > 28 36 Hg 0.66666666666667 0.66666666666667 0.00000000000000 200.590 > 28 37 Hg 0.22222222222222 0.11111111111111 0.33333333333333 200.590 > 28 38 Hg 0.55555555555556 0.11111111111111 0.33333333333333 200.590 > 28 39 Hg 0.88888888888889 0.11111111111111 0.33333333333333 200.590 > 28 40 Hg 0.22222222222222 0.44444444444444 0.33333333333333 200.590 > 28 41 Hg 0.55555555555556 0.44444444444444 0.33333333333333 200.590 > 28 42 Hg 0.88888888888889 0.44444444444444 0.33333333333333 200.590 > 28 43 Hg 0.22222222222222 0.77777777777778 0.33333333333333 200.590 > 28 44 Hg 0.55555555555556 0.77777777777778 0.33333333333333 200.590 > 28 45 Hg 0.88888888888889 0.77777777777778 0.33333333333333 200.590 > 28 46 Hg 0.11111111111111 0.22222222222222 0.66666666666667 200.590 > 28 47 Hg 0.44444444444444 0.22222222222222 0.66666666666667 200.590 > 28 48 Hg 0.77777777777778 0.22222222222222 0.66666666666667 200.590 > 28 49 Hg 0.11111111111111 0.55555555555556 0.66666666666667 200.590 > 28 50 Hg 0.44444444444444 0.55555555555556 0.66666666666667 200.590 > 28 51 Hg 0.77777777777778 0.55555555555556 0.66666666666667 200.590 > 28 52 Hg 0.11111111111111 0.88888888888889 0.66666666666667 200.590 > 28 53 Hg 0.44444444444444 0.88888888888889 0.66666666666667 200.590 > 28 54 Hg 0.77777777777778 0.88888888888889 0.66666666666667 200.590 > 28 55 O 0.00000000000000 0.00000000000000 0.10390483381564 15.999 > 55 56 O 0.33333333333333 0.00000000000000 0.10390483381564 15.999 > 55 57 O 0.66666666666667 0.00000000000000 0.10390483381564 15.999 > 55 58 O 0.00000000000000 0.33333333333333 0.10390483381564 15.999 > 55 59 O 0.33333333333333 0.33333333333333 0.10390483381564 15.999 > 55 60 O 0.66666666666667 0.33333333333333 0.10390483381564 15.999 > 55 61 O 0.00000000000000 0.66666666666667 0.10390483381564 15.999 > 55 62 O 0.33333333333333 0.66666666666667 0.10390483381564 15.999 > 55 63 O 0.66666666666667 0.66666666666667 0.10390483381564 15.999 > 55 64 O 0.22222222222222 0.11111111111111 0.22942849951770 15.999 > 64 65 O 0.55555555555556 0.11111111111111 0.22942849951770 15.999 > 64 66 O 0.88888888888889 0.11111111111111 0.22942849951770 15.999 > 64 67 O 0.22222222222222 0.44444444444444 0.22942849951770 15.999 > 64 68 O 0.55555555555556 0.44444444444444 0.22942849951770 15.999 > 64 69 O 0.88888888888889 0.44444444444444 0.22942849951770 15.999 > 64 70 O 0.22222222222222 0.77777777777778 0.22942849951770 15.999 > 64 71 O 0.55555555555556 0.77777777777778 0.22942849951770 15.999 > 64 72 O 0.88888888888889 0.77777777777778 0.22942849951770 15.999 > 64 73 O 0.22222222222222 0.11111111111111 0.43723816714897 15.999 > 55 74 O 0.55555555555556 0.11111111111111 0.43723816714897 15.999 > 55 75 O 0.88888888888889 0.11111111111111 0.43723816714897 15.999 > 55 76 O 0.22222222222222 0.44444444444444 0.43723816714897 15.999 > 55 77 O 0.55555555555556 0.44444444444444 0.43723816714897 15.999 > 55 78 O 0.88888888888889 0.44444444444444 0.43723816714897 15.999 > 55 79 O 0.22222222222222 0.77777777777778 0.43723816714897 15.999 > 55 80 O 0.55555555555556 0.77777777777778 0.43723816714897 15.999 > 55 81 O 0.88888888888889 0.77777777777778 0.43723816714897 15.999 > 55 82 O 0.11111111111111 0.22222222222222 0.56276183285103 15.999 > 64 83 O 0.44444444444444 0.22222222222222 0.56276183285103 15.999 > 64 84 O 0.77777777777778 0.22222222222222 0.56276183285103 15.999 > 64 85 O 0.11111111111111 0.55555555555556 0.56276183285103 15.999 > 64 86 O 0.44444444444444 0.55555555555556 0.56276183285103 15.999 > 64 87 O 0.77777777777778 0.55555555555556 0.56276183285103 15.999 > 64 88 O 0.11111111111111 0.88888888888889 0.56276183285103 15.999 > 64 89 O 0.44444444444444 0.88888888888889 0.56276183285103 15.999 > 64 90 O 0.77777777777778 0.88888888888889 0.56276183285103 15.999 > 64 91 O 0.11111111111111 0.22222222222222 0.77057150048230 15.999 > 55 92 O 0.44444444444444 0.22222222222222 0.77057150048230 15.999 > 55 93 O 0.77777777777778 0.22222222222222 0.77057150048230 15.999 > 55 94 O 0.11111111111111 0.55555555555556 0.77057150048230 15.999 > 55 95 O 0.44444444444444 0.55555555555556 0.77057150048230 15.999 > 55 96 O 0.77777777777778 0.55555555555556 0.77057150048230 15.999 > 55 97 O 0.11111111111111 0.88888888888889 0.77057150048230 15.999 > 55 98 O 0.44444444444444 0.88888888888889 0.77057150048230 15.999 > 55 99 O 0.77777777777778 0.88888888888889 0.77057150048230 15.999 > 55 100 O 0.00000000000000 0.00000000000000 0.89609516618436 15.999 > 64 101 O 0.33333333333333 0.00000000000000 0.89609516618436 15.999 > 64 102 O 0.66666666666667 0.00000000000000 0.89609516618436 15.999 > 64 103 O 0.00000000000000 0.33333333333333 0.89609516618436 15.999 > 64 104 O 0.33333333333333 0.33333333333333 0.89609516618436 15.999 > 64 105 O 0.66666666666667 0.33333333333333 0.89609516618436 15.999 > 64 106 O 0.00000000000000 0.66666666666667 0.89609516618436 15.999 > 64 107 O 0.33333333333333 0.66666666666667 0.89609516618436 15.999 > 64 108 O 0.66666666666667 0.66666666666667 0.89609516618436 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4470081 0.0000000 0.0000000 0.0000000 3.4470081 0.0000000 0.0000000 0.0000000 4.6552717 -------------------------- Born effective charges -------------------------- 1 Sr 2.5186418 0.0000000 0.0000000 0.0000000 2.5186418 0.0000000 0.0000000 0.0000000 2.8113435 2 Hg 0.2644111 0.0000000 0.0000000 0.0000000 0.2644111 0.0000000 0.0000000 0.0000000 2.7375941 3 O -1.3915264 -0.0000000 0.0000000 0.0000000 -1.3915264 0.0000000 0.0000000 0.0000000 -2.7744688 4 O -1.3915264 -0.0000000 0.0000000 0.0000000 -1.3915264 0.0000000 0.0000000 0.0000000 -2.7744688 ---------------------------------------------------------------------------- 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[ 28, 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] 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 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:44:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:44:58]------------------------- 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 1.912316173241423 1.104076257396608 6.338096076666659 b -1.912316173241419 1.104076257396608 6.338096076666659 c 0.000000000000002 -2.208152514793220 6.338096076666659 Atomic positions (fractional): 1 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 2 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 3 O 0.10390483381564 0.10390483381564 0.10390483381564 15.999 4 O 0.89609516618436 0.89609516618436 0.89609516618436 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.473897039448525 0.000000000000000 0.000000000000000 b -5.736948519724263 9.936686316569483 0.000000000000000 c 0.000000000000000 0.000000000000000 19.014288229999998 Atomic positions (fractional): 1 Sr 0.11111111111111 0.22222222222222 0.16666666666667 87.620 > 1 2 Sr 0.44444444444444 0.22222222222222 0.16666666666667 87.620 > 1 3 Sr 0.77777777777778 0.22222222222222 0.16666666666667 87.620 > 1 4 Sr 0.11111111111111 0.55555555555556 0.16666666666667 87.620 > 1 5 Sr 0.44444444444444 0.55555555555556 0.16666666666667 87.620 > 1 6 Sr 0.77777777777778 0.55555555555556 0.16666666666667 87.620 > 1 7 Sr 0.11111111111111 0.88888888888889 0.16666666666667 87.620 > 1 8 Sr 0.44444444444444 0.88888888888889 0.16666666666667 87.620 > 1 9 Sr 0.77777777777778 0.88888888888889 0.16666666666667 87.620 > 1 10 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 1 11 Sr 0.33333333333333 0.00000000000000 0.50000000000000 87.620 > 1 12 Sr 0.66666666666667 0.00000000000000 0.50000000000000 87.620 > 1 13 Sr 0.00000000000000 0.33333333333333 0.50000000000000 87.620 > 1 14 Sr 0.33333333333333 0.33333333333333 0.50000000000000 87.620 > 1 15 Sr 0.66666666666667 0.33333333333333 0.50000000000000 87.620 > 1 16 Sr 0.00000000000000 0.66666666666667 0.50000000000000 87.620 > 1 17 Sr 0.33333333333333 0.66666666666667 0.50000000000000 87.620 > 1 18 Sr 0.66666666666667 0.66666666666667 0.50000000000000 87.620 > 1 19 Sr 0.22222222222222 0.11111111111111 0.83333333333333 87.620 > 1 20 Sr 0.55555555555556 0.11111111111111 0.83333333333333 87.620 > 1 21 Sr 0.88888888888889 0.11111111111111 0.83333333333333 87.620 > 1 22 Sr 0.22222222222222 0.44444444444444 0.83333333333333 87.620 > 1 23 Sr 0.55555555555556 0.44444444444444 0.83333333333333 87.620 > 1 24 Sr 0.88888888888889 0.44444444444444 0.83333333333333 87.620 > 1 25 Sr 0.22222222222222 0.77777777777778 0.83333333333333 87.620 > 1 26 Sr 0.55555555555556 0.77777777777778 0.83333333333333 87.620 > 1 27 Sr 0.88888888888889 0.77777777777778 0.83333333333333 87.620 > 1 28 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 28 29 Hg 0.33333333333333 0.00000000000000 0.00000000000000 200.590 > 28 30 Hg 0.66666666666667 0.00000000000000 0.00000000000000 200.590 > 28 31 Hg 0.00000000000000 0.33333333333333 0.00000000000000 200.590 > 28 32 Hg 0.33333333333333 0.33333333333333 0.00000000000000 200.590 > 28 33 Hg 0.66666666666667 0.33333333333333 0.00000000000000 200.590 > 28 34 Hg 0.00000000000000 0.66666666666667 0.00000000000000 200.590 > 28 35 Hg 0.33333333333333 0.66666666666667 0.00000000000000 200.590 > 28 36 Hg 0.66666666666667 0.66666666666667 0.00000000000000 200.590 > 28 37 Hg 0.22222222222222 0.11111111111111 0.33333333333333 200.590 > 28 38 Hg 0.55555555555556 0.11111111111111 0.33333333333333 200.590 > 28 39 Hg 0.88888888888889 0.11111111111111 0.33333333333333 200.590 > 28 40 Hg 0.22222222222222 0.44444444444444 0.33333333333333 200.590 > 28 41 Hg 0.55555555555556 0.44444444444444 0.33333333333333 200.590 > 28 42 Hg 0.88888888888889 0.44444444444444 0.33333333333333 200.590 > 28 43 Hg 0.22222222222222 0.77777777777778 0.33333333333333 200.590 > 28 44 Hg 0.55555555555556 0.77777777777778 0.33333333333333 200.590 > 28 45 Hg 0.88888888888889 0.77777777777778 0.33333333333333 200.590 > 28 46 Hg 0.11111111111111 0.22222222222222 0.66666666666667 200.590 > 28 47 Hg 0.44444444444444 0.22222222222222 0.66666666666667 200.590 > 28 48 Hg 0.77777777777778 0.22222222222222 0.66666666666667 200.590 > 28 49 Hg 0.11111111111111 0.55555555555556 0.66666666666667 200.590 > 28 50 Hg 0.44444444444444 0.55555555555556 0.66666666666667 200.590 > 28 51 Hg 0.77777777777778 0.55555555555556 0.66666666666667 200.590 > 28 52 Hg 0.11111111111111 0.88888888888889 0.66666666666667 200.590 > 28 53 Hg 0.44444444444444 0.88888888888889 0.66666666666667 200.590 > 28 54 Hg 0.77777777777778 0.88888888888889 0.66666666666667 200.590 > 28 55 O 0.00000000000000 0.00000000000000 0.10390483381564 15.999 > 55 56 O 0.33333333333333 0.00000000000000 0.10390483381564 15.999 > 55 57 O 0.66666666666667 0.00000000000000 0.10390483381564 15.999 > 55 58 O 0.00000000000000 0.33333333333333 0.10390483381564 15.999 > 55 59 O 0.33333333333333 0.33333333333333 0.10390483381564 15.999 > 55 60 O 0.66666666666667 0.33333333333333 0.10390483381564 15.999 > 55 61 O 0.00000000000000 0.66666666666667 0.10390483381564 15.999 > 55 62 O 0.33333333333333 0.66666666666667 0.10390483381564 15.999 > 55 63 O 0.66666666666667 0.66666666666667 0.10390483381564 15.999 > 55 64 O 0.22222222222222 0.11111111111111 0.22942849951770 15.999 > 64 65 O 0.55555555555556 0.11111111111111 0.22942849951770 15.999 > 64 66 O 0.88888888888889 0.11111111111111 0.22942849951770 15.999 > 64 67 O 0.22222222222222 0.44444444444444 0.22942849951770 15.999 > 64 68 O 0.55555555555556 0.44444444444444 0.22942849951770 15.999 > 64 69 O 0.88888888888889 0.44444444444444 0.22942849951770 15.999 > 64 70 O 0.22222222222222 0.77777777777778 0.22942849951770 15.999 > 64 71 O 0.55555555555556 0.77777777777778 0.22942849951770 15.999 > 64 72 O 0.88888888888889 0.77777777777778 0.22942849951770 15.999 > 64 73 O 0.22222222222222 0.11111111111111 0.43723816714897 15.999 > 55 74 O 0.55555555555556 0.11111111111111 0.43723816714897 15.999 > 55 75 O 0.88888888888889 0.11111111111111 0.43723816714897 15.999 > 55 76 O 0.22222222222222 0.44444444444444 0.43723816714897 15.999 > 55 77 O 0.55555555555556 0.44444444444444 0.43723816714897 15.999 > 55 78 O 0.88888888888889 0.44444444444444 0.43723816714897 15.999 > 55 79 O 0.22222222222222 0.77777777777778 0.43723816714897 15.999 > 55 80 O 0.55555555555556 0.77777777777778 0.43723816714897 15.999 > 55 81 O 0.88888888888889 0.77777777777778 0.43723816714897 15.999 > 55 82 O 0.11111111111111 0.22222222222222 0.56276183285103 15.999 > 64 83 O 0.44444444444444 0.22222222222222 0.56276183285103 15.999 > 64 84 O 0.77777777777778 0.22222222222222 0.56276183285103 15.999 > 64 85 O 0.11111111111111 0.55555555555556 0.56276183285103 15.999 > 64 86 O 0.44444444444444 0.55555555555556 0.56276183285103 15.999 > 64 87 O 0.77777777777778 0.55555555555556 0.56276183285103 15.999 > 64 88 O 0.11111111111111 0.88888888888889 0.56276183285103 15.999 > 64 89 O 0.44444444444444 0.88888888888889 0.56276183285103 15.999 > 64 90 O 0.77777777777778 0.88888888888889 0.56276183285103 15.999 > 64 91 O 0.11111111111111 0.22222222222222 0.77057150048230 15.999 > 55 92 O 0.44444444444444 0.22222222222222 0.77057150048230 15.999 > 55 93 O 0.77777777777778 0.22222222222222 0.77057150048230 15.999 > 55 94 O 0.11111111111111 0.55555555555556 0.77057150048230 15.999 > 55 95 O 0.44444444444444 0.55555555555556 0.77057150048230 15.999 > 55 96 O 0.77777777777778 0.55555555555556 0.77057150048230 15.999 > 55 97 O 0.11111111111111 0.88888888888889 0.77057150048230 15.999 > 55 98 O 0.44444444444444 0.88888888888889 0.77057150048230 15.999 > 55 99 O 0.77777777777778 0.88888888888889 0.77057150048230 15.999 > 55 100 O 0.00000000000000 0.00000000000000 0.89609516618436 15.999 > 64 101 O 0.33333333333333 0.00000000000000 0.89609516618436 15.999 > 64 102 O 0.66666666666667 0.00000000000000 0.89609516618436 15.999 > 64 103 O 0.00000000000000 0.33333333333333 0.89609516618436 15.999 > 64 104 O 0.33333333333333 0.33333333333333 0.89609516618436 15.999 > 64 105 O 0.66666666666667 0.33333333333333 0.89609516618436 15.999 > 64 106 O 0.00000000000000 0.66666666666667 0.89609516618436 15.999 > 64 107 O 0.33333333333333 0.66666666666667 0.89609516618436 15.999 > 64 108 O 0.66666666666667 0.66666666666667 0.89609516618436 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4470081 0.0000000 0.0000000 0.0000000 3.4470081 0.0000000 0.0000000 0.0000000 4.6552717 -------------------------- Born effective charges -------------------------- 1 Sr 2.5186418 0.0000000 0.0000000 0.0000000 2.5186418 0.0000000 0.0000000 0.0000000 2.8113435 2 Hg 0.2644111 0.0000000 0.0000000 0.0000000 0.2644111 0.0000000 0.0000000 0.0000000 2.7375941 3 O -1.3915264 -0.0000000 0.0000000 0.0000000 -1.3915264 0.0000000 0.0000000 0.0000000 -2.7744688 4 O -1.3915264 -0.0000000 0.0000000 0.0000000 -1.3915264 0.0000000 0.0000000 0.0000000 -2.7744688 ---------------------------------------------------------------------------- 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 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.96, Number of G-points: 325, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 5.102 ( 0.000 0.000 0.000) 0.000 6.959 ( 0.000 0.000 0.000) 0.000 6.959 ( 0.000 0.000 0.000) 0.000 8.012 ( 0.000 0.000 0.000) 0.000 8.012 ( 0.000 0.000 0.000) 0.000 18.354 ( 0.000 0.000 0.000) 0.000 19.487 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.248 ( 7.170 4.140 29.008) 30.166 0.331 ( 13.763 7.946 3.014) 16.176 0.656 ( 25.442 14.689 3.965) 29.645 2.751 ( 0.461 0.266 -5.526) 5.552 2.974 ( 9.586 5.534 -2.123) 11.270 5.073 ( -6.298 -3.636 12.223) 14.223 6.969 ( 0.740 0.427 0.894) 1.236 6.993 ( 2.856 1.649 0.065) 3.299 8.022 ( 0.911 0.526 0.330) 1.102 10.546 ( 10.168 5.871 -66.824) 67.848 18.509 ( -10.354 -5.978 71.709) 72.699 19.464 ( -3.185 -1.839 8.254) 9.036 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 10.409 6.010 25.715) 28.385 0.659 ( 13.210 7.627 4.794) 15.989 1.169 ( 16.962 9.793 4.392) 20.072 2.742 ( 1.260 0.727 -10.389) 10.490 3.312 ( 19.900 11.489 -0.536) 22.985 4.921 ( -9.249 -5.340 4.828) 11.720 6.994 ( 0.976 0.563 1.120) 1.589 7.085 ( 4.832 2.790 0.384) 5.592 8.058 ( 2.015 1.164 1.037) 2.548 10.548 ( 5.045 2.913 -33.013) 33.523 18.527 ( -2.594 -1.498 24.277) 24.462 19.399 ( -5.803 -3.350 14.662) 16.121 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 13.351 7.708 21.096) 26.129 0.972 ( 11.754 6.786 7.059) 15.298 1.479 ( 8.692 5.018 5.982) 11.684 2.742 ( 2.460 1.420 -14.018) 14.303 3.870 ( 27.289 15.755 -0.393) 31.513 4.682 ( -12.088 -6.979 1.110) 14.002 7.017 ( 0.564 0.326 0.624) 0.902 7.211 ( 5.644 3.258 1.083) 6.606 8.125 ( 3.247 1.875 2.047) 4.272 10.547 ( 3.007 1.736 -21.113) 21.397 18.558 ( 0.531 0.306 6.834) 6.861 19.303 ( -7.225 -4.171 18.284) 20.098 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 9.218 5.322 8.775) 13.794 1.302 ( 14.899 8.602 12.861) 21.480 1.649 ( 4.231 2.443 11.207) 12.226 2.761 ( 3.718 2.147 -15.719) 16.295 4.363 ( -12.913 -7.455 -0.673) 14.925 4.537 ( 27.120 15.658 -2.187) 31.392 7.022 ( -0.158 -0.091 -0.056) 0.190 7.348 ( 5.519 3.186 2.040) 6.691 8.221 ( 4.161 2.402 2.820) 5.571 10.538 ( 1.512 0.873 -14.439) 14.544 18.594 ( 1.445 0.835 -0.894) 1.894 19.202 ( -6.800 -3.926 18.813) 20.386 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 6.092 3.517 8.738) 11.218 1.618 ( 8.572 4.949 -5.816) 11.481 1.837 ( 9.018 5.206 26.657) 28.619 2.802 ( 4.297 2.481 -14.602) 15.422 4.006 ( -15.642 -9.031 -4.521) 18.619 5.152 ( 24.420 14.099 -1.801) 28.255 7.011 ( -0.675 -0.390 -0.419) 0.886 7.477 ( 4.780 2.760 2.803) 6.191 8.330 ( 4.204 2.427 2.863) 5.635 10.516 ( 0.267 0.154 -9.700) 9.705 18.611 ( 0.490 0.283 -2.964) 3.017 19.131 ( -4.401 -2.541 15.715) 16.516 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 3.222 1.860 6.390) 7.395 1.707 ( 2.291 1.323 -3.430) 4.331 2.208 ( 13.815 7.976 20.516) 25.988 2.851 ( 3.493 2.016 -10.322) 11.082 3.619 ( -15.540 -8.972 -7.244) 19.351 5.625 ( 16.271 9.394 -1.679) 18.863 6.992 ( -0.703 -0.406 -0.395) 0.903 7.584 ( 3.469 2.003 2.654) 4.805 8.427 ( 3.133 1.809 2.099) 4.182 10.486 ( -0.433 -0.250 -5.722) 5.744 18.598 ( -0.676 -0.391 -1.778) 1.942 19.107 ( -1.686 -0.973 9.644) 9.839 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 0.976 0.564 2.324) 2.583 1.730 ( 0.588 0.340 -0.911) 1.136 2.564 ( 10.009 5.779 10.873) 15.868 2.884 ( 1.343 0.775 -3.712) 4.023 3.269 ( -10.514 -6.070 -6.674) 13.854 5.879 ( 5.676 3.277 -0.714) 6.593 6.979 ( -0.291 -0.168 -0.151) 0.369 7.649 ( 1.328 0.767 1.125) 1.902 8.483 ( 1.159 0.669 0.766) 1.542 10.462 ( -0.295 -0.170 -1.913) 1.943 18.578 ( -0.465 -0.268 -0.444) 0.696 19.108 ( -0.322 -0.186 3.126) 3.148 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( -0.000 15.519 0.132) 15.519 0.328 ( 0.000 5.470 30.331) 30.820 0.717 ( 0.000 28.365 17.076) 33.108 2.776 ( -0.000 2.306 -0.951) 2.494 2.915 ( -0.000 10.572 -12.204) 16.146 5.141 ( 0.000 -12.062 21.466) 24.622 6.949 ( -0.000 0.177 -2.850) 2.856 7.020 ( 0.000 4.368 5.011) 6.648 8.034 ( 0.000 1.218 2.380) 2.674 10.228 ( -0.000 34.351 -102.620) 108.217 18.817 ( 0.000 -37.140 93.263) 100.386 19.519 ( 0.000 -6.687 26.173) 27.014 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 6.191 5.645 24.120) 25.533 0.600 ( 10.633 12.530 5.956) 17.480 1.121 ( 8.059 20.392 15.726) 26.983 2.758 ( -2.931 5.208 -7.572) 9.646 3.134 ( 13.267 14.201 -7.426) 20.804 5.017 ( -6.726 -9.695 10.307) 15.668 6.963 ( 2.252 0.112 -2.609) 3.449 7.099 ( 0.534 6.314 6.367) 8.983 8.060 ( 0.496 1.986 2.340) 3.109 10.315 ( 9.448 13.201 -57.410) 59.661 18.683 ( -7.317 -12.529 37.477) 40.188 19.504 ( -3.807 -7.202 26.530) 27.752 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 10.243 4.731 20.627) 23.512 0.940 ( 10.859 12.528 6.046) 17.647 1.460 ( 5.908 11.355 15.094) 19.790 2.744 ( -2.142 8.129 -12.364) 14.951 3.592 ( 22.299 17.967 -4.405) 28.973 4.797 ( -9.854 -10.083 3.889) 14.625 7.001 ( 2.349 0.656 -2.075) 3.202 7.206 ( 1.393 6.713 6.988) 9.790 8.113 ( 1.910 2.758 2.425) 4.139 10.386 ( 7.106 4.883 -35.151) 36.193 18.605 ( -2.925 -3.175 12.505) 13.229 19.435 ( -5.764 -7.703 25.115) 26.895 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 12.085 3.928 14.765) 19.480 1.258 ( 9.690 10.675 4.614) 15.137 1.678 ( 3.134 6.590 17.755) 19.196 2.764 ( -1.554 11.806 -14.477) 18.745 4.202 ( 27.028 18.086 -2.917) 32.651 4.503 ( -12.224 -10.929 -0.684) 16.412 7.036 ( 0.759 2.014 -1.855) 2.841 7.327 ( 2.359 5.437 7.548) 9.596 8.198 ( 3.173 3.503 2.689) 5.438 10.421 ( 5.188 1.293 -23.551) 24.150 18.591 ( -0.248 0.007 2.086) 2.101 19.333 ( -6.329 -7.630 22.609) 24.687 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 9.590 2.492 10.121) 14.164 1.509 ( 8.197 6.355 -2.308) 10.625 1.869 ( 4.609 5.873 23.215) 24.386 2.827 ( -1.608 15.624 -13.336) 20.604 4.150 ( -14.161 -11.288 -3.892) 18.523 4.837 ( 26.658 14.998 -2.950) 30.730 7.053 ( -1.329 3.681 -1.621) 4.236 7.446 ( 3.048 3.243 7.893) 9.061 8.307 ( 3.616 4.053 2.570) 6.009 10.430 ( 3.737 -0.899 -16.067) 16.521 18.598 ( 0.375 0.511 -1.593) 1.714 19.231 ( -5.172 -6.425 18.377) 20.143 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 5.207 0.690 6.748) 8.551 1.648 ( 4.542 2.429 -4.782) 7.028 2.139 ( 10.204 5.915 20.624) 23.758 2.922 ( -2.808 18.170 -8.719) 20.349 3.763 ( -15.012 -10.732 -6.887) 19.697 5.380 ( 21.521 9.893 -2.655) 23.835 7.055 ( -2.962 5.225 -1.150) 6.116 7.549 ( 3.157 0.761 7.483) 8.157 8.414 ( 2.818 4.166 1.808) 5.344 10.423 ( 2.760 -2.311 -10.424) 11.029 18.595 ( -0.236 -0.317 -1.668) 1.714 19.160 ( -2.897 -4.390 12.303) 13.380 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 2.262 -0.865 2.395) 3.406 1.705 ( 2.088 0.817 -2.736) 3.537 2.448 ( 11.588 3.585 11.898) 16.991 3.025 ( -4.815 18.846 -1.762) 19.531 3.381 ( -13.610 -8.397 -8.038) 17.898 5.745 ( 12.907 3.616 -1.938) 13.543 7.051 ( -3.801 6.415 -0.516) 7.475 7.617 ( 2.378 -1.674 5.858) 6.540 8.492 ( 0.858 3.642 0.509) 3.776 10.413 ( 2.554 -2.900 -5.704) 6.890 18.577 ( -0.376 -0.910 -0.585) 1.145 19.122 ( -1.157 -2.746 5.601) 6.344 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.211 -1.926 -2.025) 2.802 1.726 ( 0.705 0.091 -0.881) 1.133 2.579 ( -1.938 -5.075 -3.697) 6.571 3.091 ( -10.503 15.222 -1.234) 18.535 3.198 ( 4.295 3.148 5.658) 7.770 5.877 ( 2.275 -3.017 -0.770) 3.857 7.050 ( -3.924 7.067 0.102) 8.084 7.633 ( 0.620 -3.626 3.372) 4.990 8.515 ( -1.670 2.461 -1.006) 3.140 10.420 ( 3.061 -2.736 -1.607) 4.409 18.569 ( 0.531 -0.568 0.288) 0.829 19.094 ( -0.507 -2.041 -0.542) 2.172 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -1.837 -2.869 -5.510) 6.478 1.726 ( -0.459 -0.476 0.661) 0.935 2.306 ( -13.520 -8.372 -14.268) 21.365 3.067 ( -9.849 12.669 6.115) 17.173 3.467 ( 13.472 7.818 7.765) 17.405 5.756 ( -8.851 -9.154 0.139) 12.734 7.057 ( -3.620 6.967 0.537) 7.870 7.592 ( -1.433 -4.492 1.261) 4.881 8.477 ( -3.916 0.957 -2.286) 4.634 10.453 ( 3.515 -2.280 1.819) 4.568 18.588 ( 1.452 0.184 1.550) 2.132 19.058 ( 0.090 -1.707 -6.406) 6.630 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -4.491 -4.540 -8.063) 10.286 1.701 ( -2.498 -1.729 4.131) 5.128 1.918 ( -15.129 -5.138 -19.769) 25.418 3.028 ( -11.177 10.185 10.953) 18.672 3.825 ( 15.835 7.080 4.954) 18.039 5.396 ( -18.797 -13.686 0.232) 23.253 7.065 ( -3.210 5.948 0.644) 6.789 7.509 ( -3.143 -4.256 0.360) 5.303 8.389 ( -5.233 -0.273 -2.914) 5.996 10.504 ( 3.224 -1.931 4.622) 5.957 18.624 ( 0.685 0.416 3.899) 3.981 19.029 ( 2.268 -0.885 -12.348) 12.586 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -8.242 -8.128 -10.681) 15.750 1.512 ( -16.300 -2.702 -6.251) 17.665 1.676 ( -3.599 0.225 -8.053) 8.823 2.966 ( -10.657 7.413 12.710) 18.168 4.181 ( 15.654 5.934 2.225) 16.889 4.853 ( -25.757 -15.483 -0.241) 30.054 7.065 ( -2.891 4.072 0.343) 5.005 7.404 ( -4.559 -3.427 0.335) 5.714 8.279 ( -5.404 -0.795 -2.667) 6.078 10.555 ( 2.274 -1.662 7.064) 7.605 18.629 ( -2.079 -0.346 4.227) 4.723 19.051 ( 6.146 0.720 -15.203) 16.414 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -12.054 -9.130 -13.801) 20.472 1.196 ( -16.390 0.717 -6.880) 17.790 1.572 ( -6.583 -1.376 -2.301) 7.108 2.902 ( -8.520 4.862 11.324) 14.983 4.209 ( -28.056 -13.201 -1.671) 31.052 4.510 ( 13.660 3.849 0.842) 14.217 7.047 ( -2.621 1.842 -0.193) 3.210 7.286 ( -5.659 -2.332 0.431) 6.136 8.175 ( -4.622 -0.635 -1.683) 4.959 10.598 ( 1.186 -1.277 9.162) 9.327 18.578 ( -3.591 -0.845 -0.312) 3.703 19.144 ( 8.170 1.632 -12.226) 14.795 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -12.886 -5.707 -12.459) 18.811 0.890 ( -17.129 0.018 -3.547) 17.492 1.380 ( -13.350 -2.400 -0.783) 13.587 2.847 ( -5.673 2.447 6.977) 9.319 3.608 ( -25.968 -8.089 -1.421) 27.236 4.769 ( 11.748 2.393 -0.802) 12.016 7.013 ( -2.160 0.207 -0.448) 2.216 7.167 ( -6.055 -1.126 0.262) 6.165 8.097 ( -3.375 -0.236 -0.566) 3.430 10.636 ( 0.508 -0.672 9.610) 9.646 18.495 ( -3.619 -0.650 -5.478) 6.597 19.267 ( 7.710 1.259 -6.601) 10.227 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( -11.765 0.000 0.000) 11.765 0.580 ( -17.301 0.000 0.000) 17.301 1.044 ( -23.044 0.000 0.000) 23.044 2.798 ( -2.927 0.000 0.000) 2.927 3.176 ( -17.937 0.000 0.000) 17.937 4.955 ( 8.264 -0.000 -0.000) 8.264 6.980 ( -1.371 0.000 0.000) 1.371 7.061 ( -5.265 0.000 0.000) 5.265 8.047 ( -2.115 0.000 0.000) 2.115 10.664 ( 0.449 -0.000 -0.000) 0.449 18.414 ( -3.263 0.000 0.000) 3.263 19.381 ( 5.803 -0.000 -0.000) 5.803 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 0.000 14.205 1.309) 14.266 0.637 ( 0.000 5.214 26.111) 26.627 1.341 ( 0.000 19.401 20.478) 28.209 2.837 ( -0.000 4.812 -1.802) 5.138 3.145 ( -0.000 22.728 -14.911) 27.183 5.000 ( 0.000 -12.797 9.529) 15.954 6.934 ( -0.000 0.865 -3.912) 4.007 7.202 ( 0.000 8.162 10.479) 13.283 8.085 ( 0.000 1.685 3.105) 3.533 10.183 ( -0.000 16.201 -55.458) 57.776 18.717 ( 0.000 -13.495 25.307) 28.681 19.552 ( 0.000 -10.964 32.093) 33.914 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 4.557 5.397 20.804) 21.970 0.876 ( 10.260 11.265 3.368) 15.605 1.592 ( 1.430 12.510 19.968) 23.606 2.857 ( -2.745 9.306 -6.089) 11.455 3.468 ( 12.383 25.680 -10.395) 30.346 4.838 ( -6.000 -13.324 5.172) 15.501 6.952 ( 2.298 1.169 -3.520) 4.363 7.325 ( -0.814 9.337 12.420) 15.559 8.122 ( 1.112 2.166 2.687) 3.626 10.200 ( 5.544 9.429 -42.571) 43.954 18.651 ( -2.343 -6.237 11.553) 13.337 19.514 ( -3.257 -11.698 29.326) 31.741 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 8.170 3.798 16.908) 19.159 1.183 ( 11.073 9.030 1.375) 14.354 1.781 ( 1.337 7.287 19.066) 20.455 2.911 ( -2.245 15.651 -9.162) 18.274 3.974 ( 19.482 23.553 -6.182) 31.185 4.574 ( -9.696 -13.401 0.921) 16.567 7.005 ( 3.197 1.784 -3.224) 4.878 7.442 ( -1.883 9.264 13.432) 16.425 8.190 ( 2.750 3.068 2.381) 4.759 10.242 ( 6.253 3.710 -31.287) 32.121 18.608 ( -1.174 -1.393 3.220) 3.700 19.419 ( -4.817 -11.460 24.952) 27.877 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 9.642 2.069 10.491) 14.398 1.429 ( 8.109 5.721 0.000) 9.924 1.937 ( 2.525 4.860 18.508) 19.301 3.030 ( -2.340 21.794 -8.671) 23.572 4.239 ( -11.321 -13.267 -4.048) 17.905 4.551 ( 22.201 18.431 -3.020) 29.012 7.071 ( 2.597 3.200 -3.375) 5.327 7.536 ( -2.691 7.702 14.050) 16.247 8.293 ( 3.836 4.056 2.194) 5.998 10.269 ( 5.695 -0.240 -22.601) 23.308 18.598 ( -0.234 0.357 -0.612) 0.746 19.303 ( -4.746 -10.222 19.927) 22.893 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 7.896 -0.181 4.341) 9.012 1.582 ( 4.966 2.980 -0.963) 5.871 2.115 ( 6.043 4.112 16.341) 17.901 3.192 ( -3.827 24.920 -5.098) 25.723 3.876 ( -13.301 -11.276 -6.755) 18.700 5.087 ( 22.057 11.520 -2.865) 25.048 7.133 ( 0.861 5.496 -3.684) 6.672 7.600 ( -2.896 4.721 14.182) 15.225 8.412 ( 3.623 4.841 1.651) 6.268 10.278 ( 5.068 -3.063 -15.691) 16.771 18.592 ( -0.376 -0.045 -1.415) 1.465 19.199 ( -3.264 -7.886 13.982) 16.381 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 4.587 -1.964 0.011) 4.989 1.666 ( 2.777 1.399 -0.949) 3.251 2.340 ( 9.302 3.241 11.121) 14.856 3.322 ( -6.446 14.405 0.513) 15.790 3.540 ( -13.332 2.671 -9.144) 16.386 5.504 ( 17.364 4.007 -2.577) 18.006 7.184 ( -1.450 8.305 -3.804) 9.249 7.628 ( -2.591 0.804 13.325) 13.598 8.517 ( 1.863 5.004 0.550) 5.368 10.279 ( 4.944 -4.784 -9.956) 12.102 18.573 ( -0.638 -1.041 -0.662) 1.389 19.129 ( -1.584 -5.376 7.509) 9.369 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 1.925 -2.897 -2.854) 4.499 1.708 ( 1.384 0.581 -0.605) 1.618 2.522 ( 4.371 -1.033 1.652) 4.785 3.180 ( -4.580 -5.274 -0.798) 7.030 3.525 ( -11.286 27.037 0.082) 29.298 5.737 ( 9.374 -3.193 -2.032) 10.110 7.222 ( -3.795 10.782 -3.518) 11.959 7.619 ( -2.167 -3.039 11.212) 11.817 8.572 ( -0.990 4.188 -0.926) 4.403 10.292 ( 5.510 -5.212 -5.154) 9.170 18.554 ( 0.134 -1.144 0.193) 1.168 19.080 ( -0.913 -3.843 1.680) 4.293 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -0.307 -3.506 -5.027) 6.136 1.725 ( 0.370 0.100 -0.153) 0.412 2.400 ( -10.175 -6.676 -8.342) 14.755 3.226 ( 7.567 3.463 3.461) 9.013 3.590 ( -10.896 22.943 5.298) 25.946 5.745 ( -0.649 -9.222 -1.428) 9.355 7.242 ( -5.695 11.809 -2.752) 13.397 7.573 ( -1.858 -5.487 8.291) 10.114 8.557 ( -3.857 2.577 -2.210) 5.139 10.334 ( 6.206 -4.557 -1.425) 7.830 18.564 ( 1.681 -0.278 1.113) 2.036 19.025 ( -1.013 -3.239 -3.219) 4.677 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -3.053 -4.345 -6.731) 8.573 1.723 ( -0.623 -0.333 0.652) 0.962 2.080 ( -14.539 -4.872 -10.205) 18.419 3.374 ( -4.374 11.102 4.712) 12.829 3.702 ( 3.717 11.732 5.914) 13.654 5.523 ( -11.107 -12.964 -1.204) 17.114 7.239 ( -6.734 10.444 -1.607) 12.530 7.508 ( -1.849 -5.674 5.283) 7.970 8.481 ( -5.723 0.977 -2.689) 6.399 10.403 ( 6.216 -3.423 1.085) 7.179 18.615 ( 2.687 0.867 3.270) 4.320 18.958 ( -0.645 -2.941 -7.956) 8.506 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -7.215 -5.342 -7.670) 11.808 1.697 ( -2.949 -1.987 5.484) 6.536 1.756 ( -14.110 0.168 -13.053) 19.222 3.332 ( -14.148 11.369 7.076) 19.481 3.973 ( 14.094 4.986 2.646) 15.182 5.108 ( -20.143 -13.104 -1.299) 24.065 7.205 ( -6.648 6.746 -0.508) 9.485 7.434 ( -2.614 -3.923 2.653) 5.409 8.370 ( -6.274 0.086 -2.189) 6.646 10.483 ( 5.366 -2.204 2.485) 6.311 18.677 ( -0.034 1.146 6.882) 6.977 18.909 ( 3.182 -2.013 -12.451) 13.008 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -11.757 -4.273 -6.224) 13.972 1.463 ( -15.295 0.171 -2.823) 15.555 1.651 ( -3.887 -0.045 -1.291) 4.096 3.191 ( -13.958 5.918 5.505) 16.129 4.277 ( 15.159 2.609 0.606) 15.393 4.581 ( -26.129 -8.829 -1.013) 27.599 7.143 ( -5.608 2.554 -0.033) 6.162 7.354 ( -4.082 -1.679 0.848) 4.495 8.258 ( -5.751 -0.086 -1.065) 5.849 10.559 ( 4.033 -1.013 2.603) 4.906 18.652 ( -4.667 -0.094 2.807) 5.447 18.971 ( 8.408 -0.042 -7.237) 11.093 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -13.916 0.000 0.000) 13.916 1.183 ( -16.563 0.000 0.000) 16.563 1.550 ( -7.642 0.000 0.000) 7.642 3.016 ( -10.320 0.000 0.000) 10.320 4.045 ( -28.645 0.000 0.000) 28.645 4.552 ( 14.218 -0.000 -0.000) 14.218 7.069 ( -4.012 0.000 0.000) 4.012 7.264 ( -5.481 0.000 0.000) 5.481 8.164 ( -4.638 0.000 0.000) 4.638 10.617 ( 2.573 -0.000 -0.000) 2.573 18.566 ( -5.133 0.000 0.000) 5.133 19.115 ( 8.879 -0.000 -0.000) 8.879 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 0.000 3.645 19.764) 20.097 0.895 ( 0.000 11.486 2.167) 11.688 1.758 ( 0.000 8.559 18.863) 20.714 2.944 ( -0.000 7.195 -2.369) 7.575 3.632 ( -0.000 34.018 -11.957) 36.059 4.763 ( 0.000 -15.206 3.772) 15.666 6.935 ( -0.000 1.785 -3.275) 3.730 7.485 ( 0.000 10.472 15.819) 18.971 8.137 ( 0.000 1.547 2.340) 2.805 10.103 ( -0.000 9.597 -40.936) 42.046 18.644 ( 0.000 -4.766 6.793) 8.298 19.513 ( 0.000 -13.996 28.379) 31.643 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 3.809 2.467 15.916) 16.550 1.095 ( 8.655 8.794 1.577) 12.439 1.892 ( 0.462 5.157 16.556) 17.347 3.030 ( 1.643 10.787 -3.746) 11.537 4.000 ( 6.716 31.498 -8.517) 33.314 4.570 ( -5.321 -14.237 1.225) 15.248 6.964 ( 2.188 2.123 -2.697) 4.071 7.636 ( -1.866 10.805 17.499) 20.651 8.179 ( 2.131 1.866 1.821) 3.367 10.086 ( 3.560 6.200 -34.744) 35.472 18.620 ( -0.710 -1.573 2.375) 2.936 19.440 ( -2.414 -14.335 24.582) 28.559 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 6.814 0.859 10.167) 12.270 1.336 ( 9.091 5.602 1.206) 10.746 2.002 ( 1.330 3.349 14.383) 14.827 3.203 ( 3.724 16.720 -4.360) 17.676 4.225 ( -4.079 -10.789 -5.755) 12.890 4.496 ( 6.458 21.957 -1.777) 22.955 7.029 ( 3.497 2.521 -2.521) 4.994 7.754 ( -4.168 10.554 17.923) 21.213 8.264 ( 4.220 2.805 1.725) 5.353 10.093 ( 4.760 2.046 -27.565) 28.048 18.607 ( -0.543 0.404 -0.355) 0.764 19.325 ( -3.355 -13.225 19.823) 24.065 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 7.752 -0.839 3.858) 8.700 1.517 ( 6.210 2.926 1.038) 6.943 2.118 ( 3.415 2.665 12.191) 12.938 3.439 ( 1.936 19.849 -2.419) 20.089 3.939 ( -8.918 -11.118 -7.094) 15.921 4.891 ( 13.400 16.813 -2.470) 21.641 7.114 ( 3.888 3.126 -2.908) 5.775 7.826 ( -6.605 9.774 17.689) 21.262 8.388 ( 5.081 3.985 1.731) 6.685 10.095 ( 5.072 -1.925 -20.742) 21.440 18.599 ( -0.748 0.454 -1.257) 1.531 19.208 ( -2.785 -10.771 14.424) 18.216 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 6.362 -2.353 -0.838) 6.835 1.625 ( 3.653 1.409 0.587) 3.959 2.266 ( 6.429 2.202 9.116) 11.370 3.480 ( -8.738 -5.726 -1.455) 10.548 3.821 ( -3.685 21.144 -6.529) 22.434 5.248 ( 14.799 5.990 -2.503) 16.160 7.203 ( 3.622 3.875 -3.797) 6.524 7.843 ( -8.913 8.424 17.157) 21.090 8.521 ( 3.966 4.873 1.166) 6.390 10.089 ( 5.638 -5.153 -14.553) 16.436 18.578 ( -1.203 -0.613 -0.728) 1.534 19.119 ( -1.471 -7.613 8.546) 11.539 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 3.921 -3.219 -3.288) 6.046 1.685 ( 2.029 0.699 0.127) 2.150 2.429 ( 6.670 0.435 3.792) 7.685 3.224 ( -8.156 -7.713 -1.996) 11.401 3.984 ( -7.709 28.628 -1.480) 29.684 5.493 ( 12.593 -3.591 -2.610) 13.353 7.288 ( 2.895 4.535 -5.103) 7.416 7.805 ( -10.766 6.515 16.273) 20.570 8.617 ( 0.951 4.670 -0.201) 4.770 10.095 ( 6.957 -6.712 -8.941) 13.168 18.548 ( -0.774 -1.167 0.129) 1.406 19.058 ( -0.786 -5.109 3.218) 6.089 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 1.473 -3.454 -4.378) 5.768 1.715 ( 0.969 0.311 -0.025) 1.018 2.452 ( -3.801 -3.793 -3.633) 6.483 3.129 ( 3.954 -1.024 2.310) 4.693 4.084 ( -13.001 26.500 1.663) 29.564 5.586 ( 6.734 -10.043 -2.434) 12.334 7.356 ( 1.734 4.883 -6.595) 8.387 7.717 ( -11.645 4.082 14.858) 19.314 8.638 ( -2.665 3.096 -1.686) 4.419 10.141 ( 8.385 -6.042 -4.230) 11.168 18.539 ( 0.865 -0.635 0.746) 1.307 19.003 ( -1.152 -3.701 -0.753) 3.948 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -1.194 -3.255 -4.567) 5.734 1.727 ( 0.130 0.049 0.069) 0.155 2.242 ( -11.873 -3.715 -5.157) 13.467 3.304 ( 12.025 1.878 2.609) 12.447 4.073 ( -16.024 20.005 3.448) 25.862 5.508 ( -1.978 -11.893 -1.978) 12.218 7.397 ( 0.035 5.232 -8.066) 9.614 7.592 ( -10.947 0.815 13.101) 17.092 8.581 ( -5.263 1.235 -2.129) 5.810 10.233 ( 8.765 -3.965 -1.103) 9.683 18.576 ( 3.118 0.402 1.592) 3.524 18.935 ( -2.074 -2.879 -3.458) 4.955 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -4.701 -2.393 -3.439) 6.297 1.722 ( -0.749 -0.125 0.299) 0.817 1.972 ( -13.906 -1.304 -3.387) 14.372 3.528 ( 7.281 2.749 1.554) 7.936 3.980 ( -10.415 9.163 2.773) 14.147 5.276 ( -11.784 -8.209 -1.214) 14.413 7.399 ( -4.784 8.107 -10.638) 14.205 7.455 ( -6.171 -5.400 12.722) 15.136 8.477 ( -6.403 0.229 -1.312) 6.540 10.350 ( 7.883 -1.743 0.287) 8.079 18.666 ( 5.126 1.320 3.581) 6.391 18.849 ( -2.874 -2.258 -5.516) 6.617 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -8.836 0.000 0.000) 8.836 1.699 ( -1.959 0.000 0.000) 1.959 1.714 ( -14.329 0.000 0.000) 14.329 3.488 ( -13.172 0.000 0.000) 13.172 4.044 ( 11.500 -0.000 -0.000) 11.500 4.946 ( -20.492 0.000 0.000) 20.492 7.282 ( -8.459 0.000 0.000) 8.459 7.400 ( -2.056 0.000 0.000) 2.056 8.363 ( -6.438 0.000 0.000) 6.438 10.467 ( 6.201 -0.000 -0.000) 6.201 18.747 ( -4.911 0.000 0.000) 4.911 18.808 ( 8.060 -0.000 -0.000) 8.060 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.000 0.879 12.656) 12.687 1.106 ( 0.000 7.900 2.160) 8.190 1.983 ( 0.000 3.267 13.705) 14.089 3.087 ( -0.000 8.443 -2.525) 8.813 4.216 ( -0.000 18.784 -7.734) 20.314 4.514 ( 0.000 -0.345 0.439) 0.558 6.959 ( -0.000 2.438 -1.914) 3.099 7.830 ( 0.000 10.911 20.179) 22.940 8.178 ( 0.000 1.259 1.087) 1.663 10.001 ( -0.000 6.458 -33.563) 34.179 18.621 ( 0.000 -0.307 0.741) 0.803 19.391 ( 0.000 -15.433 21.939) 26.824 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 3.321 -0.588 8.740) 9.369 1.251 ( 6.924 5.520 1.705) 9.018 2.058 ( 0.600 2.081 11.119) 11.328 3.221 ( 6.220 9.992 -2.625) 12.059 4.154 ( -3.355 -13.634 -4.946) 14.887 4.695 ( 0.483 28.129 -2.455) 28.240 6.998 ( 2.049 2.549 -1.414) 3.563 7.991 ( -2.422 10.664 20.909) 23.596 8.222 ( 3.260 1.519 0.989) 3.730 9.966 ( 1.948 4.400 -29.396) 29.787 18.621 ( -0.403 0.995 -0.683) 1.272 19.293 ( -1.535 -14.737 18.119) 23.406 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 5.685 -1.852 3.894) 7.135 1.431 ( 7.383 3.006 1.439) 8.101 2.130 ( 1.872 1.440 8.786) 9.098 3.479 ( 10.175 11.916 -1.553) 15.746 3.907 ( -5.107 -13.383 -6.325) 15.659 4.968 ( 1.370 22.897 -2.373) 23.060 7.067 ( 3.417 2.482 -1.418) 4.455 8.104 ( -5.089 10.549 19.446) 22.700 8.329 ( 5.903 2.509 2.214) 6.785 9.940 ( 2.575 0.777 -24.084) 24.234 18.618 ( -0.932 1.169 -1.312) 1.989 19.180 ( -1.764 -12.413 13.636) 18.524 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 6.435 -2.806 -0.307) 7.027 1.566 ( 5.109 1.413 1.005) 5.395 2.220 ( 4.037 1.030 6.481) 7.705 3.541 ( -7.673 -8.989 -1.608) 11.927 3.920 ( 11.525 14.345 -5.577) 19.228 5.172 ( 2.486 12.251 -2.179) 12.689 7.151 ( 4.067 2.193 -1.803) 4.960 8.160 ( -7.978 10.371 17.211) 21.620 8.482 ( 6.250 4.001 3.115) 8.048 9.902 ( 3.407 -3.496 -18.588) 19.219 18.598 ( -1.710 0.189 -0.883) 1.934 19.087 ( -0.960 -8.929 8.619) 12.448 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 5.473 -3.179 -2.694) 6.879 1.649 ( 3.069 0.673 0.485) 3.179 2.334 ( 5.922 0.340 3.537) 6.906 3.287 ( -8.818 -7.884 -2.063) 12.007 4.270 ( 6.648 22.038 -2.313) 23.134 5.284 ( 4.693 -0.675 -2.272) 5.258 7.236 ( 4.149 1.674 -2.307) 5.033 8.151 ( -11.171 9.706 14.813) 20.938 8.627 ( 3.591 4.752 2.100) 6.315 9.872 ( 5.847 -6.618 -12.727) 15.490 18.561 ( -1.823 -0.686 -0.017) 1.948 19.026 ( -0.307 -5.605 3.922) 6.848 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 3.458 -2.793 -3.164) 5.456 1.696 ( 1.716 0.317 0.154) 1.752 2.426 ( 2.868 -1.193 -0.253) 3.116 3.107 ( -3.447 -3.289 0.134) 4.766 4.527 ( -5.342 25.006 0.259) 25.571 5.320 ( 8.218 -11.751 -2.504) 14.557 7.310 ( 3.728 1.043 -2.572) 4.648 8.066 ( -14.015 7.715 11.289) 19.580 8.697 ( -0.848 3.308 -0.176) 3.420 9.902 ( 9.244 -6.222 -6.476) 12.888 18.532 ( -0.614 -0.597 0.449) 0.967 18.983 ( -0.606 -3.308 0.682) 3.432 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 1.000 -1.712 -2.191) 2.955 1.720 ( 0.795 0.101 0.036) 0.802 2.370 ( -6.739 -1.712 -1.838) 7.192 3.136 ( 7.754 -0.004 1.202) 7.847 4.552 ( -16.052 16.075 1.374) 22.759 5.338 ( 7.662 -10.387 -1.784) 13.030 7.368 ( 2.846 0.527 -2.088) 3.569 7.899 ( -15.174 3.957 6.144) 16.842 8.669 ( -4.129 1.038 -1.033) 4.381 10.019 ( 10.737 -3.027 -1.863) 11.310 18.538 ( 1.596 -0.064 0.512) 1.678 18.939 ( -1.659 -1.654 -0.759) 2.462 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -1.757 0.000 0.000) 1.757 1.727 ( 0.051 -0.000 -0.000) 0.051 2.187 ( -11.923 0.000 0.000) 11.923 3.332 ( 13.028 -0.000 -0.000) 13.028 4.323 ( -18.494 0.000 0.000) 18.494 5.345 ( -1.299 0.000 0.000) 1.299 7.405 ( 1.582 -0.000 -0.000) 1.582 7.672 ( -13.896 0.000 0.000) 13.896 8.583 ( -5.744 0.000 0.000) 5.744 10.185 ( 9.870 -0.000 -0.000) 9.870 18.589 ( 4.136 -0.000 -0.000) 4.136 18.888 ( -2.976 0.000 0.000) 2.976 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 0.000 -1.931 6.416) 6.700 1.244 ( 0.000 4.619 1.526) 4.865 2.102 ( 0.000 1.113 8.334) 8.407 3.236 ( -0.000 7.690 -2.301) 8.027 4.020 ( -0.000 -15.390 -4.485) 16.030 4.973 ( -0.000 27.670 -2.637) 27.795 7.002 ( -0.000 2.547 -0.652) 2.629 8.191 ( 0.000 9.649 22.432) 24.419 8.204 ( 0.000 0.992 0.114) 0.999 9.901 ( -0.000 5.092 -27.785) 28.248 18.635 ( -0.000 1.726 -1.233) 2.122 19.216 ( 0.000 -14.455 15.343) 21.080 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 2.877 -2.879 3.304) 5.243 1.345 ( 5.813 2.914 1.201) 6.613 2.142 ( 0.873 0.478 5.941) 6.023 3.383 ( 9.087 7.418 -1.804) 11.868 3.824 ( -3.273 -13.811 -4.673) 14.943 5.205 ( -1.668 22.307 -2.480) 22.506 7.041 ( 1.829 2.302 -0.413) 2.969 8.248 ( 3.542 1.590 0.060) 3.883 8.348 ( -1.285 8.473 21.804) 23.427 9.857 ( -0.018 3.414 -24.003) 24.245 18.644 ( -0.709 1.856 -1.560) 2.526 19.120 ( -0.676 -12.412 11.882) 17.196 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 4.984 -3.199 0.222) 5.927 1.482 ( 6.409 1.410 0.893) 6.623 2.189 ( 2.338 0.147 3.991) 4.628 3.557 ( -3.808 -7.211 -0.437) 8.167 3.735 ( 15.216 4.753 -5.146) 16.751 5.336 ( -4.001 14.739 -2.137) 15.421 7.104 ( 3.046 1.773 -0.582) 3.573 8.344 ( 3.509 3.063 1.622) 4.932 8.483 ( -0.149 7.598 18.553) 20.049 9.790 ( -0.673 -0.252 -19.544) 19.557 18.632 ( -1.781 1.020 -1.167) 2.361 19.036 ( -0.346 -8.903 7.801) 11.842 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 5.819 -2.765 -1.563) 6.629 1.591 ( 4.594 0.591 0.497) 4.658 2.257 ( 4.207 -0.042 2.260) 4.776 3.354 ( -7.813 -6.442 -1.514) 10.239 4.146 ( 21.538 8.995 -2.168) 23.441 5.343 ( -6.581 6.026 -1.643) 9.073 7.175 ( 3.660 1.066 -0.796) 3.895 8.409 ( -2.568 4.623 5.657) 7.744 8.632 ( 2.654 6.450 10.726) 12.794 9.703 ( 0.846 -4.146 -14.303) 14.916 18.596 ( -2.508 -0.020 -0.287) 2.524 18.986 ( 0.226 -5.057 3.735) 6.291 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 5.123 -1.607 -1.501) 5.575 1.660 ( 2.844 0.210 0.167) 2.856 2.345 ( 5.061 -0.236 0.612) 5.103 3.172 ( -7.002 -2.657 -0.500) 7.506 4.608 ( 19.743 10.698 -0.539) 22.461 5.214 ( -9.089 -3.439 -1.167) 9.788 7.245 ( 3.799 0.419 -0.723) 3.890 8.373 ( -9.165 3.950 5.312) 11.305 8.740 ( 0.196 3.549 3.068) 4.696 9.679 ( 6.515 -4.197 -6.566) 10.157 18.552 ( -2.036 -0.259 0.143) 2.057 18.963 ( 0.119 -2.108 0.987) 2.331 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 3.279 -0.000 -0.000) 3.279 1.700 ( 1.627 -0.000 -0.000) 1.627 2.408 ( 1.231 -0.000 -0.000) 1.231 3.078 ( -1.319 0.000 0.000) 1.319 4.939 ( -15.827 0.000 0.000) 15.827 5.033 ( 18.065 -0.000 -0.000) 18.065 7.310 ( 3.538 -0.000 -0.000) 3.538 8.196 ( -14.318 0.000 0.000) 14.318 8.734 ( -2.656 0.000 0.000) 2.656 9.805 ( 10.849 -0.000 -0.000) 10.849 18.528 ( -0.460 0.000 0.000) 0.460 18.950 ( -0.662 0.000 0.000) 0.662 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 0.000 -3.425 1.967) 3.950 1.320 ( 0.000 2.256 0.794) 2.392 2.152 ( 0.000 -0.111 3.673) 3.675 3.353 ( -0.000 5.178 -1.680) 5.443 3.709 ( -0.000 -11.689 -3.501) 12.202 5.418 ( -0.000 17.584 -2.319) 17.736 7.047 ( -0.000 1.975 0.046) 1.975 8.220 ( -0.000 0.671 -0.278) 0.727 8.510 ( 0.000 6.669 19.751) 20.847 9.822 ( -0.000 4.010 -20.497) 20.886 18.665 ( -0.000 2.083 -1.759) 2.727 19.045 ( 0.000 -10.669 9.396) 14.216 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 2.657 -3.035 0.328) 4.046 1.391 ( 5.259 1.210 0.542) 5.423 2.169 ( 1.100 -0.283 2.074) 2.365 3.486 ( 9.515 3.260 -0.172) 10.059 3.574 ( -1.556 -7.288 -3.552) 8.255 5.531 ( -3.091 11.351 -1.786) 11.899 7.078 ( 1.578 1.381 0.014) 2.097 8.268 ( 4.703 0.717 -0.225) 4.763 8.628 ( -0.273 5.135 15.754) 16.572 9.773 ( -2.410 2.124 -15.335) 15.667 18.668 ( -1.219 1.459 -1.395) 2.358 18.980 ( 0.059 -7.319 6.135) 9.550 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 4.743 -1.732 -0.518) 5.076 1.504 ( 6.010 0.411 0.281) 6.031 2.203 ( 2.561 -0.174 0.957) 2.740 3.418 ( -5.811 -3.717 -0.740) 6.938 3.810 ( 20.634 2.677 -1.197) 20.841 5.523 ( -6.643 4.932 -0.954) 8.329 7.126 ( 2.703 0.640 -0.136) 2.781 8.380 ( 6.389 0.754 -0.019) 6.434 8.719 ( 0.420 3.764 9.760) 10.469 9.674 ( -4.351 -0.528 -9.049) 10.055 18.641 ( -2.449 0.386 -0.464) 2.522 18.947 ( 0.531 -3.249 2.528) 4.151 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 5.676 -0.000 -0.000) 5.676 1.599 ( 4.452 -0.000 -0.000) 4.452 2.263 ( 4.181 -0.000 -0.000) 4.181 3.283 ( -7.234 0.000 0.000) 7.234 4.231 ( 25.054 -0.000 -0.000) 25.054 5.396 ( -10.195 0.000 0.000) 10.195 7.183 ( 3.423 -0.000 -0.000) 3.423 8.464 ( 1.337 -0.000 -0.000) 1.337 8.769 ( 0.378 -0.000 -0.000) 0.378 9.593 ( -0.956 0.000 0.000) 0.956 18.594 ( -2.774 0.000 0.000) 2.774 18.946 ( 0.596 -0.000 -0.000) 0.596 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 0.000 -1.884 0.092) 1.886 1.351 ( 0.000 0.659 0.231) 0.698 2.161 ( 0.000 -0.263 0.840) 0.880 3.416 ( -0.000 1.796 -0.628) 1.902 3.528 ( -0.000 -4.231 -1.239) 4.409 5.642 ( -0.000 5.855 -1.009) 5.942 7.076 ( 0.000 0.753 0.108) 0.760 8.228 ( -0.000 0.241 -0.159) 0.289 8.707 ( 0.000 2.336 8.446) 8.764 9.778 ( -0.000 1.680 -8.153) 8.324 18.688 ( -0.000 1.050 -1.023) 1.466 18.937 ( 0.000 -4.121 3.421) 5.356 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 2.618 -0.000 -0.000) 2.618 1.404 ( 5.099 -0.000 -0.000) 5.099 2.171 ( 1.185 -0.000 -0.000) 1.185 3.477 ( -3.144 0.000 0.000) 3.144 3.529 ( 11.852 -0.000 -0.000) 11.852 5.638 ( -3.551 0.000 0.000) 3.551 7.093 ( 1.463 -0.000 -0.000) 1.463 8.275 ( 5.009 -0.000 -0.000) 5.009 8.741 ( 0.736 -0.000 -0.000) 0.736 9.738 ( -3.770 0.000 0.000) 3.770 18.678 ( -1.508 0.000 0.000) 1.508 18.926 ( 0.407 -0.000 -0.000) 0.407 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.083 ( 0.000 -0.000 7.993) 7.993 0.083 ( 0.000 -0.000 7.993) 7.993 0.567 ( 0.000 -0.000 53.572) 53.572 2.722 ( -0.000 0.000 -6.504) 6.504 2.722 ( -0.000 0.000 -6.504) 6.504 5.940 ( -0.000 0.000 -5.018) 5.018 6.947 ( -0.000 0.000 -2.083) 2.083 6.947 ( -0.000 0.000 -2.083) 2.083 8.027 ( 0.000 -0.000 2.846) 2.846 8.027 ( 0.000 -0.000 2.846) 2.846 19.482 ( -0.000 0.000 -0.863) 0.863 21.365 ( 0.000 -0.000 0.820) 0.820 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( 13.857 8.000 5.640) 16.966 0.499 ( 14.225 8.213 11.352) 19.967 0.883 ( 12.597 7.273 40.014) 42.576 2.662 ( -0.856 -0.494 -11.340) 11.383 2.901 ( 12.756 7.365 -9.939) 17.769 5.286 ( -18.783 -10.844 20.564) 29.887 6.966 ( 1.338 0.772 -1.443) 2.114 7.016 ( 2.900 1.674 3.571) 4.896 8.041 ( 0.660 0.381 3.121) 3.213 9.535 ( 53.301 30.773 -90.281) 109.265 19.215 ( -26.424 -15.256 20.363) 36.683 19.947 ( -38.479 -22.216 83.112) 94.243 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 13.833 7.987 7.618) 17.697 0.809 ( 9.420 5.438 19.619) 22.432 1.319 ( 12.843 7.415 25.494) 29.493 2.607 ( 0.277 0.160 -15.070) 15.073 3.266 ( 21.668 12.510 -7.642) 26.162 4.995 ( -12.986 -7.497 7.698) 16.855 6.994 ( 1.291 0.745 -1.248) 1.944 7.120 ( 4.530 2.615 5.936) 7.912 8.082 ( 1.925 1.111 3.384) 4.048 10.053 ( 20.263 11.699 -54.369) 59.190 18.793 ( -14.218 -8.209 19.731) 25.668 19.694 ( -11.847 -6.840 40.275) 42.534 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 12.275 7.087 10.074) 17.390 1.100 ( 10.448 6.032 13.813) 18.340 1.633 ( 7.306 4.218 23.411) 24.885 2.575 ( 2.018 1.165 -17.384) 17.540 3.836 ( 28.443 16.421 -5.836) 33.357 4.698 ( -14.181 -8.187 1.311) 16.427 7.013 ( 0.697 0.403 -1.250) 1.487 7.259 ( 5.214 3.010 7.819) 9.868 8.154 ( 3.228 1.864 3.443) 5.075 10.242 ( 10.652 6.150 -34.856) 36.963 18.635 ( -4.528 -2.614 7.064) 8.788 19.563 ( -10.295 -5.944 29.549) 31.850 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 9.054 5.227 11.173) 15.301 1.374 ( 9.998 5.772 2.912) 11.907 1.861 ( 5.770 3.332 26.177) 27.012 2.586 ( 4.243 2.449 -17.340) 18.018 4.345 ( -15.746 -9.091 -3.387) 18.494 4.499 ( 29.137 16.822 -4.500) 33.944 7.016 ( -0.046 -0.027 -1.036) 1.038 7.409 ( 4.893 2.825 9.236) 10.827 8.252 ( 4.056 2.342 2.977) 5.550 10.333 ( 6.327 3.653 -23.591) 24.697 18.596 ( -0.681 -0.393 1.219) 1.451 19.425 ( -9.325 -5.384 22.532) 24.973 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 4.933 2.848 9.022) 10.669 1.565 ( 6.581 3.799 -4.250) 8.706 2.115 ( 8.377 4.837 25.471) 27.246 2.653 ( 6.056 3.496 -13.406) 15.120 3.948 ( -16.682 -9.631 -6.537) 20.342 5.120 ( 24.875 14.362 -3.996) 29.000 7.006 ( -0.543 -0.314 -0.490) 0.796 7.545 ( 3.801 2.195 9.717) 10.662 8.356 ( 3.948 2.279 1.885) 4.932 10.379 ( 3.734 2.156 -15.844) 16.421 18.593 ( 0.036 0.021 -0.563) 0.564 19.297 ( -7.194 -4.154 15.625) 17.696 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 1.539 0.888 4.037) 4.410 1.662 ( 3.483 2.011 -4.718) 6.199 2.414 ( 10.159 5.865 17.610) 21.159 2.762 ( 5.994 3.461 -6.144) 9.255 3.538 ( -15.885 -9.171 -7.875) 19.962 5.598 ( 16.875 9.743 -3.195) 19.745 6.991 ( -0.600 -0.346 0.198) 0.720 7.646 ( 1.979 1.143 8.885) 9.174 8.440 ( 2.762 1.594 0.340) 3.207 10.402 ( 2.305 1.331 -9.870) 10.222 18.587 ( -0.410 -0.237 -0.412) 0.628 19.203 ( -4.632 -2.674 8.471) 10.018 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -0.647 -0.374 -1.100) 1.330 1.706 ( 1.725 0.996 -3.730) 4.229 2.633 ( 2.077 1.199 1.453) 2.804 2.873 ( 3.917 2.261 1.575) 4.789 3.226 ( -5.898 -3.405 -0.642) 6.841 5.864 ( 6.488 3.746 -2.043) 7.765 6.982 ( -0.259 -0.150 0.774) 0.830 7.692 ( -0.543 -0.314 6.993) 7.021 8.480 ( 0.762 0.440 -1.336) 1.600 10.425 ( 2.018 1.165 -5.130) 5.635 18.577 ( -0.197 -0.114 0.191) 0.297 19.135 ( -2.986 -1.724 1.839) 3.907 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -2.322 -1.341 -4.852) 5.543 1.720 ( 0.620 0.358 -3.209) 3.288 2.429 ( -13.955 -8.057 -13.578) 21.072 2.947 ( 0.931 0.538 7.865) 7.938 3.349 ( 11.448 6.610 7.873) 15.386 5.877 ( -4.939 -2.852 -1.060) 5.801 6.986 ( 0.244 0.141 1.063) 1.100 7.670 ( -3.070 -1.773 5.233) 6.321 8.464 ( -1.469 -0.848 -2.765) 3.244 10.464 ( 2.349 1.356 -1.685) 3.193 18.587 ( 0.907 0.524 1.118) 1.532 19.070 ( -2.278 -1.315 -3.980) 4.771 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -4.162 -2.403 -6.911) 8.418 1.711 ( -0.354 -0.204 -4.902) 4.919 2.016 ( -16.524 -9.540 -13.275) 23.244 2.971 ( -1.807 -1.043 12.002) 12.182 3.686 ( 14.614 8.437 5.387) 17.713 5.630 ( -15.842 -9.146 -0.914) 18.316 6.999 ( 0.572 0.330 0.931) 1.142 7.595 ( -4.735 -2.734 4.698) 7.208 8.396 ( -3.247 -1.874 -3.549) 5.162 10.519 ( 2.452 1.416 0.374) 2.856 18.625 ( 1.507 0.870 3.433) 3.849 19.004 ( -1.111 -0.641 -9.608) 9.693 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -6.449 -3.723 -7.262) 10.401 1.549 ( -13.868 -8.007 -24.330) 29.127 1.704 ( -4.631 -2.674 7.281) 9.034 2.952 ( -3.484 -2.011 13.622) 14.203 4.044 ( 14.692 8.482 2.830) 17.199 5.153 ( -24.194 -13.968 -1.643) 27.985 7.014 ( 0.439 0.254 0.239) 0.561 7.490 ( -5.701 -3.292 5.217) 8.400 8.297 ( -4.050 -2.338 -3.359) 5.758 10.575 ( 2.065 1.192 1.193) 2.666 18.657 ( -0.875 -0.505 5.819) 5.906 18.975 ( 2.781 1.606 -13.382) 13.762 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -15.460 -8.926 -18.077) 25.406 1.167 ( -8.978 -5.184 -6.088) 12.023 1.627 ( -4.914 -2.837 4.598) 7.303 2.911 ( -3.859 -2.228 12.646) 13.408 4.366 ( 8.870 5.121 -0.090) 10.242 4.539 ( -23.843 -13.766 -1.716) 27.585 7.017 ( -0.144 -0.083 -1.004) 1.018 7.369 ( -6.363 -3.674 5.913) 9.431 8.194 ( -3.778 -2.181 -2.127) 4.853 10.620 ( 1.511 0.872 0.606) 1.847 18.612 ( -3.818 -2.204 2.226) 4.939 19.051 ( 6.641 3.834 -8.816) 11.684 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -14.071 -8.124 -10.745) 19.479 0.914 ( -11.206 -6.470 -3.984) 13.539 1.483 ( -9.584 -5.533 5.740) 12.466 2.866 ( -3.343 -1.930 9.424) 10.185 3.841 ( -26.900 -15.531 -5.774) 31.594 4.684 ( 11.036 6.371 1.695) 12.855 7.000 ( -0.739 -0.427 -2.354) 2.504 7.238 ( -6.547 -3.780 6.157) 9.750 8.112 ( -2.843 -1.642 -0.291) 3.296 10.646 ( 1.037 0.599 -3.428) 3.631 18.519 ( -4.158 -2.401 0.453) 4.823 19.198 ( 7.139 4.122 -1.562) 8.390 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( -10.420 -6.016 7.651) 14.259 0.624 ( -12.726 -7.347 -1.796) 14.804 1.192 ( -18.010 -10.398 8.181) 22.348 2.822 ( -2.592 -1.496 4.630) 5.513 3.271 ( -19.046 -10.996 -8.328) 23.516 4.918 ( 8.270 4.775 4.561) 10.583 6.972 ( -0.784 -0.453 -3.075) 3.206 7.114 ( -5.777 -3.335 5.830) 8.859 8.060 ( -1.849 -1.068 1.369) 2.536 10.622 ( -0.766 -0.442 -21.047) 21.066 18.458 ( -1.609 -0.929 14.410) 14.529 19.358 ( 5.780 3.337 6.117) 9.053 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( 0.000 14.676 3.393) 15.063 0.550 ( 0.000 16.655 12.945) 21.094 1.055 ( 0.000 13.653 43.343) 45.442 2.731 ( -0.000 4.099 -7.506) 8.553 2.758 ( -0.000 10.475 -16.674) 19.691 5.366 ( 0.000 -22.156 16.472) 27.608 6.913 ( -0.000 -0.240 -3.774) 3.782 7.083 ( 0.000 7.033 6.039) 9.270 8.069 ( 0.000 1.142 4.230) 4.382 9.218 ( -0.000 60.238 -75.117) 96.287 19.262 ( 0.000 -22.864 7.979) 24.216 20.224 ( 0.000 -52.482 74.506) 91.135 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 12.204 12.166 5.365) 18.048 0.790 ( 5.683 8.020 18.257) 20.734 1.390 ( 4.603 14.357 34.263) 37.433 2.643 ( -5.710 7.370 -13.969) 16.795 3.031 ( 16.422 14.061 -11.790) 24.625 5.128 ( -9.542 -13.437 8.910) 18.735 6.933 ( 3.206 -0.526 -3.072) 4.471 7.181 ( -0.502 8.646 8.696) 12.273 8.094 ( 0.149 1.765 4.062) 4.432 9.661 ( 19.100 27.126 -60.376) 68.890 18.958 ( -10.549 -18.048 14.157) 25.248 19.943 ( -10.856 -19.881 50.012) 54.902 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 11.329 9.805 10.777) 18.456 1.035 ( 8.763 5.150 13.396) 16.815 1.694 ( 3.906 8.855 28.158) 29.774 2.593 ( -3.900 10.080 -16.108) 19.398 3.521 ( 24.233 18.717 -8.768) 31.850 4.835 ( -11.973 -11.730 2.655) 16.970 6.977 ( 3.005 0.006 -2.490) 3.903 7.302 ( 0.294 8.632 10.773) 13.808 8.146 ( 1.823 2.373 3.798) 4.835 9.960 ( 14.593 11.598 -43.304) 47.145 18.719 ( -6.606 -7.472 8.639) 13.195 19.763 ( -9.452 -12.346 34.682) 38.008 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 8.889 3.307 12.119) 15.389 1.305 ( 9.670 7.482 6.061) 13.646 1.915 ( 3.525 4.764 25.175) 25.863 2.604 ( -2.445 14.580 -15.557) 21.461 4.149 ( 27.856 18.647 -6.914) 34.227 4.492 ( -13.739 -11.687 -1.527) 18.102 7.014 ( 1.368 1.342 -2.190) 2.911 7.435 ( 1.130 6.871 12.578) 14.377 8.230 ( 3.080 3.097 3.195) 5.411 10.128 ( 10.598 5.103 -30.813) 32.982 18.619 ( -2.323 -2.167 3.205) 4.513 19.593 ( -9.004 -10.403 25.602) 29.065 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 7.794 2.038 1.658) 8.225 1.524 ( 5.946 3.698 7.399) 10.187 2.112 ( 5.820 2.772 21.707) 22.644 2.696 ( -1.456 19.433 -10.838) 22.299 4.096 ( -15.138 -11.919 -6.389) 20.299 4.797 ( 26.835 15.607 -4.314) 31.342 7.035 ( -0.568 2.925 -1.667) 3.414 7.561 ( 1.493 4.181 13.516) 14.226 8.331 ( 3.351 3.709 2.036) 5.398 10.229 ( 7.842 1.641 -21.634) 23.069 18.594 ( -0.405 -0.416 0.609) 0.841 19.425 ( -7.755 -8.640 18.035) 21.449 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 5.220 0.479 -3.227) 6.156 1.640 ( 2.594 1.235 3.859) 4.811 2.333 ( 9.030 1.959 15.575) 18.110 2.855 ( -1.760 21.775 -3.732) 22.162 3.683 ( -15.514 -11.096 -7.969) 20.672 5.345 ( 21.810 10.403 -3.760) 24.455 7.044 ( -2.109 4.409 -0.885) 4.967 7.659 ( 1.143 1.174 13.158) 13.259 8.426 ( 2.383 3.908 0.434) 4.598 10.291 ( 6.008 -0.425 -14.475) 15.678 18.587 ( -0.218 -0.500 -0.016) 0.546 19.282 ( -5.630 -6.419 10.771) 13.745 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 2.306 -1.766 -3.913) 4.873 1.685 ( 1.050 1.384 -1.106) 2.060 2.543 ( 7.627 -0.148 5.769) 9.564 3.026 ( -3.870 21.392 1.415) 21.785 3.312 ( -11.171 -8.034 -4.351) 14.432 5.718 ( 13.457 4.044 -3.048) 14.378 7.047 ( -3.006 5.607 -0.108) 6.362 7.710 ( -0.023 -1.731 11.639) 11.767 8.487 ( 0.354 3.466 -1.321) 3.726 10.336 ( 5.167 -1.414 -8.845) 10.341 18.576 ( -0.172 -0.826 0.251) 0.880 19.174 ( -3.738 -4.435 4.037) 7.067 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -0.406 -2.749 -5.300) 5.984 1.705 ( 0.555 1.347 -3.419) 3.716 2.509 ( -8.134 -6.915 -8.893) 13.895 3.098 ( -5.527 12.532 3.111) 14.046 3.277 ( 5.403 6.906 8.241) 12.033 5.860 ( 2.956 -2.722 -2.382) 4.671 7.053 ( -3.297 6.319 0.380) 7.138 7.704 ( -1.728 -3.969 9.872) 10.779 8.495 ( -2.096 2.393 -2.845) 4.268 10.386 ( 5.115 -1.530 -4.853) 7.215 18.575 ( 0.839 -0.373 0.862) 1.259 19.083 ( -2.896 -3.318 -1.576) 4.677 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -2.539 -3.414 -7.001) 8.192 1.703 ( -0.538 1.163 -5.701) 5.843 2.173 ( -15.323 -7.558 -9.719) 19.656 3.147 ( -6.614 11.412 8.735) 15.820 3.539 ( 12.269 7.381 5.908) 15.489 5.745 ( -8.349 -9.036 -2.213) 12.500 7.061 ( -3.210 6.296 0.353) 7.076 7.646 ( -3.232 -5.038 8.946) 10.764 8.445 ( -4.138 1.091 -3.697) 5.655 10.449 ( 5.114 -1.216 -2.758) 5.936 18.610 ( 2.342 0.684 2.497) 3.491 18.991 ( -2.544 -2.798 -6.299) 7.347 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -5.129 -5.328 -8.593) 11.337 1.639 ( -6.660 1.603 -16.511) 17.876 1.832 ( -12.009 -5.250 4.531) 13.868 3.145 ( -9.140 8.771 10.878) 16.698 3.867 ( 14.969 6.527 2.965) 16.598 5.383 ( -18.588 -13.633 -2.700) 23.209 7.067 ( -3.029 5.372 -0.320) 6.176 7.559 ( -4.330 -5.165 8.992) 11.238 8.355 ( -5.187 0.133 -3.540) 6.281 10.516 ( 4.601 -0.802 -2.539) 5.316 18.679 ( 1.746 1.142 6.515) 6.840 18.905 ( -0.226 -1.799 -11.014) 11.162 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -9.747 -7.994 -10.377) 16.327 1.388 ( -14.742 2.890 -12.063) 19.266 1.704 ( -4.618 -2.730 8.339) 9.916 3.088 ( -9.664 5.550 10.260) 15.148 4.199 ( 14.958 5.406 1.240) 15.953 4.832 ( -25.669 -15.203 -3.599) 30.050 7.058 ( -2.912 3.724 -1.551) 4.975 7.456 ( -5.376 -4.905 9.271) 11.786 8.252 ( -5.100 -0.199 -2.318) 5.605 10.571 ( 3.589 -0.314 -4.278) 5.593 18.677 ( -4.237 -1.202 3.629) 5.707 18.932 ( 7.098 1.655 -5.889) 9.370 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -12.923 -5.816 -4.245) 14.793 1.130 ( -15.206 2.715 -4.977) 16.228 1.609 ( -6.873 -3.339 8.208) 11.214 2.998 ( -8.357 2.050 6.822) 10.981 4.168 ( -28.163 -11.965 -5.839) 31.151 4.524 ( 13.174 3.095 1.924) 13.668 7.029 ( -2.728 2.025 -2.823) 4.417 7.339 ( -6.308 -4.420 9.082) 11.909 8.164 ( -4.192 -0.151 -0.459) 4.219 10.598 ( 2.102 0.211 -9.380) 9.615 18.583 ( -4.814 -1.465 1.181) 5.168 19.095 ( 8.699 2.558 3.372) 9.674 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -11.376 -1.242 12.198) 16.726 0.867 ( -16.582 2.007 -0.857) 16.725 1.431 ( -13.204 -4.797 10.287) 17.412 2.887 ( -5.856 -2.053 0.514) 6.226 3.562 ( -26.609 -5.119 -7.051) 27.999 4.786 ( 12.236 1.700 3.861) 12.943 6.990 ( -2.185 1.198 -3.351) 4.176 7.214 ( -6.597 -3.634 8.157) 11.102 8.101 ( -3.024 -0.232 1.261) 3.284 10.561 ( -1.344 0.477 -23.062) 23.106 18.524 ( -1.637 -0.403 10.084) 10.224 19.293 ( 8.186 1.892 11.716) 14.417 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 0.000 13.744 4.390) 14.428 0.893 ( 0.000 5.962 21.796) 22.596 1.620 ( 0.000 13.223 31.468) 34.133 2.784 ( -0.000 6.730 -8.286) 10.675 2.972 ( -0.000 24.591 -17.400) 30.124 5.088 ( 0.000 -15.754 6.115) 16.899 6.893 ( -0.000 0.980 -3.665) 3.794 7.324 ( 0.000 10.432 12.093) 15.971 8.123 ( 0.000 1.101 3.987) 4.136 9.582 ( -0.000 27.215 -54.925) 61.298 18.899 ( 0.000 -17.347 10.468) 20.261 19.979 ( 0.000 -22.028 43.794) 49.022 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 10.607 11.095 5.239) 16.219 1.041 ( 3.079 2.996 20.613) 21.056 1.837 ( 1.066 7.605 25.599) 26.726 2.764 ( -5.658 12.906 -11.185) 17.991 3.353 ( 15.205 26.884 -11.136) 32.832 4.880 ( -7.082 -15.067 2.152) 16.787 6.918 ( 2.578 1.238 -2.912) 4.082 7.467 ( -1.601 11.486 14.166) 18.307 8.155 ( 1.067 1.489 3.574) 4.016 9.725 ( 9.354 16.466 -45.549) 49.329 18.749 ( -3.615 -10.020 7.280) 12.902 19.862 ( -5.178 -17.870 34.362) 39.076 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 6.839 2.742 9.140) 11.740 1.226 ( 9.924 6.051 11.934) 16.659 1.994 ( 1.636 3.500 20.302) 20.667 2.804 ( -3.774 19.302 -10.636) 22.359 3.901 ( 20.629 24.275 -7.327) 32.689 4.573 ( -10.784 -14.097 -1.344) 17.799 6.977 ( 3.209 1.690 -2.295) 4.292 7.595 ( -2.734 11.011 15.498) 19.207 8.220 ( 2.736 2.444 3.195) 4.865 9.884 ( 10.636 8.119 -35.650) 38.078 18.645 ( -2.467 -3.911 3.720) 5.934 19.695 ( -6.814 -15.290 26.232) 31.118 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 6.787 0.548 4.909) 8.394 1.468 ( 7.558 3.294 7.877) 11.402 2.123 ( 3.222 1.800 16.235) 16.649 2.945 ( -2.433 25.038 -7.092) 26.137 4.178 ( -10.612 -12.857 -7.473) 18.269 4.520 ( 20.740 18.135 -2.603) 27.673 7.042 ( 2.453 2.850 -2.164) 4.339 7.699 ( -3.485 8.922 16.635) 19.195 8.318 ( 3.609 3.631 2.385) 5.648 10.006 ( 9.743 2.720 -26.767) 28.615 18.602 ( -0.948 -1.015 1.329) 1.922 19.510 ( -6.828 -13.027 19.032) 24.053 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 5.974 -0.581 -1.266) 6.134 1.609 ( 3.936 0.912 4.747) 6.233 2.269 ( 5.958 1.385 12.868) 14.248 3.153 ( -2.888 27.597 -2.373) 27.849 3.795 ( -13.814 -12.016 -8.296) 20.101 5.053 ( 21.906 12.069 -3.349) 25.234 7.102 ( 0.936 4.613 -2.301) 5.239 7.767 ( -4.059 5.669 17.309) 18.661 8.427 ( 3.122 4.649 0.987) 5.686 10.093 ( 8.592 -0.926 -19.136) 20.997 18.588 ( -0.482 -0.566 0.359) 0.826 19.338 ( -5.568 -10.214 12.175) 16.839 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 3.996 -1.898 -4.569) 6.359 1.672 ( 1.683 0.619 1.190) 2.152 2.437 ( 7.249 0.542 7.267) 10.279 3.344 ( -5.146 13.655 3.442) 14.992 3.443 ( -12.619 5.059 -8.939) 16.271 5.472 ( 17.463 4.368 -3.397) 18.319 7.151 ( -0.818 6.585 -2.545) 7.107 7.790 ( -4.592 1.889 17.144) 17.849 8.516 ( 1.197 4.952 -0.746) 5.149 10.159 ( 7.900 -3.137 -12.788) 15.356 18.572 ( -0.470 -1.074 0.381) 1.233 19.200 ( -3.895 -7.242 5.743) 10.030 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 1.592 -2.860 -6.082) 6.907 1.700 ( 0.665 1.034 -1.292) 1.783 2.513 ( -0.741 -3.352 -3.265) 4.738 3.183 ( -2.204 -3.494 1.458) 4.381 3.543 ( -8.454 26.797 3.168) 28.277 5.708 ( 9.741 -2.958 -3.337) 10.713 7.187 ( -2.467 8.193 -2.908) 9.037 7.765 ( -5.034 -1.653 16.307) 17.146 8.554 ( -1.601 4.221 -2.380) 5.103 10.223 ( 7.793 -3.848 -7.987) 11.804 18.559 ( 0.338 -1.037 0.797) 1.351 19.091 ( -2.973 -5.033 0.448) 5.862 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -0.845 -3.227 -7.028) 7.780 1.708 ( -0.200 1.275 -3.214) 3.464 2.315 ( -11.721 -5.584 -7.274) 14.882 3.268 ( 7.669 3.238 4.531) 9.478 3.649 ( -8.769 21.526 5.584) 23.905 5.720 ( -0.245 -9.038 -3.260) 9.611 7.207 ( -3.825 8.812 -3.444) 10.205 7.701 ( -5.087 -4.246 15.324) 16.696 8.528 ( -4.200 2.828 -3.324) 6.057 10.299 ( 7.730 -3.335 -5.180) 9.885 18.579 ( 2.245 -0.067 1.631) 2.775 18.990 ( -3.034 -3.783 -3.285) 5.857 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -3.858 -3.427 -7.451) 9.063 1.690 ( -2.157 1.924 -6.926) 7.505 2.020 ( -13.501 -3.938 -0.783) 14.085 3.428 ( -1.514 8.829 5.372) 10.445 3.754 ( 2.082 11.496 3.950) 12.333 5.499 ( -10.902 -12.674 -3.294) 17.039 7.204 ( -4.793 8.016 -4.113) 10.206 7.617 ( -4.736 -5.636 14.404) 16.177 8.449 ( -5.760 1.609 -3.163) 6.766 10.385 ( 7.085 -2.171 -4.537) 8.689 18.653 ( 4.514 1.287 3.719) 5.989 18.884 ( -3.431 -3.065 -5.826) 7.424 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -8.039 -2.865 -5.938) 10.397 1.594 ( -8.843 3.739 -12.128) 15.468 1.809 ( -7.861 -3.132 10.179) 13.237 3.401 ( -12.681 8.567 5.891) 16.399 3.991 ( 13.427 4.496 0.822) 14.184 5.083 ( -20.201 -12.367 -3.379) 23.926 7.171 ( -5.221 5.857 -4.673) 9.132 7.525 ( -4.627 -5.943 13.249) 15.240 8.348 ( -6.099 1.013 -1.976) 6.491 10.465 ( 5.689 -0.763 -6.021) 8.319 18.756 ( -3.804 -0.065 4.255) 5.708 18.801 ( 6.596 -0.079 -3.965) 7.697 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -11.458 -0.077 0.709) 11.480 1.401 ( -13.191 4.176 -6.527) 15.299 1.714 ( -5.278 -2.817 10.840) 12.382 3.232 ( -13.727 1.689 2.064) 13.984 4.280 ( 14.780 2.238 -0.178) 14.949 4.558 ( -25.992 -7.226 -3.080) 27.154 7.111 ( -4.855 3.206 -4.679) 7.466 7.427 ( -5.188 -5.265 11.566) 13.727 8.251 ( -5.506 0.762 -0.294) 5.566 10.518 ( 3.507 0.630 -10.189) 10.794 18.654 ( -4.607 -1.113 -2.465) 5.342 18.980 ( 8.993 1.888 8.734) 12.677 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -11.492 3.955 12.304) 17.294 1.179 ( -15.371 3.511 -0.433) 15.773 1.614 ( -7.940 -2.776 11.691) 14.403 2.988 ( -10.857 -5.267 -5.222) 13.149 4.026 ( -29.081 3.009 -3.490) 29.444 4.560 ( 14.935 -0.873 1.329) 15.019 7.043 ( -3.597 1.550 -3.777) 5.441 7.319 ( -6.071 -3.904 9.390) 11.843 8.171 ( -4.471 0.430 1.255) 4.663 10.514 ( -0.169 1.821 -18.998) 19.085 18.579 ( -2.504 -0.319 2.254) 3.384 19.199 ( 9.433 1.002 15.533) 18.200 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 0.000 10.619 5.119) 11.789 1.106 ( 0.000 0.498 20.389) 20.395 1.969 ( 0.000 4.115 20.260) 20.673 2.887 ( -0.000 9.269 -8.485) 12.566 3.516 ( -0.000 36.741 -9.367) 37.916 4.786 ( 0.000 -16.450 0.220) 16.452 6.903 ( -0.000 2.191 -2.590) 3.392 7.661 ( 0.000 12.455 17.245) 21.272 8.166 ( 0.000 0.724 2.937) 3.025 9.655 ( -0.000 15.420 -42.854) 45.544 18.707 ( 0.000 -7.839 5.271) 9.446 19.829 ( 0.000 -19.300 29.963) 35.640 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 7.753 7.183 4.510) 11.491 1.194 ( 3.364 -0.791 17.310) 17.651 2.065 ( 0.584 1.854 15.822) 15.941 2.966 ( 0.918 13.267 -8.321) 15.688 3.921 ( 7.232 32.170 -6.123) 33.536 4.568 ( -5.754 -14.365 -1.782) 15.577 6.940 ( 2.199 2.456 -1.881) 3.796 7.827 ( -2.680 12.492 18.548) 22.523 8.203 ( 2.331 1.104 2.790) 3.799 9.703 ( 5.758 10.584 -37.175) 39.079 18.649 ( -1.198 -3.883 3.171) 5.154 19.702 ( -3.306 -18.357 24.292) 30.627 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 4.714 -1.094 7.136) 8.623 1.383 ( 8.738 2.864 8.013) 12.197 2.146 ( 1.633 0.820 12.669) 12.800 3.145 ( 3.822 19.034 -6.607) 20.508 4.153 ( -3.725 -8.675 -7.658) 12.156 4.483 ( 5.476 19.922 -0.942) 20.682 7.009 ( 3.247 2.657 -1.413) 4.427 7.947 ( -4.982 11.642 18.379) 22.319 8.289 ( 4.207 2.382 3.109) 5.748 9.786 ( 7.822 5.254 -30.225) 31.660 18.614 ( -0.977 -1.104 1.443) 2.063 19.529 ( -4.695 -16.318 18.425) 25.056 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 5.403 -2.185 1.752) 6.086 1.552 ( 5.699 0.910 5.034) 7.658 2.237 ( 3.645 0.357 10.394) 11.021 3.412 ( 3.257 22.614 -2.854) 23.025 3.854 ( -9.797 -12.132 -8.790) 17.900 4.867 ( 12.992 16.996 -1.953) 21.481 7.091 ( 3.318 3.089 -1.506) 4.777 8.016 ( -6.994 10.057 18.342) 22.057 8.410 ( 4.509 4.012 2.503) 6.533 9.862 ( 8.306 0.390 -23.185) 24.631 18.596 ( -0.843 -0.300 0.492) 1.021 19.352 ( -4.503 -13.289 12.538) 18.817 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 4.849 -2.678 -2.827) 6.219 1.643 ( 2.962 0.296 2.321) 3.775 2.352 ( 5.677 -0.178 7.102) 9.094 3.461 ( -9.683 -8.844 -2.270) 13.309 3.756 ( -1.303 25.828 -5.419) 26.422 5.220 ( 14.405 6.254 -2.733) 15.940 7.172 ( 2.754 3.720 -2.197) 5.124 8.032 ( -9.050 7.855 18.511) 22.051 8.531 ( 2.981 5.153 0.873) 6.017 9.924 ( 8.722 -3.386 -16.654) 19.102 18.576 ( -1.017 -0.781 0.386) 1.339 19.201 ( -3.377 -9.641 6.811) 12.277 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 3.215 -2.794 -5.235) 6.749 1.688 ( 1.422 0.496 0.257) 1.528 2.454 ( 3.867 -1.453 0.866) 4.221 3.209 ( -6.570 -6.749 -0.749) 9.449 3.976 ( -6.070 29.113 -0.063) 29.739 5.461 ( 12.457 -3.327 -3.403) 13.335 7.244 ( 1.757 4.393 -3.403) 5.828 7.988 ( -10.760 4.975 18.339) 21.837 8.610 ( -0.071 4.924 -1.090) 5.044 9.990 ( 9.547 -5.058 -11.025) 15.437 18.552 ( -0.577 -1.155 0.722) 1.479 19.086 ( -2.484 -6.355 1.971) 7.102 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 1.015 -2.356 -5.812) 6.353 1.709 ( 0.463 0.778 -1.291) 1.577 2.408 ( -5.921 -3.100 -4.538) 8.079 3.159 ( 5.241 -1.430 3.224) 6.317 4.107 ( -11.661 26.149 2.541) 28.743 5.553 ( 6.871 -9.662 -3.629) 12.399 7.295 ( 0.337 5.031 -4.941) 7.059 7.889 ( -11.324 1.233 17.625) 20.986 8.616 ( -3.268 3.474 -2.364) 5.324 10.082 ( 10.053 -4.306 -7.025) 12.998 18.549 ( 1.128 -0.697 1.090) 1.716 18.993 ( -2.530 -3.995 -1.101) 4.855 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -1.645 -1.268 -4.919) 5.339 1.711 ( -0.584 1.149 -3.067) 3.326 2.205 ( -11.460 -2.085 -1.809) 11.787 3.330 ( 11.906 0.668 2.258) 12.136 4.108 ( -15.221 18.814 3.186) 24.409 5.479 ( -1.805 -11.103 -3.271) 11.715 7.319 ( -1.674 5.727 -6.662) 8.943 7.750 ( -9.952 -3.295 16.607) 19.639 8.558 ( -5.414 2.114 -2.190) 6.210 10.200 ( 9.445 -2.222 -5.289) 11.051 18.592 ( 3.760 0.018 1.292) 3.976 18.906 ( -3.287 -2.129 -1.779) 4.301 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -4.879 0.700 -2.142) 5.375 1.685 ( -2.734 2.137 -6.216) 7.119 1.990 ( -11.467 -1.133 5.632) 12.825 3.543 ( 8.046 1.148 1.144) 8.208 3.999 ( -10.948 7.240 0.839) 13.152 5.257 ( -11.779 -6.727 -2.377) 13.771 7.299 ( -4.474 5.910 -8.209) 11.060 7.605 ( -6.713 -7.172 15.648) 18.476 8.465 ( -6.367 1.470 -0.950) 6.603 10.321 ( 7.765 0.004 -5.826) 9.707 18.679 ( 5.594 -0.774 -1.773) 5.919 18.834 ( -3.227 0.659 3.288) 4.654 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -8.048 3.697 3.251) 9.434 1.601 ( -7.504 3.800 -8.296) 11.814 1.839 ( -7.863 -1.938 13.339) 15.604 3.481 ( -13.809 -3.540 -1.282) 14.313 4.033 ( 11.880 -0.963 -2.021) 12.089 4.938 ( -20.647 1.814 -1.446) 20.777 7.221 ( -6.320 3.168 -7.320) 10.177 7.492 ( -4.081 -6.724 13.178) 15.347 8.365 ( -6.385 1.123 0.500) 6.502 10.420 ( 5.227 1.801 -8.657) 10.271 18.681 ( -1.212 -1.697 -6.713) 7.029 18.907 ( 5.412 2.612 12.879) 14.212 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -9.642 6.834 10.308) 15.683 1.449 ( -11.684 3.816 -3.124) 12.683 1.752 ( -6.136 -2.195 15.439) 16.758 3.119 ( -15.336 -9.810 -7.976) 19.876 4.267 ( 16.196 -3.047 -1.539) 16.552 4.577 ( -26.641 9.972 -1.642) 28.493 7.113 ( -4.915 -0.071 -4.328) 6.549 7.409 ( -4.524 -3.452 9.704) 11.250 8.272 ( -5.724 0.829 1.714) 6.032 10.467 ( 1.622 2.960 -14.353) 14.744 18.617 ( -2.231 -0.396 -2.974) 3.739 19.105 ( 8.596 0.998 16.795) 18.893 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.000 6.680 4.746) 8.194 1.201 ( 0.000 -3.250 15.218) 15.561 2.122 ( 0.000 0.593 12.520) 12.534 3.031 ( -0.000 10.557 -8.010) 13.252 4.145 ( -0.000 18.809 -5.474) 19.590 4.509 ( -0.000 -0.134 -1.616) 1.621 6.942 ( -0.000 2.913 -1.394) 3.230 8.049 ( 0.000 12.213 21.147) 24.420 8.194 ( 0.000 0.439 1.954) 2.003 9.635 ( -0.000 10.518 -35.327) 36.860 18.636 ( 0.000 -2.210 2.148) 3.082 19.619 ( 0.000 -19.030 20.775) 28.173 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 1.922 -2.790 8.715) 9.351 1.293 ( 7.071 2.578 6.931) 10.232 2.168 ( 0.719 -0.253 9.943) 9.972 3.169 ( 6.386 12.064 -7.241) 15.452 4.094 ( -3.691 -12.750 -6.263) 14.677 4.678 ( 0.454 27.232 -1.027) 27.255 6.986 ( 1.967 2.900 -0.874) 3.612 8.192 ( -2.227 7.785 12.301) 14.727 8.260 ( 2.634 4.454 10.935) 12.098 9.647 ( 3.343 7.947 -30.828) 32.010 18.624 ( -0.556 -0.430 1.057) 1.269 19.477 ( -2.139 -17.757 16.534) 24.357 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 3.734 -4.027 4.593) 7.159 1.465 ( 7.220 1.099 4.834) 8.758 2.217 ( 2.089 -0.777 7.987) 8.292 3.445 ( 11.675 14.456 -4.917) 19.221 3.834 ( -6.579 -13.466 -7.297) 16.669 4.950 ( 1.355 22.514 -1.097) 22.581 7.057 ( 3.133 2.632 -0.592) 4.134 8.267 ( -1.614 6.724 9.116) 11.442 8.397 ( 1.822 6.037 12.918) 14.375 9.679 ( 4.596 3.610 -25.073) 25.745 18.613 ( -0.941 0.301 0.268) 1.023 19.316 ( -2.858 -14.956 11.951) 19.356 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 4.677 -3.829 0.046) 6.045 1.589 ( 4.694 0.171 2.913) 5.527 2.285 ( 3.930 -1.141 5.947) 7.219 3.517 ( -8.642 -9.944 -3.063) 13.526 3.857 ( 13.259 17.617 -6.238) 22.914 5.153 ( 2.231 12.183 -1.394) 12.463 7.138 ( 3.532 2.295 -0.743) 4.277 8.318 ( -5.363 7.325 12.048) 15.085 8.536 ( 2.762 6.108 7.722) 10.226 9.702 ( 5.769 -1.302 -19.093) 19.988 18.595 ( -1.466 -0.095 0.089) 1.472 19.171 ( -2.393 -11.080 7.232) 13.446 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 4.374 -2.870 -2.865) 5.965 1.659 ( 2.626 0.100 1.221) 2.898 2.367 ( 4.842 -1.333 2.762) 5.731 3.265 ( -8.177 -6.968 -2.180) 10.962 4.246 ( 7.960 22.954 -2.220) 24.396 5.261 ( 4.104 -0.321 -2.045) 4.597 7.217 ( 3.363 2.038 -1.317) 4.147 8.301 ( -9.742 6.164 13.251) 17.564 8.653 ( 1.015 5.738 2.833) 6.479 9.735 ( 8.358 -4.315 -12.934) 15.992 18.563 ( -1.556 -0.742 0.393) 1.768 19.063 ( -1.640 -7.049 2.984) 7.828 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 2.930 -1.334 -3.530) 4.778 1.697 ( 1.329 0.288 -0.080) 1.362 2.418 ( 1.051 -1.193 -1.093) 1.930 3.112 ( -2.055 -3.235 0.722) 3.900 4.532 ( -4.269 25.421 0.871) 25.792 5.290 ( 7.800 -11.235 -2.949) 13.991 7.285 ( 2.740 2.074 -2.148) 4.052 8.190 ( -13.135 2.525 11.992) 17.965 8.694 ( -2.182 3.717 -0.249) 4.317 9.829 ( 10.916 -3.313 -7.390) 13.592 18.537 ( -0.448 -0.800 0.623) 1.109 18.988 ( -1.505 -3.735 0.261) 4.035 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 0.814 0.580 -2.282) 2.492 1.713 ( 0.376 0.534 -1.247) 1.408 2.354 ( -6.823 -0.004 -1.204) 6.929 3.149 ( 7.892 -1.258 1.217) 8.084 4.568 ( -15.912 15.050 1.639) 21.963 5.315 ( 7.852 -8.830 -2.529) 12.084 7.339 ( 1.627 2.740 -3.164) 4.491 7.984 ( -13.977 -3.253 9.678) 17.309 8.661 ( -4.431 1.986 -0.522) 4.884 9.986 ( 11.088 -0.292 -4.428) 11.943 18.543 ( 1.690 -0.553 0.419) 1.827 18.934 ( -1.971 -1.077 -0.176) 2.253 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -1.538 2.712 0.360) 3.139 1.712 ( -0.673 0.998 -2.725) 2.979 2.205 ( -10.740 1.495 3.171) 11.298 3.330 ( 12.929 -1.241 -0.528) 12.999 4.320 ( -18.791 -2.139 -0.622) 18.923 5.340 ( -1.356 1.993 -0.874) 2.564 7.372 ( -0.564 4.421 -5.268) 6.900 7.728 ( -11.314 -9.087 9.400) 17.289 8.586 ( -5.782 1.220 0.509) 5.931 10.162 ( 9.360 2.202 -4.207) 10.496 18.584 ( 3.631 -0.850 -0.893) 3.835 18.901 ( -2.038 1.386 2.527) 3.530 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -3.797 4.854 3.989) 7.341 1.687 ( -2.478 1.978 -4.882) 5.821 2.050 ( -11.156 1.823 10.016) 15.103 3.511 ( 6.885 -4.123 -1.627) 8.188 3.942 ( -10.890 -10.966 -4.467) 16.087 5.281 ( -11.981 9.331 -0.304) 15.189 7.338 ( -6.527 3.244 -9.436) 11.923 7.524 ( -3.714 -9.509 13.039) 16.560 8.492 ( -6.415 0.736 1.439) 6.615 10.316 ( 6.718 3.588 -6.122) 9.772 18.625 ( 2.647 -1.422 -3.722) 4.784 18.928 ( 0.812 2.975 8.725) 9.254 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -5.644 6.529 7.800) 11.633 1.624 ( -5.830 3.357 -6.105) 9.085 1.933 ( -9.379 0.955 17.793) 20.136 3.257 ( -16.612 -13.932 -6.901) 22.753 3.935 ( 15.200 -5.481 -4.589) 16.797 5.109 ( -20.464 13.440 -1.161) 24.510 7.178 ( -6.317 -3.619 -4.455) 8.535 7.475 ( -2.220 -1.584 9.020) 9.424 8.393 ( -6.245 0.540 2.067) 6.600 10.416 ( 3.319 3.962 -10.052) 11.303 18.620 ( -0.050 -0.649 -3.920) 3.973 19.050 ( 5.385 1.736 14.091) 15.185 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 0.000 -5.821 10.334) 11.861 1.272 ( 0.000 3.371 3.770) 5.058 2.185 ( 0.000 -1.121 7.667) 7.749 3.186 ( -0.000 9.745 -7.117) 12.067 3.965 ( -0.000 -14.687 -5.725) 15.763 4.954 ( -0.000 27.126 -1.067) 27.147 6.995 ( -0.000 2.931 -0.549) 2.982 8.213 ( 0.000 0.286 1.469) 1.497 8.423 ( 0.000 9.351 21.106) 23.085 9.605 ( -0.000 9.025 -27.687) 29.121 18.632 ( 0.000 0.509 0.382) 0.636 19.371 ( 0.000 -17.193 13.834) 22.067 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 1.594 -5.830 6.852) 9.137 1.371 ( 6.028 1.399 3.859) 7.292 2.203 ( 0.991 -1.618 5.938) 6.234 3.341 ( 9.603 9.520 -6.154) 14.857 3.770 ( -3.808 -12.925 -5.421) 14.524 5.188 ( -1.628 21.926 -0.956) 22.007 7.038 ( 1.751 2.531 -0.279) 3.090 8.255 ( 3.742 0.789 1.379) 4.065 8.562 ( -1.330 7.368 18.016) 19.510 9.610 ( 0.396 7.373 -21.885) 23.097 18.635 ( -0.653 0.997 -0.286) 1.225 19.239 ( -1.197 -14.864 10.630) 18.313 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 3.494 -4.908 3.204) 6.824 1.504 ( 6.266 0.133 3.072) 6.980 2.233 ( 2.417 -1.781 4.591) 5.485 3.541 ( -6.060 -8.640 -2.781) 10.914 3.673 ( 17.729 9.244 -6.465) 21.014 5.321 ( -3.998 14.622 -0.651) 15.173 7.101 ( 2.873 1.849 -0.086) 3.418 8.358 ( 5.275 1.712 1.554) 5.760 8.660 ( -1.426 6.173 13.389) 14.812 9.600 ( -0.381 3.541 -15.478) 15.882 18.624 ( -1.495 0.705 -0.554) 1.743 19.115 ( -1.299 -11.180 7.053) 13.283 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 4.626 -2.933 0.545) 5.505 1.604 ( 4.299 -0.234 1.854) 4.688 2.285 ( 3.944 -1.639 3.044) 5.245 3.333 ( -7.607 -5.341 -2.571) 9.644 4.117 ( 22.057 10.576 -3.377) 24.694 5.333 ( -6.739 6.283 -0.261) 9.217 7.171 ( 3.381 1.203 -0.034) 3.588 8.449 ( 1.063 1.910 2.784) 3.540 8.732 ( -0.736 4.628 6.420) 7.948 9.576 ( 1.369 0.227 -8.763) 8.872 18.593 ( -2.161 -0.016 -0.276) 2.179 19.024 ( -0.750 -6.895 3.461) 7.751 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 4.470 -0.415 -0.452) 4.512 1.665 ( 2.551 -0.175 0.759) 2.668 2.354 ( 4.422 -1.025 1.108) 4.673 3.164 ( -6.490 -1.974 -1.003) 6.858 4.598 ( 20.574 11.436 -1.303) 23.575 5.208 ( -9.704 -2.579 -0.017) 10.041 7.241 ( 3.445 0.927 -0.094) 3.569 8.415 ( -7.477 -0.655 2.749) 7.994 8.759 ( -1.109 1.414 0.199) 1.808 9.630 ( 6.779 1.173 -2.415) 7.292 18.553 ( -1.861 -0.401 0.047) 1.905 18.972 ( -0.419 -3.061 0.843) 3.202 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 3.120 1.909 0.106) 3.659 1.699 ( 1.343 0.006 -0.136) 1.350 2.408 ( 1.139 0.569 0.002) 1.274 3.078 ( -1.175 -0.397 0.037) 1.241 4.940 ( -14.974 -6.752 0.262) 16.428 5.032 ( 17.085 7.971 -0.230) 18.855 7.309 ( 3.192 1.296 -0.114) 3.446 8.197 ( -13.220 -6.532 0.091) 14.746 8.734 ( -2.223 -0.109 0.007) 2.225 9.805 ( 9.844 4.087 -0.014) 10.659 18.528 ( -0.451 -0.332 -0.001) 0.560 18.950 ( -0.575 -0.132 0.001) 0.590 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 1.276 3.610 1.562) 4.135 1.714 ( 0.425 0.310 -1.001) 1.131 2.391 ( -5.590 3.135 2.044) 6.727 3.125 ( 7.269 -1.076 -1.037) 7.421 4.540 ( -16.519 -16.877 -0.998) 23.637 5.352 ( 7.352 11.746 0.719) 13.876 7.378 ( 2.528 2.537 -0.167) 3.585 7.862 ( -13.638 -11.339 -0.670) 17.749 8.681 ( -3.789 -0.506 1.086) 3.974 10.025 ( 9.332 5.638 -0.696) 10.926 18.532 ( 1.347 -0.270 -0.446) 1.444 18.949 ( -0.726 1.939 1.142) 2.365 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -0.431 4.568 3.319) 5.663 1.713 ( -0.540 0.855 -2.107) 2.337 2.307 ( -9.951 5.055 6.773) 13.055 3.276 ( 11.986 -2.804 -2.696) 12.601 4.037 ( -17.446 -20.945 -3.256) 27.452 5.520 ( -2.341 12.433 0.302) 12.656 7.436 ( -1.893 5.432 -6.380) 8.590 7.530 ( -7.630 -14.449 6.948) 17.756 8.601 ( -5.075 -0.817 1.613) 5.387 10.224 ( 7.209 5.791 -2.817) 9.666 18.560 ( 2.314 -0.408 -1.278) 2.675 18.976 ( 0.061 2.950 4.185) 5.121 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -1.842 4.735 5.069) 7.177 1.695 ( -2.011 1.724 -3.636) 4.499 2.209 ( -11.169 5.824 13.178) 18.230 3.334 ( -7.184 -12.596 -2.618) 14.735 3.630 ( 4.598 -12.244 -7.795) 15.225 5.524 ( -11.586 13.057 -0.991) 17.484 7.226 ( -7.635 -8.245 -3.554) 11.786 7.519 ( 0.353 1.574 6.802) 6.990 8.504 ( -5.556 -0.722 1.763) 5.873 10.365 ( 4.298 4.958 -6.037) 8.916 18.587 ( 1.641 -0.365 -1.974) 2.593 19.045 ( 2.408 2.256 8.336) 8.965 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 0.000 -6.636 7.559) 10.058 1.339 ( 0.000 1.163 2.870) 3.097 2.194 ( 0.000 -1.990 4.481) 4.903 3.313 ( -0.000 7.227 -5.966) 9.371 3.668 ( -0.000 -10.392 -4.288) 11.242 5.403 ( -0.000 17.439 -0.596) 17.449 7.046 ( -0.000 2.176 -0.271) 2.193 8.227 ( 0.000 0.088 1.520) 1.522 8.678 ( 0.000 3.924 10.727) 11.422 9.634 ( -0.000 8.678 -13.743) 16.253 18.651 ( -0.000 1.434 -0.965) 1.728 19.141 ( 0.000 -13.065 8.734) 15.716 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 1.753 -5.341 6.039) 8.250 1.408 ( 5.345 0.081 2.726) 6.000 2.197 ( 1.153 -1.951 3.518) 4.185 3.459 ( 11.444 5.988 -5.086) 13.881 3.538 ( -3.366 -6.555 -3.171) 8.022 5.522 ( -3.087 11.477 0.099) 11.885 7.078 ( 1.594 1.463 -0.179) 2.171 8.276 ( 4.659 0.211 1.570) 4.921 8.730 ( 0.477 1.458 2.445) 2.886 9.659 ( -2.893 6.929 -4.926) 8.980 18.653 ( -0.991 1.362 -1.363) 2.167 19.046 ( -0.420 -9.881 6.258) 11.703 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 3.780 -2.741 4.166) 6.257 1.518 ( 5.880 -0.578 2.210) 6.309 2.221 ( 2.526 -1.717 2.570) 3.992 3.402 ( -5.729 -2.407 -2.382) 6.655 3.786 ( 20.869 4.626 -3.188) 21.612 5.523 ( -6.685 5.259 0.934) 8.557 7.127 ( 2.751 0.665 0.184) 2.837 8.388 ( 6.418 0.260 1.487) 6.593 8.743 ( 1.263 -1.251 -5.738) 6.007 9.640 ( -5.025 4.932 3.124) 7.703 18.633 ( -2.114 0.782 -1.082) 2.500 18.978 ( -0.076 -5.828 3.244) 6.670 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 5.045 0.160 2.793) 5.769 1.606 ( 4.247 -0.695 1.424) 4.533 2.269 ( 4.048 -1.424 1.265) 4.474 3.277 ( -7.095 1.194 -1.200) 7.294 4.223 ( 25.231 1.570 -1.489) 25.323 5.405 ( -10.287 0.418 1.659) 10.428 7.187 ( 3.474 0.160 0.740) 3.556 8.462 ( 0.343 -1.725 -0.638) 1.871 8.710 ( 2.605 -4.658 -10.061) 11.389 9.643 ( -2.096 5.714 8.750) 10.658 18.592 ( -2.642 0.255 -0.473) 2.696 18.949 ( 0.397 -1.927 0.486) 2.026 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 4.932 2.443 2.070) 5.880 1.663 ( 2.650 -0.574 0.748) 2.813 2.341 ( 5.228 -0.949 -0.196) 5.317 3.174 ( -7.064 3.534 -0.075) 7.899 4.609 ( 19.389 -9.523 -0.357) 21.604 5.232 ( -8.972 3.835 2.094) 9.979 7.257 ( 3.923 0.179 1.474) 4.195 8.303 ( -9.574 -8.791 -7.956) 15.239 8.703 ( 3.278 -3.663 -3.430) 5.994 9.760 ( 3.795 7.855 8.398) 12.110 18.550 ( -2.085 0.269 -0.158) 2.109 18.952 ( 0.500 0.903 -1.017) 1.449 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 3.641 3.702 1.818) 5.501 1.696 ( 1.504 -0.315 0.241) 1.555 2.423 ( 4.384 0.320 -0.744) 4.458 3.109 ( -4.411 3.839 0.387) 5.861 4.527 ( -6.086 -24.372 0.241) 25.121 5.342 ( 8.121 12.163 1.627) 14.715 7.339 ( 4.209 0.598 2.737) 5.056 7.959 ( -12.894 -12.456 -8.862) 19.999 8.697 ( 0.356 -3.128 -0.291) 3.162 9.963 ( 6.567 8.510 4.977) 11.845 18.529 ( -0.768 0.561 -0.136) 0.961 18.974 ( 0.405 2.510 -1.046) 2.749 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 1.999 3.950 1.738) 4.756 1.713 ( 0.615 0.126 -0.267) 0.682 2.479 ( -0.452 3.160 1.409) 3.490 3.112 ( 2.084 1.397 -0.846) 2.648 4.072 ( -14.424 -26.385 -0.579) 30.076 5.603 ( 6.348 10.400 0.852) 12.214 7.431 ( 3.998 -1.165 6.787) 7.963 7.583 ( -12.026 -9.912 -9.654) 18.332 8.650 ( -2.085 -3.066 0.608) 3.758 10.171 ( 6.145 7.707 1.408) 9.957 18.533 ( 0.582 0.701 -0.265) 0.948 19.008 ( 0.552 2.973 0.267) 3.036 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 0.651 3.400 1.801) 3.902 1.718 ( -0.351 0.768 -1.148) 1.426 2.479 ( -6.282 6.352 6.174) 10.860 3.196 ( 7.725 -2.548 -2.150) 8.413 3.543 ( -14.444 -24.020 -3.386) 28.233 5.750 ( -1.290 9.446 -0.428) 9.543 7.251 ( -7.964 -12.018 -1.387) 14.484 7.542 ( 2.251 4.184 2.602) 5.417 8.573 ( -3.485 -2.625 0.702) 4.419 10.330 ( 4.121 5.950 -2.034) 7.518 18.556 ( 1.232 0.510 -0.471) 1.414 19.056 ( 1.387 2.287 2.652) 3.767 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.000 -4.438 7.587) 8.789 1.365 ( 0.000 -0.303 2.253) 2.273 2.179 ( 0.000 -1.777 2.708) 3.239 3.388 ( -0.000 3.863 -4.626) 6.027 3.511 ( -0.000 -2.677 -2.085) 3.393 5.642 ( 0.000 6.165 1.096) 6.261 7.074 ( -0.000 0.832 -0.491) 0.966 8.237 ( 0.000 -0.291 1.902) 1.924 8.715 ( -0.000 -1.202 -6.957) 7.060 9.756 ( 0.000 6.043 4.064) 7.282 18.672 ( -0.000 1.666 -1.875) 2.508 18.980 ( 0.000 -7.363 4.650) 8.708 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 2.071 -2.185 7.018) 7.636 1.416 ( 5.127 -1.000 2.140) 5.645 2.180 ( 1.157 -1.573 1.719) 2.602 3.461 ( -1.252 1.349 -3.110) 3.614 3.521 ( 10.143 2.212 -1.436) 10.480 5.649 ( -3.586 0.336 2.084) 4.161 7.091 ( 1.641 0.060 -0.331) 1.675 8.285 ( 4.912 -0.520 1.906) 5.295 8.662 ( 0.625 -3.488 -13.912) 14.356 9.798 ( -3.699 4.152 10.532) 11.910 18.670 ( -1.368 1.318 -1.461) 2.396 18.936 ( 0.217 -3.814 1.938) 4.283 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 4.311 0.195 5.265) 6.807 1.512 ( 5.916 -1.363 1.876) 6.354 2.199 ( 2.481 -1.632 0.167) 2.974 3.417 ( -5.563 4.968 -0.912) 7.514 3.811 ( 20.679 -0.623 -0.962) 20.710 5.543 ( -6.740 -4.727 2.754) 8.680 7.130 ( 3.026 -0.571 0.533) 3.125 8.388 ( 5.798 -1.397 1.390) 6.124 8.562 ( 0.699 -6.648 -18.704) 19.862 9.806 ( -4.431 4.196 14.783) 15.993 18.642 ( -2.534 0.619 -0.362) 2.634 18.927 ( 0.728 -0.035 -1.250) 1.447 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 5.738 1.914 3.271) 6.876 1.596 ( 4.487 -1.346 1.528) 4.927 2.236 ( 4.221 -2.060 -1.948) 5.084 3.364 ( -7.642 7.588 0.381) 10.776 4.161 ( 21.501 -7.191 0.524) 22.678 5.366 ( -6.735 -6.038 2.842) 9.481 7.189 ( 4.076 -0.860 1.860) 4.562 8.307 ( -6.121 -9.441 -14.040) 17.992 8.547 ( 7.500 -3.754 -4.540) 9.537 9.859 ( -1.065 6.374 14.781) 16.132 18.599 ( -2.773 0.517 0.363) 2.845 18.947 ( 0.953 2.553 -3.484) 4.424 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 5.682 2.864 1.396) 6.515 1.653 ( 2.994 -1.113 1.428) 3.499 2.293 ( 6.442 -2.721 -4.262) 8.190 3.307 ( -8.822 8.848 1.624) 12.599 4.293 ( 6.108 -20.624 1.931) 21.596 5.307 ( 4.616 0.748 2.113) 5.132 7.267 ( 4.875 -1.055 3.697) 6.208 7.996 ( -10.227 -12.088 -14.584) 21.527 8.608 ( 4.706 -4.157 -1.558) 6.469 9.997 ( 2.830 8.155 10.924) 13.923 18.564 ( -2.133 0.949 0.611) 2.413 18.982 ( 0.938 3.618 -4.376) 5.755 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 4.278 3.001 -0.379) 5.240 1.692 ( 1.879 -0.641 1.555) 2.522 2.376 ( 8.492 -3.113 -6.034) 10.873 3.248 ( -8.687 8.455 2.544) 12.386 4.006 ( -8.888 -27.331 2.597) 28.858 5.514 ( 12.397 3.920 1.329) 13.070 7.353 ( 4.437 -3.953 7.328) 9.434 7.648 ( -10.255 -8.269 -13.521) 18.877 8.614 ( 1.618 -4.633 -0.779) 4.969 10.176 ( 4.132 8.125 6.202) 11.025 18.550 ( -1.083 1.358 0.610) 1.841 19.020 ( 0.965 3.438 -4.037) 5.390 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.000 -1.328 8.008) 8.118 1.360 ( 0.000 -1.607 1.775) 2.395 2.159 ( 0.000 -1.502 0.359) 1.545 3.401 ( -0.000 0.195 -3.403) 3.408 3.536 ( -0.000 5.837 0.340) 5.847 5.663 ( 0.000 -5.664 3.047) 6.431 7.072 ( -0.000 -0.587 -0.760) 0.961 8.241 ( 0.000 -0.849 2.242) 2.397 8.559 ( -0.000 -4.870 -18.385) 19.019 9.906 ( 0.000 1.939 14.897) 15.023 18.691 ( -0.000 0.886 -0.588) 1.064 18.913 ( -0.000 -0.542 -1.023) 1.158 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 2.414 -0.346 6.395) 6.844 1.397 ( 5.316 -2.256 1.803) 6.050 2.150 ( 1.022 -1.783 -1.702) 2.669 3.468 ( 8.034 -0.889 -3.412) 8.774 3.606 ( 0.188 8.282 2.318) 8.603 5.559 ( -3.169 -11.402 3.578) 12.364 7.077 ( 1.920 -1.163 -0.226) 2.256 8.280 ( 4.587 -1.326 1.983) 5.170 8.427 ( -0.633 -6.878 -21.313) 22.404 9.953 ( -2.431 1.177 17.953) 18.155 18.682 ( -1.453 -0.286 1.105) 1.848 18.921 ( 0.438 3.301 -4.879) 5.907 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 5.032 0.381 3.431) 6.102 1.488 ( 6.419 -2.491 2.025) 7.177 2.146 ( 2.205 -2.512 -4.377) 5.507 3.552 ( -1.273 5.956 -1.535) 6.281 3.777 ( 13.168 -0.533 2.812) 13.476 5.366 ( -4.194 -15.019 3.533) 15.989 7.114 ( 3.613 -1.593 1.327) 4.166 8.235 ( -3.518 -9.376 -20.244) 22.586 8.374 ( 7.051 -2.347 -0.497) 7.448 9.994 ( -1.850 2.703 18.596) 18.883 18.649 ( -2.178 -0.579 2.036) 3.037 18.954 ( 0.527 5.629 -7.670) 9.528 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 6.837 0.862 0.342) 6.900 1.573 ( 5.182 -2.335 2.455) 6.191 2.147 ( 3.955 -3.680 -7.440) 9.195 3.552 ( -6.336 8.094 0.450) 10.289 3.970 ( 10.701 -10.942 3.707) 15.748 5.198 ( 2.210 -12.501 2.756) 12.991 7.178 ( 4.832 -2.027 3.472) 6.286 7.971 ( -6.911 -10.905 -18.337) 22.426 8.462 ( 6.374 -3.706 -0.953) 7.434 10.085 ( 0.754 5.214 15.845) 16.698 18.615 ( -2.147 -0.012 2.294) 3.143 18.993 ( 0.417 6.079 -9.113) 10.963 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 6.816 1.146 -2.675) 7.411 1.640 ( 3.829 -1.858 3.409) 5.453 2.162 ( 6.734 -5.223 -10.608) 13.607 3.495 ( -7.884 3.940 1.451) 8.932 3.887 ( -4.505 -17.307 5.885) 18.827 5.270 ( 14.698 -5.732 1.675) 15.865 7.255 ( 4.727 -4.016 6.260) 8.813 7.673 ( -7.941 -8.446 -15.221) 19.134 8.507 ( 4.221 -4.904 -1.384) 6.617 10.225 ( 2.529 6.657 11.006) 13.109 18.593 ( -1.666 0.756 2.242) 2.894 19.024 ( 0.424 5.103 -9.317) 10.632 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.000 -1.158 5.889) 6.002 1.322 ( 0.000 -3.289 1.270) 3.526 2.112 ( -0.000 -2.153 -4.165) 4.688 3.348 ( -0.000 -3.332 -2.709) 4.294 3.740 ( 0.000 12.905 2.343) 13.116 5.451 ( 0.000 -17.874 4.028) 18.322 7.044 ( -0.000 -1.550 -0.487) 1.625 8.233 ( 0.000 -1.460 2.120) 2.574 8.285 ( -0.000 -7.589 -22.370) 23.623 10.042 ( 0.000 -0.597 20.534) 20.542 18.690 ( 0.000 -1.934 2.934) 3.514 18.946 ( -0.000 7.199 -9.132) 11.629 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 2.784 -1.717 2.855) 4.341 1.347 ( 6.052 -4.088 1.714) 7.502 2.074 ( 0.758 -2.847 -7.004) 7.598 3.379 ( 8.933 -5.518 -2.468) 10.786 3.865 ( -2.654 14.522 3.112) 15.088 5.240 ( -1.801 -22.713 4.082) 23.147 7.047 ( 2.265 -1.861 0.550) 2.983 8.111 ( -1.633 -8.821 -22.255) 23.996 8.259 ( 3.850 -2.033 1.553) 4.622 10.100 ( -0.825 -0.241 21.798) 21.815 18.670 ( -0.819 -2.410 3.592) 4.403 18.993 ( -0.218 9.322 -12.102) 15.277 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 6.070 -1.988 -1.249) 6.508 1.438 ( 7.636 -4.253 2.805) 9.179 2.031 ( 1.594 -3.878 -10.073) 10.911 3.480 ( 10.037 -9.561 -1.308) 13.924 3.962 ( -3.939 13.368 3.948) 14.485 5.000 ( 1.038 -23.242 3.647) 23.550 7.088 ( 4.119 -2.254 2.651) 5.392 7.893 ( -4.000 -9.820 -19.970) 22.611 8.321 ( 5.398 -3.079 0.214) 6.218 10.176 ( 0.319 1.836 20.290) 20.376 18.644 ( -0.996 -1.945 3.709) 4.305 19.034 ( -0.819 9.470 -13.929) 16.864 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 8.487 -1.946 -5.003) 10.043 1.534 ( 6.728 -4.026 4.246) 8.917 1.982 ( 2.892 -5.356 -13.538) 14.843 3.463 ( 2.182 -16.732 2.115) 17.006 4.000 ( -7.904 10.281 4.443) 13.708 4.917 ( 13.062 -16.706 2.370) 21.339 7.155 ( 4.736 -3.327 5.100) 7.714 7.648 ( -5.403 -8.746 -16.082) 19.088 8.373 ( 4.861 -4.386 -1.080) 6.636 10.290 ( 1.803 4.068 15.854) 16.467 18.625 ( -0.790 -1.173 3.797) 4.052 19.054 ( -1.271 8.061 -14.641) 16.761 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 0.000 -3.729 1.515) 4.025 1.240 ( 0.000 -5.733 0.771) 5.784 2.008 ( -0.000 -3.410 -9.569) 10.158 3.234 ( -0.000 -5.913 -2.681) 6.492 4.057 ( 0.000 15.949 2.502) 16.144 5.011 ( 0.000 -28.147 4.479) 28.501 7.009 ( 0.000 -1.881 0.581) 1.968 7.959 ( -0.000 -9.155 -21.382) 23.259 8.211 ( 0.000 -1.974 1.309) 2.369 10.177 ( 0.000 -1.441 24.201) 24.243 18.660 ( 0.000 -3.050 3.592) 4.713 19.054 ( -0.000 11.380 -15.046) 18.866 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 3.166 -4.967 -2.729) 6.491 1.252 ( 7.527 -6.753 1.878) 10.285 1.935 ( 0.406 -4.324 -11.971) 12.735 3.223 ( 6.754 -8.034 -2.119) 10.707 4.193 ( -3.178 14.783 2.431) 15.315 4.731 ( 0.432 -29.304 4.400) 29.636 7.015 ( 2.483 -2.003 1.935) 3.731 7.777 ( -1.823 -9.544 -19.448) 21.740 8.220 ( 2.957 -2.524 0.495) 3.919 10.252 ( 0.402 -0.723 24.322) 24.337 18.640 ( -0.161 -2.765 2.942) 4.041 19.106 ( -1.115 11.569 -16.833) 20.455 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 7.419 -5.411 -7.279) 11.717 1.348 ( 9.661 -7.084 3.268) 12.418 1.850 ( 0.758 -5.587 -14.212) 15.290 3.234 ( 5.348 -13.785 1.458) 14.858 4.268 ( -5.175 13.163 2.371) 14.341 4.523 ( 7.374 -24.729 3.216) 26.005 7.063 ( 4.119 -2.476 4.002) 6.254 7.575 ( -3.066 -9.006 -15.939) 18.562 8.252 ( 3.902 -3.587 -0.629) 5.338 10.352 ( 1.542 1.253 20.873) 20.967 18.623 ( 0.122 -2.384 2.556) 3.497 19.125 ( -2.447 10.286 -17.467) 20.418 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -0.000 -7.383 -4.407) 8.598 1.097 ( 0.000 -8.944 0.541) 8.960 1.839 ( -0.000 -5.500 -13.319) 14.409 3.084 ( -0.000 -6.623 -3.125) 7.323 4.298 ( 0.000 -12.988 7.197) 14.849 4.506 ( -0.000 -5.151 -0.483) 5.173 6.981 ( 0.000 -1.723 2.114) 2.727 7.630 ( -0.000 -9.655 -17.566) 20.045 8.172 ( 0.000 -2.329 -0.033) 2.329 10.324 ( 0.000 -1.820 26.779) 26.840 18.621 ( 0.000 -2.369 0.664) 2.460 19.175 ( -0.000 11.834 -18.068) 21.599 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 3.668 -8.412 -8.826) 12.732 1.095 ( 9.355 -10.130 1.643) 13.886 1.729 ( 0.302 -7.382 -13.983) 15.815 3.042 ( 3.535 -8.247 -1.539) 9.104 4.091 ( 5.306 -30.751 8.404) 32.318 4.549 ( -4.602 13.487 -2.510) 14.470 6.996 ( 2.486 -1.729 3.284) 4.467 7.466 ( -1.210 -9.204 -14.578) 17.282 8.165 ( 2.054 -2.814 -0.745) 3.563 10.410 ( 1.106 -1.099 25.523) 25.571 18.599 ( 0.169 -1.972 -1.682) 2.598 19.210 ( -1.881 10.705 -17.700) 20.771 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -0.000 -10.449 -10.010) 14.470 0.888 ( 0.000 -12.254 0.888) 12.286 1.586 ( -0.000 -10.898 -13.444) 17.307 2.936 ( -0.000 -5.343 -3.814) 6.565 3.753 ( 0.000 -31.939 10.521) 33.627 4.717 ( -0.000 13.501 -4.278) 14.163 6.970 ( 0.000 -1.296 3.297) 3.542 7.336 ( -0.000 -8.902 -12.110) 15.030 8.118 ( -0.000 -2.468 -1.267) 2.774 10.476 ( 0.000 -2.137 27.756) 27.838 18.566 ( -0.000 -1.126 -7.317) 7.404 19.272 ( -0.000 9.771 -15.777) 18.557 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.169 ( 0.000 -0.000 8.453) 8.453 0.169 ( 0.000 -0.000 8.453) 8.453 1.124 ( 0.000 -0.000 52.167) 52.167 2.621 ( -0.000 0.000 -12.392) 12.392 2.621 ( -0.000 0.000 -12.392) 12.392 5.861 ( -0.000 0.000 -9.841) 9.841 6.917 ( -0.000 0.000 -3.425) 3.425 6.917 ( -0.000 0.000 -3.425) 3.425 8.068 ( 0.000 -0.000 4.823) 4.823 8.068 ( 0.000 -0.000 4.823) 4.823 19.469 ( -0.000 0.000 -1.526) 1.526 21.377 ( 0.000 -0.000 1.453) 1.453 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 14.082 8.130 7.762) 18.019 0.580 ( 19.077 11.014 6.827) 23.062 1.364 ( 5.293 3.056 47.951) 48.339 2.517 ( -1.815 -1.048 -16.019) 16.156 2.776 ( 13.567 7.833 -13.860) 20.917 5.431 ( -19.733 -11.393 6.563) 23.712 6.941 ( 1.729 0.998 -3.225) 3.793 7.051 ( 5.902 3.407 2.452) 7.242 8.085 ( 0.440 0.254 5.043) 5.068 8.835 ( 45.047 26.008 -45.362) 69.017 19.290 ( -14.778 -8.532 1.877) 17.168 20.651 ( -40.422 -23.338 47.315) 66.463 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 14.682 8.476 10.266) 19.819 0.959 ( 11.235 6.486 11.012) 17.016 1.672 ( 7.030 4.059 38.461) 39.308 2.430 ( -0.329 -0.190 -18.437) 18.441 3.159 ( 23.484 13.559 -12.331) 29.789 5.057 ( -15.425 -8.906 3.389) 18.131 6.970 ( 1.630 0.941 -3.070) 3.601 7.201 ( 5.539 3.198 8.895) 10.956 8.126 ( 1.640 0.947 4.830) 5.188 9.501 ( 27.550 15.906 -48.310) 57.844 18.928 ( -14.823 -8.558 7.963) 18.878 20.149 ( -20.001 -11.548 41.791) 47.748 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 12.760 7.367 12.999) 19.649 1.211 ( 7.954 4.593 8.709) 12.658 1.933 ( 5.104 2.947 31.375) 31.923 2.380 ( 2.036 1.175 -19.487) 19.628 3.754 ( 29.857 17.238 -9.209) 35.685 4.701 ( -15.904 -9.182 -1.082) 18.396 6.992 ( 1.082 0.625 -2.612) 2.895 7.368 ( 5.501 3.176 12.490) 14.012 8.194 ( 2.832 1.635 4.009) 5.173 9.853 ( 16.935 9.778 -37.636) 42.413 18.702 ( -7.003 -4.043 5.641) 9.859 19.886 ( -14.702 -8.488 30.177) 34.624 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 6.452 3.725 2.434) 7.837 1.478 ( 8.126 4.691 12.759) 15.837 2.148 ( 4.936 2.850 26.828) 27.426 2.403 ( 5.743 3.316 -17.127) 18.367 4.282 ( -11.802 -6.814 -8.469) 16.045 4.457 ( 24.722 14.273 -3.133) 28.718 7.002 ( 0.408 0.236 -1.688) 1.753 7.535 ( 4.591 2.650 14.402) 15.347 8.281 ( 3.534 2.040 2.542) 4.807 10.060 ( 11.154 6.440 -27.660) 30.512 18.617 ( -2.170 -1.253 2.593) 3.606 19.659 ( -12.651 -7.304 21.260) 25.795 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 4.881 2.818 -2.585) 6.201 1.636 ( 2.651 1.531 6.764) 7.424 2.360 ( 6.140 3.545 20.593) 21.780 2.532 ( 8.985 5.188 -8.917) 13.680 3.871 ( -17.216 -9.940 -7.919) 21.399 5.075 ( 25.264 14.586 -4.381) 29.500 7.001 ( -0.103 -0.059 -0.474) 0.489 7.675 ( 2.902 1.675 14.740) 15.116 8.369 ( 3.354 1.936 0.622) 3.923 10.192 ( 7.531 4.348 -19.429) 21.287 18.596 ( -0.535 -0.309 1.005) 1.180 19.452 ( -10.226 -5.904 13.410) 17.867 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 3.351 1.934 -5.043) 6.356 1.668 ( -0.442 -0.255 -0.089) 0.519 2.562 ( 5.743 3.316 9.854) 11.878 2.730 ( 8.727 5.038 0.191) 10.078 3.464 ( -14.686 -8.479 -5.645) 17.873 5.562 ( 17.351 10.017 -3.704) 20.374 6.996 ( -0.283 -0.163 0.692) 0.766 7.767 ( 0.563 0.325 13.784) 13.799 8.434 ( 2.191 1.265 -1.418) 2.900 10.282 ( 5.301 3.060 -12.812) 14.199 18.588 ( -0.466 -0.269 0.567) 0.781 19.281 ( -7.429 -4.289 6.261) 10.620 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -1.891 -1.092 -4.159) 4.698 1.652 ( 2.002 1.156 -6.494) 6.893 2.595 ( -5.724 -3.305 -7.857) 10.267 2.916 ( 5.968 3.445 6.446) 9.436 3.256 ( -0.527 -0.304 5.487) 5.520 5.836 ( 7.025 4.056 -3.209) 8.723 6.995 ( -0.137 -0.079 1.507) 1.515 7.794 ( -2.119 -1.224 12.391) 12.631 8.456 ( 0.325 0.188 -3.197) 3.219 10.355 ( 4.248 2.453 -8.046) 9.423 18.582 ( -0.035 -0.020 0.774) 0.775 19.146 ( -5.363 -3.096 0.259) 6.198 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -3.022 -1.745 -5.982) 6.926 1.655 ( 0.425 0.245 -9.518) 9.530 2.300 ( -13.999 -8.082 -10.257) 19.144 3.043 ( 2.374 1.370 10.138) 10.502 3.425 ( 10.640 6.143 6.463) 13.882 5.855 ( -4.543 -2.623 -3.157) 6.122 7.001 ( 0.141 0.081 1.750) 1.757 7.759 ( -4.346 -2.509 11.703) 12.734 8.426 ( -1.655 -0.956 -4.316) 4.720 10.425 ( 3.834 2.214 -5.627) 7.160 18.602 ( 1.534 0.885 1.796) 2.523 19.026 ( -4.431 -2.558 -4.321) 6.698 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -4.422 -2.553 -6.249) 8.070 1.576 ( -4.183 -2.415 -18.594) 19.211 1.965 ( -11.798 -6.812 1.740) 13.734 3.097 ( -1.003 -0.579 11.660) 11.718 3.732 ( 13.659 7.886 3.248) 16.103 5.605 ( -15.699 -9.064 -3.644) 18.490 7.011 ( 0.226 0.130 1.253) 1.280 7.683 ( -5.645 -3.259 12.034) 13.686 8.354 ( -3.077 -1.776 -4.400) 5.655 10.491 ( 3.382 1.953 -5.772) 6.969 18.670 ( 3.167 1.829 4.980) 6.178 18.909 ( -3.571 -2.062 -8.253) 9.226 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -6.280 -3.626 -5.271) 8.964 1.310 ( -11.411 -6.588 -19.894) 23.862 1.797 ( -5.643 -3.258 9.716) 11.699 3.083 ( -3.420 -1.975 11.057) 11.742 4.066 ( 14.179 8.186 1.370) 16.429 5.120 ( -24.274 -14.014 -4.555) 28.397 7.016 ( -0.126 -0.073 -0.038) 0.150 7.585 ( -6.525 -3.767 12.659) 14.732 8.262 ( -3.497 -2.019 -3.245) 5.180 10.537 ( 2.624 1.515 -8.480) 9.005 18.723 ( -3.021 -1.744 4.866) 5.987 18.866 ( 4.877 2.816 -5.480) 7.857 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -12.223 -7.057 -8.406) 16.428 1.118 ( -8.469 -4.889 -3.311) 10.324 1.711 ( -5.557 -3.208 10.621) 12.409 3.023 ( -4.554 -2.629 8.342) 9.861 4.353 ( 0.524 0.303 -2.901) 2.964 4.514 ( -15.967 -9.219 -2.121) 18.559 7.002 ( -0.766 -0.442 -1.808) 2.012 7.469 ( -7.330 -4.232 12.803) 15.348 8.177 ( -2.992 -1.727 -1.098) 3.625 10.546 ( 1.368 0.790 -14.605) 14.690 18.627 ( -4.299 -2.482 0.133) 4.966 19.038 ( 8.222 4.747 6.646) 11.589 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 0.000 13.712 6.282) 15.083 0.666 ( 0.000 23.198 10.628) 25.516 1.542 ( 0.000 6.422 47.214) 47.649 2.570 ( -0.000 8.863 -19.006) 20.971 2.620 ( -0.000 5.671 -13.435) 14.582 5.461 ( 0.000 -19.922 2.111) 20.034 6.873 ( -0.000 -0.307 -3.709) 3.721 7.129 ( 0.000 12.881 2.049) 13.043 8.119 ( 0.000 0.850 5.033) 5.104 8.656 ( -0.000 42.261 -35.073) 54.919 19.295 ( 0.000 -15.566 0.954) 15.595 20.795 ( 0.000 -41.699 36.936) 55.705 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 13.763 11.381 7.652) 19.430 0.956 ( 4.792 13.488 14.564) 20.421 1.792 ( 2.328 6.960 39.840) 40.511 2.473 ( -6.853 8.995 -17.822) 21.107 2.891 ( 18.109 14.866 -14.741) 27.681 5.184 ( -10.309 -14.399 1.429) 17.766 6.900 ( 3.665 -0.511 -3.149) 4.859 7.271 ( -0.049 12.049 7.827) 14.368 8.142 ( 0.124 1.286 4.861) 5.029 9.109 ( 20.294 27.192 -43.769) 55.380 19.047 ( -8.936 -15.337 5.030) 18.449 20.424 ( -13.699 -24.935 38.864) 48.164 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 13.735 8.637 9.145) 18.625 1.190 ( 5.034 6.564 15.199) 17.304 2.010 ( 2.573 3.259 29.398) 29.690 2.415 ( -4.883 12.675 -16.587) 21.439 3.416 ( 25.744 20.367 -10.574) 34.487 4.843 ( -13.160 -12.714 -1.493) 18.359 6.949 ( 3.147 0.212 -2.759) 4.190 7.426 ( 0.689 10.382 12.588) 16.331 8.189 ( 1.628 1.854 4.321) 4.976 9.515 ( 18.747 14.840 -40.151) 46.731 18.792 ( -7.517 -8.626 5.771) 12.814 20.117 ( -12.727 -16.222 31.109) 37.322 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 6.443 2.687 5.282) 8.754 1.428 ( 8.622 5.438 14.495) 17.721 2.160 ( 3.536 0.469 17.843) 18.196 2.459 ( -2.589 18.456 -9.271) 20.815 4.066 ( 27.251 18.738 -8.299) 34.097 4.467 ( -13.538 -11.368 -3.479) 18.017 6.991 ( 1.634 1.449 -2.286) 3.162 7.585 ( 1.095 7.800 15.718) 17.581 8.263 ( 2.599 2.638 3.047) 4.795 9.793 ( 14.963 8.099 -32.177) 36.399 18.656 ( -3.496 -3.432 3.722) 6.152 19.851 ( -11.845 -13.103 22.756) 28.807 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 4.955 1.297 0.290) 5.130 1.616 ( 4.215 1.065 8.304) 9.374 2.297 ( 6.115 0.536 12.176) 13.636 2.622 ( -0.619 22.174 -1.934) 22.266 4.018 ( -15.307 -12.068 -8.181) 21.140 4.753 ( 26.573 15.970 -3.923) 31.250 7.019 ( 0.023 2.702 -1.455) 3.069 7.723 ( 0.724 4.731 17.156) 17.811 8.348 ( 2.666 3.340 1.152) 4.426 9.986 ( 11.746 4.097 -24.055) 27.082 18.608 ( -1.087 -1.150 1.902) 2.474 19.601 ( -10.449 -10.786 15.069) 21.274 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 3.987 0.111 -3.965) 5.624 1.672 ( 0.435 -0.052 1.307) 1.379 2.462 ( 7.494 -0.196 9.207) 11.873 2.845 ( -0.560 23.067 1.313) 23.111 3.604 ( -14.834 -10.893 -6.631) 19.561 5.305 ( 21.915 10.694 -3.777) 24.676 7.037 ( -1.304 3.813 -0.448) 4.055 7.819 ( -0.365 1.524 17.094) 17.165 8.423 ( 1.640 3.656 -0.976) 4.124 10.124 ( 9.295 1.527 -16.904) 19.351 18.593 ( -0.433 -0.767 1.010) 1.340 19.382 ( -8.232 -8.219 8.003) 14.120 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 2.344 -1.913 -6.689) 7.341 1.666 ( -0.989 1.445 -2.821) 3.320 2.566 ( 2.046 -2.928 -1.484) 3.868 3.045 ( -3.378 20.046 2.489) 20.480 3.303 ( -5.979 -4.992 2.618) 8.217 5.682 ( 13.726 4.198 -3.737) 14.832 7.049 ( -2.171 4.673 0.385) 5.167 7.858 ( -1.953 -1.453 16.224) 16.406 8.465 ( -0.303 3.357 -2.897) 4.444 10.229 ( 7.695 0.041 -11.355) 13.717 18.582 ( -0.136 -0.817 0.890) 1.216 19.205 ( -6.032 -5.816 1.953) 8.604 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -0.301 -3.270 -7.876) 8.533 1.653 ( -1.273 2.491 -6.387) 6.973 2.409 ( -10.376 -6.375 -9.560) 15.482 3.154 ( -1.741 11.174 7.136) 13.372 3.359 ( 4.881 7.079 7.116) 11.161 5.827 ( 3.259 -2.635 -3.931) 5.746 7.059 ( -2.579 5.085 0.725) 5.748 7.838 ( -3.562 -3.675 15.565) 16.385 8.457 ( -2.522 2.485 -4.188) 5.484 10.318 ( 6.717 -0.558 -8.129) 10.560 18.587 ( 1.174 -0.169 1.419) 1.849 19.062 ( -4.806 -4.215 -2.463) 6.851 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -2.544 -4.077 -8.843) 10.064 1.608 ( -3.981 2.701 -11.351) 12.328 2.113 ( -12.147 -5.510 -2.089) 13.501 3.244 ( -4.596 10.020 9.373) 14.470 3.590 ( 10.940 6.807 3.660) 13.395 5.711 ( -8.190 -8.946 -4.298) 12.867 7.065 ( -2.697 4.807 0.358) 5.523 7.777 ( -4.666 -4.840 15.621) 17.007 8.401 ( -4.219 1.463 -4.469) 6.318 10.394 ( 5.780 -0.584 -7.705) 9.650 18.640 ( 3.570 1.224 3.071) 4.866 18.930 ( -4.517 -3.376 -5.116) 7.614 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -5.779 -5.429 -10.256) 12.963 1.476 ( -9.432 3.484 -12.426) 15.985 1.907 ( -7.413 -3.467 8.248) 11.619 3.251 ( -8.194 7.370 9.151) 14.325 3.888 ( 14.422 6.071 1.000) 15.679 5.343 ( -18.684 -13.481 -4.740) 23.522 7.061 ( -2.761 3.767 -0.729) 4.727 7.692 ( -5.468 -5.309 15.920) 17.650 8.317 ( -4.876 0.779 -3.535) 6.072 10.449 ( 4.431 -0.281 -10.107) 11.040 18.760 ( 4.968 2.559 8.465) 10.143 18.801 ( -3.218 -2.673 -8.104) 9.120 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -9.449 -4.297 -5.467) 11.732 1.293 ( -11.582 3.547 -6.151) 13.585 1.811 ( -5.042 -2.729 11.367) 12.731 3.177 ( -9.588 3.636 6.571) 12.179 4.206 ( 14.760 5.064 -0.098) 15.605 4.783 ( -25.851 -14.805 -5.190) 30.239 7.037 ( -2.852 2.331 -2.180) 4.280 7.590 ( -6.426 -5.567 15.710) 17.863 8.231 ( -4.467 0.540 -1.571) 4.766 10.465 ( 2.360 0.176 -15.552) 15.731 18.677 ( -4.387 -2.069 -3.201) 5.811 18.957 ( 8.861 3.602 10.090) 13.903 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 0.000 13.335 7.333) 15.218 1.102 ( 0.000 9.203 18.588) 20.741 1.966 ( 0.000 4.768 31.992) 32.345 2.665 ( -0.000 8.535 -14.083) 16.467 2.796 ( -0.000 28.144 -14.557) 31.686 5.116 ( 0.000 -16.364 -0.960) 16.392 6.859 ( -0.000 1.203 -2.827) 3.072 7.444 ( 0.000 14.317 10.296) 17.635 8.166 ( 0.000 0.525 4.176) 4.209 9.070 ( -0.000 27.036 -41.591) 49.606 18.975 ( 0.000 -15.953 5.001) 16.718 20.396 ( 0.000 -26.250 34.004) 42.957 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 10.788 10.053 7.884) 16.721 1.247 ( 1.906 3.489 18.677) 19.095 2.096 ( 0.669 1.436 21.527) 21.585 2.635 ( -6.402 15.674 -12.629) 21.123 3.246 ( 16.197 29.585 -8.142) 34.697 4.876 ( -7.505 -15.713 -3.033) 17.675 6.892 ( 2.734 1.499 -2.194) 3.812 7.616 ( -1.837 14.326 13.796) 19.974 8.195 ( 1.199 0.904 3.921) 4.198 9.272 ( 11.176 18.479 -39.687) 45.182 18.813 ( -3.839 -10.834 5.134) 12.588 20.199 ( -6.470 -21.681 28.573) 36.447 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 8.319 4.089 6.305) 11.211 1.392 ( 5.842 1.708 15.932) 17.055 2.181 ( 1.249 0.618 13.937) 14.007 2.701 ( -3.048 21.117 -8.261) 22.880 3.830 ( 20.298 25.389 -5.550) 32.976 4.542 ( -11.044 -14.086 -4.660) 18.496 6.956 ( 3.149 1.972 -1.735) 4.101 7.764 ( -2.802 12.562 16.408) 20.854 8.256 ( 2.493 2.051 3.573) 4.815 9.511 ( 13.749 10.745 -34.553) 38.709 18.685 ( -3.107 -5.230 3.913) 7.233 19.952 ( -8.626 -18.299 22.128) 29.982 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 4.305 -0.143 3.162) 5.344 1.567 ( 5.892 0.377 9.354) 11.061 2.269 ( 3.186 0.824 11.467) 11.929 2.886 ( -0.870 25.871 -4.233) 26.229 4.090 ( -9.740 -11.920 -8.735) 17.699 4.496 ( 19.018 17.681 -2.034) 26.047 7.023 ( 2.293 2.963 -1.505) 4.037 7.883 ( -3.439 9.601 18.284) 20.936 8.342 ( 2.844 3.448 2.273) 5.014 9.718 ( 13.213 5.174 -27.659) 31.087 18.623 ( -1.494 -1.996 2.362) 3.434 19.694 ( -8.895 -15.405 15.496) 23.592 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 3.732 -1.332 -1.698) 4.311 1.655 ( 2.200 -0.413 3.309) 3.994 2.386 ( 5.160 -0.034 9.510) 10.819 3.138 ( -1.239 28.491 -0.864) 28.531 3.709 ( -13.453 -12.419 -7.506) 19.787 5.019 ( 21.435 12.368 -2.995) 24.928 7.082 ( 0.923 4.229 -1.414) 4.554 7.961 ( -4.406 6.060 19.439) 20.833 8.433 ( 2.134 4.614 0.195) 5.088 9.883 ( 11.875 1.136 -20.665) 23.861 18.597 ( -0.720 -1.059 1.331) 1.847 19.451 ( -7.774 -12.119 9.086) 17.026 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 2.779 -2.128 -5.656) 6.651 1.678 ( 0.196 0.531 -0.389) 0.687 2.490 ( 4.057 -1.535 2.583) 5.048 3.360 ( -11.032 -1.573 -5.654) 12.496 3.392 ( -2.987 21.173 4.742) 21.903 5.435 ( 17.275 4.453 -3.650) 18.209 7.130 ( -0.533 5.442 -1.513) 5.674 7.985 ( -5.569 2.409 19.807) 20.716 8.501 ( 0.270 5.021 -1.901) 5.375 10.014 ( 10.641 -1.501 -14.664) 18.180 18.580 ( -0.463 -1.185 1.025) 1.634 19.248 ( -5.986 -8.644 3.368) 11.041 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 1.046 -2.552 -7.900) 8.368 1.678 ( -0.759 1.620 -2.929) 3.432 2.459 ( -4.539 -3.846 -6.454) 8.777 3.212 ( 0.293 -2.139 4.009) 4.553 3.586 ( -6.357 25.189 4.710) 26.402 5.668 ( 9.763 -2.900 -4.223) 11.025 7.162 ( -1.861 6.231 -1.909) 6.778 7.956 ( -6.460 -0.916 19.764) 20.813 8.523 ( -2.259 4.431 -3.400) 6.024 10.125 ( 9.655 -2.606 -10.555) 14.540 18.571 ( 0.506 -0.981 1.271) 1.684 19.089 ( -4.646 -5.754 -0.860) 7.445 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -1.260 -2.359 -8.647) 9.051 1.659 ( -2.152 2.399 -5.746) 6.588 2.254 ( -10.372 -3.698 -4.381) 11.851 3.318 ( 7.965 1.994 4.736) 9.479 3.705 ( -8.091 20.450 5.061) 22.567 5.678 ( -0.158 -8.829 -4.539) 9.928 7.175 ( -2.987 6.254 -2.617) 7.408 7.886 ( -6.622 -3.632 19.608) 21.012 8.490 ( -4.472 3.350 -3.840) 6.781 10.225 ( 8.508 -2.364 -9.012) 12.617 18.597 ( 2.787 -0.028 1.896) 3.371 18.958 ( -4.275 -3.708 -2.807) 6.317 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -4.258 -1.410 -7.657) 8.874 1.602 ( -5.140 3.383 -8.484) 10.481 2.045 ( -9.194 -2.425 4.321) 10.444 3.482 ( 1.128 6.280 4.785) 7.975 3.785 ( -0.211 11.461 1.914) 11.622 5.457 ( -10.918 -12.190 -4.484) 16.968 7.163 ( -3.882 5.366 -3.468) 7.476 7.795 ( -6.160 -5.675 19.105) 20.860 8.416 ( -5.677 2.517 -3.060) 6.923 10.307 ( 6.776 -1.232 -10.195) 12.303 18.682 ( 5.476 0.414 1.057) 5.592 18.848 ( -4.088 -1.463 -0.201) 4.346 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -7.336 0.819 -2.649) 7.843 1.491 ( -8.528 4.371 -7.394) 12.104 1.920 ( -6.050 -1.971 10.778) 12.516 3.452 ( -12.377 5.941 3.833) 14.254 3.989 ( 13.280 3.970 -1.341) 13.925 5.042 ( -20.476 -11.474 -4.187) 23.842 7.123 ( -4.393 3.807 -4.077) 7.100 7.692 ( -5.868 -6.944 17.899) 20.076 8.330 ( -5.767 2.075 -1.358) 6.277 10.358 ( 4.219 0.347 -14.035) 14.660 18.698 ( -1.768 -2.253 -6.538) 7.137 18.893 ( 6.153 3.209 12.518) 14.313 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.000 9.650 7.934) 12.493 1.310 ( 0.000 -0.674 18.158) 18.170 2.165 ( 0.000 0.189 16.264) 16.265 2.768 ( -0.000 11.376 -13.865) 17.935 3.450 ( -0.000 38.526 -2.546) 38.610 4.762 ( -0.000 -16.694 -4.687) 17.339 6.881 ( -0.000 2.486 -1.682) 3.001 7.842 ( 0.000 15.283 16.835) 22.738 8.198 ( 0.000 0.121 3.150) 3.153 9.224 ( -0.000 17.335 -38.325) 42.063 18.758 ( 0.000 -8.955 4.508) 10.026 20.120 ( 0.000 -22.650 24.641) 33.469 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 7.148 5.831 7.115) 11.650 1.369 ( 2.572 -2.700 15.406) 15.851 2.217 ( 0.379 -0.378 12.788) 12.799 2.858 ( 1.769 15.007 -12.033) 19.316 3.879 ( 6.600 31.933 -1.491) 32.642 4.530 ( -5.745 -13.581 -5.572) 15.764 6.924 ( 2.259 2.733 -1.138) 3.724 8.021 ( -3.556 13.949 17.836) 22.920 8.238 ( 2.769 1.088 4.133) 5.093 9.320 ( 7.341 12.942 -35.193) 38.209 18.685 ( -1.449 -5.172 3.528) 6.426 19.937 ( -4.098 -21.224 19.964) 29.424 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 3.427 -0.941 5.328) 6.405 1.486 ( 6.953 -0.758 10.096) 12.282 2.269 ( 1.640 -0.677 10.951) 11.094 3.064 ( 5.558 20.188 -8.837) 22.727 4.073 ( -4.955 -8.972 -7.010) 12.417 4.473 ( 5.621 20.532 -1.078) 21.314 6.998 ( 3.121 2.886 -0.755) 4.317 8.132 ( -4.457 11.040 16.028) 19.966 8.335 ( 2.968 3.558 6.239) 7.771 9.468 ( 10.344 7.725 -29.792) 32.469 18.634 ( -1.293 -2.189 2.305) 3.432 19.705 ( -6.016 -18.679 14.799) 24.579 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 2.929 -2.975 1.365) 4.392 1.607 ( 4.357 -0.670 4.923) 6.608 2.339 ( 3.379 -1.343 9.153) 9.849 3.375 ( 5.875 24.624 -4.432) 25.701 3.763 ( -10.422 -13.087 -7.831) 18.471 4.850 ( 12.198 17.132 -1.290) 21.071 7.080 ( 2.913 3.200 -0.763) 4.394 8.204 ( -5.537 8.919 16.710) 19.734 8.444 ( 2.260 5.074 4.432) 7.106 9.615 ( 11.100 2.599 -23.355) 25.989 18.607 ( -0.997 -0.982 1.321) 1.925 19.468 ( -6.185 -15.178 9.493) 18.940 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 2.865 -2.991 -2.972) 5.098 1.665 ( 1.784 -0.156 1.542) 2.363 2.415 ( 3.997 -1.931 4.753) 6.503 3.431 ( -9.848 -10.351 -3.262) 14.655 3.713 ( 1.827 28.299 -2.512) 28.469 5.192 ( 13.628 6.429 -2.518) 15.277 7.155 ( 2.098 3.627 -1.274) 4.379 8.228 ( -7.854 6.456 18.329) 20.960 8.540 ( 1.031 5.883 1.034) 6.061 9.744 ( 11.335 -1.475 -17.241) 20.686 18.584 ( -0.948 -1.054 0.921) 1.690 19.260 ( -5.165 -11.038 4.485) 12.986 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 2.045 -2.211 -5.749) 6.490 1.687 ( 0.381 0.642 -0.662) 0.998 2.447 ( 0.553 -2.154 -2.011) 2.998 3.210 ( -4.187 -6.074 1.092) 7.458 3.983 ( -4.326 28.826 1.397) 29.182 5.423 ( 11.972 -3.147 -3.639) 12.902 7.214 ( 0.929 4.069 -2.260) 4.747 8.187 ( -9.866 3.065 19.121) 21.733 8.595 ( -1.388 5.471 -1.481) 5.836 9.866 ( 11.499 -3.254 -12.383) 17.209 18.562 ( -0.408 -1.249 1.035) 1.673 19.099 ( -3.960 -7.048 0.555) 8.103 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.421 -0.773 -6.389) 6.450 1.688 ( -0.701 1.327 -2.559) 2.966 2.361 ( -6.410 -1.603 -4.280) 7.873 3.194 ( 5.824 -2.363 3.478) 7.183 4.136 ( -10.677 25.507 3.087) 27.824 5.511 ( 6.735 -9.281 -4.185) 12.207 7.251 ( -0.549 4.490 -3.553) 5.752 8.083 ( -10.488 -1.430 19.050) 21.793 8.590 ( -3.896 4.266 -2.337) 6.232 9.994 ( 10.927 -2.572 -9.616) 14.781 18.561 ( 1.344 -0.918 1.234) 2.043 18.980 ( -3.361 -3.764 -1.250) 5.199 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -1.800 1.317 -4.825) 5.315 1.668 ( -2.223 2.060 -4.541) 5.459 2.201 ( -9.038 -0.370 0.799) 9.081 3.350 ( 11.611 -0.629 1.608) 11.739 4.138 ( -15.137 17.522 2.419) 23.280 5.441 ( -1.783 -10.197 -3.854) 11.046 7.258 ( -2.400 4.782 -4.882) 7.242 7.936 ( -9.124 -6.283 18.449) 21.519 8.537 ( -5.597 3.342 -1.628) 6.719 10.122 ( 9.184 -0.574 -9.330) 13.104 18.601 ( 3.654 -0.806 0.489) 3.774 18.899 ( -2.881 -0.702 0.484) 3.004 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -4.182 3.936 -0.893) 5.812 1.617 ( -4.493 3.020 -5.732) 7.884 2.065 ( -7.922 0.078 7.885) 11.178 3.551 ( 8.999 -0.321 0.458) 9.016 3.997 ( -12.400 5.367 -1.383) 13.582 5.228 ( -11.876 -5.308 -2.889) 13.325 7.226 ( -4.381 4.305 -5.699) 8.379 7.781 ( -6.530 -9.424 17.587) 20.994 8.459 ( -6.348 2.734 -0.245) 6.916 10.230 ( 6.415 1.669 -11.428) 13.212 18.646 ( 2.487 -1.901 -3.493) 4.690 18.900 ( 1.284 2.665 8.126) 8.647 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 0.000 5.304 7.181) 8.928 1.356 ( 0.000 -5.234 13.552) 14.527 2.246 ( 0.000 -1.449 11.286) 11.378 2.921 ( -0.000 12.768 -12.744) 18.040 4.105 ( -0.000 14.582 -2.247) 14.754 4.478 ( -0.000 3.912 -4.163) 5.713 6.930 ( -0.000 3.160 -0.777) 3.254 8.218 ( 0.000 -0.047 2.544) 2.545 8.272 ( 0.000 13.367 21.079) 24.960 9.270 ( -0.000 13.321 -33.618) 36.161 18.663 ( 0.000 -3.462 2.774) 4.436 19.818 ( 0.000 -21.584 16.910) 27.420 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 1.687 -0.772 6.589) 6.845 1.390 ( 5.707 -2.663 10.106) 11.908 2.270 ( 0.757 -2.149 9.778) 10.040 3.070 ( 7.094 14.047 -11.288) 19.367 4.027 ( -4.121 -12.992 -6.254) 14.996 4.670 ( 0.553 27.431 -0.426) 27.439 6.979 ( 2.024 3.084 -0.402) 3.711 8.244 ( 1.745 1.268 2.877) 3.596 8.451 ( -1.673 10.339 19.650) 22.267 9.330 ( 4.355 11.386 -28.730) 31.209 18.640 ( -0.668 -1.540 1.801) 2.462 19.635 ( -2.759 -19.925 13.280) 24.103 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 1.579 -4.647 4.490) 6.652 1.524 ( 6.417 -0.736 5.962) 8.790 2.302 ( 2.061 -2.648 8.312) 8.963 3.375 ( 13.712 16.482 -8.398) 23.026 3.760 ( -7.517 -13.302 -6.433) 16.578 4.943 ( 1.173 22.300 -0.150) 22.331 7.053 ( 3.047 2.755 -0.104) 4.109 8.321 ( 3.073 2.838 3.300) 5.329 8.565 ( -2.911 8.307 15.913) 18.185 9.426 ( 5.747 7.092 -21.974) 23.795 18.620 ( -0.981 -0.527 0.900) 1.431 19.428 ( -3.967 -16.720 9.309) 19.544 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 2.419 -4.129 0.793) 4.851 1.621 ( 3.751 -0.608 3.061) 4.880 2.346 ( 3.209 -2.784 5.793) 7.184 3.477 ( -8.628 -10.041 -4.379) 13.944 3.794 ( 15.292 19.460 -5.386) 25.328 5.143 ( 1.631 12.334 -0.530) 12.452 7.134 ( 3.138 2.427 -0.143) 3.970 8.407 ( 0.441 3.654 5.433) 6.562 8.639 ( -2.716 7.271 10.245) 12.853 9.514 ( 6.830 1.955 -15.709) 17.241 18.598 ( -1.303 -0.550 0.421) 1.476 19.237 ( -3.802 -12.446 5.299) 14.051 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 2.672 -2.224 -2.064) 4.043 1.671 ( 1.780 -0.088 0.985) 2.036 2.392 ( 2.989 -2.124 1.876) 4.119 3.244 ( -6.817 -6.387 -1.731) 9.501 4.226 ( 9.804 23.198 -1.598) 25.235 5.242 ( 3.002 0.262 -1.433) 3.336 7.207 ( 2.612 2.314 -0.666) 3.552 8.420 ( -5.667 2.109 8.915) 10.772 8.687 ( -2.358 5.938 3.700) 7.382 9.609 ( 9.209 -0.870 -10.616) 14.081 18.568 ( -1.285 -0.969 0.455) 1.673 19.088 ( -2.928 -7.856 1.827) 8.581 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 2.017 0.322 -3.099) 3.712 1.693 ( 0.510 0.458 -0.565) 0.889 2.404 ( -0.699 -0.440 -1.612) 1.811 3.122 ( -0.571 -3.704 1.206) 3.937 4.545 ( -3.011 25.532 1.454) 25.750 5.259 ( 6.896 -10.722 -2.854) 13.064 7.266 ( 1.654 2.650 -1.634) 3.526 8.310 ( -10.342 -2.699 10.295) 14.841 8.695 ( -3.383 4.074 0.633) 5.333 9.750 ( 10.949 0.107 -7.424) 13.230 18.544 ( -0.257 -1.101 0.602) 1.281 18.989 ( -2.182 -3.751 -0.120) 4.342 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 0.636 2.870 -2.232) 3.691 1.696 ( -0.588 0.991 -1.935) 2.252 2.344 ( -5.968 1.671 -0.574) 6.224 3.161 ( 7.701 -2.498 1.024) 8.161 4.586 ( -16.183 13.913 1.598) 21.401 5.287 ( 7.942 -7.365 -2.840) 11.197 7.305 ( 0.138 3.612 -3.050) 4.730 8.095 ( -11.146 -8.958 10.923) 17.994 8.660 ( -4.761 2.883 0.531) 5.591 9.927 ( 10.283 2.480 -6.680) 12.511 18.546 ( 1.599 -1.075 0.273) 1.946 18.935 ( -1.593 -0.344 0.418) 1.682 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -0.970 5.016 -0.020) 5.109 1.679 ( -1.900 1.651 -3.130) 4.017 2.246 ( -8.210 2.967 4.460) 9.803 3.321 ( 12.622 -2.353 -1.076) 12.884 4.310 ( -19.641 -3.916 -1.293) 20.069 5.327 ( -1.500 3.545 -1.618) 4.175 7.314 ( -2.566 4.567 -5.172) 7.361 7.849 ( -8.059 -13.190 13.079) 20.248 8.594 ( -5.873 2.026 1.033) 6.298 10.098 ( 7.898 4.400 -7.974) 12.055 18.573 ( 2.656 -1.296 -1.050) 3.137 18.937 ( 0.148 2.275 4.016) 4.618 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 0.000 -7.370 10.152) 12.545 1.323 ( 0.000 2.044 5.873) 6.219 2.269 ( 0.000 -3.072 8.528) 9.064 3.089 ( -0.000 11.860 -11.206) 16.317 3.902 ( -0.000 -14.171 -6.184) 15.462 4.949 ( -0.000 26.921 -0.076) 26.922 6.991 ( -0.000 3.047 -0.341) 3.066 8.234 ( 0.000 -0.064 2.522) 2.522 8.618 ( 0.000 6.720 14.361) 15.855 9.340 ( -0.000 14.197 -20.948) 25.306 18.640 ( 0.000 -0.556 1.001) 1.145 19.503 ( 0.000 -19.079 11.162) 22.104 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -0.163 -6.362 7.496) 9.833 1.424 ( 6.197 -0.341 5.891) 8.557 2.272 ( 1.007 -3.456 7.466) 8.288 3.256 ( 10.225 11.494 -9.828) 18.255 3.712 ( -3.922 -12.001 -5.555) 13.794 5.184 ( -1.634 21.827 0.278) 21.890 7.036 ( 1.876 2.571 -0.159) 3.187 8.276 ( 3.657 0.459 2.557) 4.486 8.696 ( -0.220 3.379 5.412) 6.384 9.429 ( -0.318 13.047 -10.281) 16.614 18.635 ( -0.622 0.085 0.147) 0.645 19.341 ( -1.738 -16.450 8.598) 18.642 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 1.433 -5.113 5.037) 7.319 1.543 ( 5.693 -0.888 4.230) 7.148 2.289 ( 2.171 -3.401 6.112) 7.324 3.496 ( -5.513 -7.789 -5.935) 11.238 3.607 ( 18.309 11.051 -5.739) 22.142 5.322 ( -4.127 14.793 0.757) 15.376 7.101 ( 2.952 1.887 0.214) 3.510 8.379 ( 5.447 1.310 2.456) 6.118 8.729 ( 0.722 1.269 -1.501) 2.094 9.498 ( -2.161 9.269 -2.394) 9.815 18.619 ( -1.279 0.106 -0.428) 1.353 19.183 ( -2.268 -12.531 5.733) 13.966 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 2.664 -2.446 2.636) 4.475 1.627 ( 3.574 -0.693 2.420) 4.372 2.322 ( 3.170 -2.806 4.040) 5.852 3.301 ( -6.953 -4.453 -3.345) 8.909 4.078 ( 23.006 11.608 -3.861) 26.056 5.337 ( -7.133 6.796 1.146) 9.919 7.174 ( 3.202 1.387 0.519) 3.528 8.474 ( 1.977 0.733 1.930) 2.859 8.740 ( 1.718 -0.839 -5.299) 5.634 9.540 ( -1.173 6.368 2.210) 6.841 18.589 ( -1.789 -0.282 -0.464) 1.870 19.057 ( -1.816 -7.991 2.847) 8.675 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 3.109 0.731 0.859) 3.308 1.675 ( 1.860 -0.254 0.999) 2.127 2.368 ( 3.273 -1.432 1.544) 3.892 3.151 ( -5.546 -1.621 -1.340) 5.931 4.581 ( 21.671 11.563 -1.755) 24.626 5.214 ( -10.641 -1.443 1.189) 10.804 7.243 ( 2.921 1.451 0.488) 3.298 8.428 ( -5.709 -4.724 -0.603) 7.434 8.743 ( 1.390 -1.132 -2.804) 3.327 9.631 ( 3.649 6.443 2.549) 7.831 18.553 ( -1.579 -0.585 -0.158) 1.691 18.980 ( -1.037 -3.683 0.651) 3.881 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 2.588 3.315 0.066) 4.206 1.698 ( 0.639 0.206 -0.085) 0.677 2.408 ( 0.870 1.018 0.001) 1.339 3.078 ( -0.788 -0.769 0.023) 1.101 4.943 ( -11.696 -13.073 0.170) 17.542 5.029 ( 13.403 15.204 -0.151) 20.269 7.308 ( 2.253 2.396 -0.070) 3.289 8.197 ( -10.039 -11.695 0.056) 15.412 8.734 ( -1.128 -0.510 0.004) 1.238 9.805 ( 7.044 7.574 -0.009) 10.343 18.528 ( -0.405 -0.561 -0.001) 0.692 18.950 ( -0.351 -0.285 0.001) 0.452 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 1.524 4.782 0.092) 5.020 1.702 ( -0.397 0.724 -0.963) 1.268 2.411 ( -3.789 3.958 1.620) 5.713 3.115 ( 6.488 -1.775 -0.769) 6.771 4.531 ( -17.217 -17.362 -0.630) 24.459 5.353 ( 6.935 12.692 -0.486) 14.472 7.365 ( 0.486 4.253 -2.108) 4.772 7.885 ( -9.388 -16.151 4.843) 19.299 8.691 ( -3.367 -0.579 0.789) 3.506 10.006 ( 7.038 8.011 -3.021) 11.083 18.529 ( 1.064 -0.411 -0.204) 1.159 18.962 ( 0.585 1.905 1.231) 2.342 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 0.000 -7.406 9.829) 12.307 1.379 ( 0.000 0.068 4.800) 4.800 2.252 ( 0.000 -3.719 6.778) 7.731 3.230 ( -0.000 9.246 -9.562) 13.301 3.619 ( -0.000 -9.203 -4.901) 10.427 5.405 ( -0.000 17.619 0.936) 17.644 7.041 ( -0.000 2.140 -0.499) 2.197 8.251 ( 0.000 -0.188 2.980) 2.986 8.705 ( -0.000 0.003 -6.321) 6.321 9.566 ( 0.000 13.610 1.651) 13.710 18.643 ( -0.000 0.558 -0.721) 0.912 19.226 ( 0.000 -14.500 7.373) 16.267 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 0.232 -5.611 9.262) 10.831 1.447 ( 5.378 -0.985 4.604) 7.148 2.246 ( 1.074 -3.628 5.909) 7.016 3.384 ( 10.896 7.206 -8.738) 15.716 3.505 ( -2.233 -4.594 -3.322) 6.093 5.532 ( -3.136 11.860 1.833) 12.404 7.075 ( 1.884 1.415 -0.379) 2.387 8.300 ( 4.467 -0.076 3.056) 5.413 8.670 ( 1.200 -1.995 -12.949) 13.156 9.679 ( -3.465 10.829 8.078) 13.947 18.639 ( -0.817 0.758 -1.387) 1.779 19.109 ( -0.910 -11.320 5.626) 12.674 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 1.915 -2.787 7.493) 8.221 1.549 ( 5.417 -1.288 3.708) 6.689 2.258 ( 2.262 -3.385 4.451) 6.032 3.368 ( -5.248 -1.078 -3.974) 6.671 3.745 ( 21.368 6.126 -4.550) 22.690 5.542 ( -6.840 5.707 2.645) 9.292 7.130 ( 3.131 0.717 0.446) 3.243 8.410 ( 6.054 -0.077 2.715) 6.636 8.615 ( 2.404 -4.722 -17.175) 17.974 9.725 ( -5.820 8.435 11.659) 15.523 18.619 ( -1.722 0.689 -1.467) 2.365 19.013 ( -0.855 -7.456 3.358) 8.222 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 3.375 0.244 4.957) 6.002 1.628 ( 3.639 -1.003 2.562) 4.562 2.289 ( 3.646 -3.063 2.418) 5.341 3.258 ( -6.666 2.322 -2.291) 7.422 4.201 ( 25.730 2.802 -2.613) 26.014 5.430 ( -10.552 0.788 3.068) 11.017 7.199 ( 3.636 0.451 1.536) 3.973 8.427 ( -2.504 -5.956 -8.143) 10.394 8.601 ( 7.852 -3.785 -7.672) 11.612 9.756 ( -4.238 8.391 11.968) 15.218 18.585 ( -2.299 0.485 -0.882) 2.510 18.956 ( -0.138 -3.540 0.902) 3.656 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 3.888 2.577 2.217) 5.165 1.676 ( 2.030 -0.534 1.651) 2.671 2.341 ( 5.010 -2.528 0.145) 5.614 3.170 ( -6.714 4.490 -0.619) 8.101 4.600 ( 19.555 -8.212 -1.143) 21.240 5.257 ( -9.417 3.726 2.681) 10.476 7.277 ( 3.735 0.963 2.329) 4.506 8.207 ( -7.150 -12.492 -10.165) 17.621 8.674 ( 4.999 -2.958 -2.068) 6.166 9.848 ( 0.318 9.703 8.195) 12.705 18.549 ( -1.990 0.486 -0.179) 2.056 18.942 ( 0.647 -0.401 -0.841) 1.134 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 0.000 -5.104 12.312) 13.328 1.398 ( 0.000 -1.227 4.091) 4.271 2.220 ( 0.000 -3.642 5.056) 6.231 3.321 ( -0.000 5.763 -7.987) 9.850 3.484 ( -0.000 -1.180 -3.083) 3.301 5.664 ( 0.000 6.629 2.953) 7.257 7.066 ( -0.000 0.788 -1.063) 1.323 8.267 ( 0.000 -0.623 3.623) 3.676 8.579 ( -0.000 -3.352 -17.654) 17.969 9.847 ( 0.000 8.564 12.122) 14.842 18.651 ( -0.000 1.376 -2.118) 2.525 19.031 ( 0.000 -9.160 4.802) 10.343 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 0.617 -3.228 11.700) 12.152 1.449 ( 5.219 -1.876 4.213) 6.965 2.207 ( 1.079 -3.730 3.361) 5.135 3.411 ( 2.630 3.032 -6.330) 7.495 3.501 ( 6.834 3.830 -2.328) 8.172 5.681 ( -3.682 0.695 3.832) 5.359 7.086 ( 2.176 0.115 -0.664) 2.278 8.313 ( 4.620 -0.948 3.336) 5.777 8.475 ( 0.448 -5.145 -20.344) 20.989 9.934 ( -3.653 6.315 14.285) 16.040 18.650 ( -1.097 1.829 -2.182) 3.051 18.963 ( -0.194 -6.392 3.057) 7.088 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 2.600 -1.155 8.570) 9.030 1.544 ( 5.596 -1.959 4.068) 7.190 2.205 ( 2.380 -4.093 0.967) 4.833 3.399 ( -4.901 6.139 -2.555) 8.260 3.791 ( 20.891 1.187 -2.810) 21.112 5.580 ( -6.970 -4.607 4.168) 9.337 7.138 ( 3.787 -0.378 1.039) 3.945 8.337 ( -0.840 -7.878 -20.819) 22.276 8.417 ( 7.297 -1.671 1.643) 7.664 9.965 ( -5.012 5.915 14.903) 16.799 18.633 ( -2.271 1.799 -1.212) 3.141 18.922 ( 0.396 -3.194 0.332) 3.236 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 4.300 0.566 4.336) 6.133 1.624 ( 3.984 -1.526 3.615) 5.593 2.216 ( 4.199 -4.783 -1.760) 6.603 3.363 ( -7.139 8.704 -0.697) 11.279 4.157 ( 21.923 -5.542 -1.128) 22.641 5.401 ( -7.216 -6.267 3.657) 10.233 7.215 ( 4.657 -0.440 3.243) 5.692 8.131 ( -3.989 -11.208 -18.345) 21.865 8.527 ( 7.061 -2.847 -0.004) 7.614 10.006 ( -3.180 7.437 12.717) 15.071 18.602 ( -2.839 1.572 0.181) 3.250 18.915 ( 1.230 -0.333 -2.431) 2.744 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 0.000 -3.538 14.126) 14.563 1.388 ( 0.000 -2.481 3.586) 4.361 2.167 ( 0.000 -4.057 1.090) 4.201 3.346 ( -0.000 1.865 -6.890) 7.138 3.534 ( -0.000 7.480 -0.823) 7.525 5.704 ( 0.000 -5.512 4.649) 7.211 7.060 ( -0.000 -0.385 -1.418) 1.469 8.274 ( 0.000 -1.394 3.977) 4.214 8.343 ( -0.000 -5.917 -21.713) 22.505 10.070 ( 0.000 4.078 15.590) 16.115 18.676 ( -0.000 2.743 -2.095) 3.452 18.916 ( 0.000 -4.754 1.558) 5.003 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 0.827 -3.171 11.575) 12.030 1.430 ( 5.715 -3.121 4.515) 7.924 2.131 ( 0.995 -4.584 -1.862) 5.047 3.417 ( 8.217 0.459 -6.300) 10.364 3.621 ( 0.633 9.854 0.526) 9.889 5.604 ( -3.322 -11.496 4.906) 12.933 7.074 ( 2.698 -0.819 -0.404) 2.848 8.193 ( -0.698 -7.150 -22.192) 23.325 8.311 ( 4.143 -2.140 3.434) 5.791 10.135 ( -2.730 3.304 16.248) 16.804 18.687 ( -1.483 2.547 -0.412) 2.976 18.884 ( 0.479 -2.072 -1.719) 2.735 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 3.380 -2.492 6.450) 7.696 1.527 ( 6.362 -3.087 5.463) 8.936 2.096 ( 2.193 -5.456 -4.980) 7.705 3.526 ( 1.589 4.992 -3.361) 6.224 3.794 ( 11.484 2.908 0.340) 11.851 5.409 ( -4.590 -15.313 4.476) 16.600 7.133 ( 4.741 -1.232 2.329) 5.424 8.010 ( -2.268 -9.039 -21.398) 23.340 8.387 ( 5.892 -2.967 2.265) 6.974 10.173 ( -3.213 4.392 15.136) 16.085 18.673 ( -2.653 1.484 2.125) 3.709 18.881 ( 1.196 0.994 -5.729) 5.936 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 0.000 -5.183 13.562) 14.519 1.346 ( 0.000 -4.184 3.210) 5.274 2.063 ( -0.000 -4.922 -5.089) 7.079 3.298 ( -0.000 -1.923 -6.665) 6.937 3.757 ( -0.000 13.932 0.751) 13.952 5.501 ( 0.000 -18.092 5.236) 18.835 7.036 ( -0.000 -0.961 -0.954) 1.354 8.052 ( -0.000 -7.612 -21.484) 22.793 8.264 ( 0.000 -2.306 3.624) 4.295 10.242 ( 0.000 1.963 17.198) 17.309 18.724 ( 0.000 0.786 3.020) 3.121 18.860 ( -0.000 1.473 -6.620) 6.782 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 0.864 -5.996 8.864) 10.737 1.384 ( 7.002 -5.134 5.595) 10.329 1.994 ( 0.681 -5.397 -8.102) 9.759 3.333 ( 9.386 -4.118 -6.229) 11.993 3.887 ( -2.206 15.042 1.070) 15.241 5.289 ( -2.045 -22.920 5.108) 23.572 7.053 ( 3.205 -1.227 0.688) 3.500 7.885 ( -1.571 -8.202 -20.313) 21.963 8.283 ( 3.502 -2.997 2.856) 5.422 10.306 ( -1.700 2.272 16.879) 17.116 18.721 ( -1.042 -2.223 6.088) 6.565 18.869 ( 0.161 5.846 -11.103) 12.549 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.000 -9.359 11.364) 14.722 1.260 ( 0.000 -6.640 3.061) 7.312 1.903 ( -0.000 -5.379 -10.235) 11.562 3.181 ( -0.000 -4.616 -7.286) 8.625 4.072 ( -0.000 16.182 0.367) 16.186 5.065 ( 0.000 -28.227 5.497) 28.757 7.013 ( 0.000 -1.016 0.347) 1.074 7.749 ( -0.000 -8.395 -18.171) 20.017 8.231 ( 0.000 -3.065 2.514) 3.965 10.399 ( 0.000 1.547 17.482) 17.550 18.709 ( 0.000 -4.756 5.158) 7.016 18.910 ( -0.000 9.188 -11.432) 14.667 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( 0.000 -0.000 9.145) 9.145 0.262 ( 0.000 -0.000 9.145) 9.145 1.660 ( 0.000 -0.000 49.662) 49.662 2.465 ( -0.000 0.000 -17.027) 17.027 2.465 ( -0.000 0.000 -17.027) 17.027 5.734 ( -0.000 0.000 -14.193) 14.193 6.879 ( -0.000 0.000 -3.813) 3.813 6.879 ( -0.000 0.000 -3.813) 3.813 8.124 ( 0.000 -0.000 5.607) 5.607 8.124 ( 0.000 -0.000 5.607) 5.607 19.451 ( -0.000 0.000 -1.860) 1.860 21.394 ( 0.000 -0.000 1.779) 1.779 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 14.632 8.448 9.506) 19.387 0.661 ( 20.300 11.720 8.798) 25.037 1.863 ( 2.594 1.498 46.187) 46.284 2.330 ( -2.373 -1.370 -19.111) 19.307 2.610 ( 14.090 8.135 -17.433) 23.845 5.435 ( -15.755 -9.096 -4.926) 18.848 6.902 ( 1.845 1.065 -3.976) 4.511 7.060 ( 10.906 6.297 -0.751) 12.615 8.142 ( 0.297 0.172 5.668) 5.679 8.509 ( 27.687 15.985 -19.587) 37.493 19.298 ( -11.875 -6.856 0.178) 13.713 21.004 ( -27.062 -15.624 22.906) 38.744 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 15.837 9.143 12.678) 22.251 1.071 ( 11.623 6.710 10.972) 17.335 2.079 ( 2.913 1.682 37.146) 37.298 2.225 ( -0.648 -0.374 -20.292) 20.306 3.018 ( 25.578 14.768 -13.748) 32.578 5.059 ( -15.708 -9.069 -3.149) 18.409 6.933 ( 1.896 1.094 -3.861) 4.438 7.296 ( 8.371 4.833 8.850) 13.105 8.179 ( 1.259 0.727 5.045) 5.250 9.059 ( 26.296 15.182 -35.477) 46.697 18.989 ( -13.393 -7.733 4.299) 16.052 20.528 ( -21.527 -12.428 29.742) 38.761 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 5.875 3.392 8.665) 11.005 1.335 ( 13.126 7.578 15.772) 21.874 2.170 ( 2.531 1.461 -20.391) 20.599 2.255 ( 2.563 1.480 28.289) 28.443 3.655 ( 31.190 18.008 -8.822) 37.080 4.670 ( -16.538 -9.548 -4.708) 19.668 6.961 ( 1.563 0.903 -3.173) 3.651 7.514 ( 6.691 3.863 14.785) 16.682 8.235 ( 2.210 1.276 3.648) 4.452 9.471 ( 20.010 11.553 -34.371) 41.416 18.756 ( -7.824 -4.517 4.688) 10.178 20.175 ( -17.696 -10.217 24.127) 31.617 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 3.712 2.143 3.606) 5.601 1.610 ( 5.433 3.137 11.670) 13.249 2.237 ( 9.140 5.277 -13.510) 17.144 2.404 ( 2.915 1.683 21.135) 21.401 4.183 ( -7.365 -4.252 -9.383) 12.664 4.427 ( 20.325 11.735 -2.931) 23.651 6.982 ( 1.040 0.600 -1.924) 2.268 7.704 ( 4.697 2.712 17.544) 18.363 8.304 ( 2.753 1.590 1.618) 3.567 9.764 ( 14.918 8.613 -28.065) 32.929 18.647 ( -3.140 -1.813 3.124) 4.786 19.861 ( -15.552 -8.979 16.791) 24.585 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 2.854 1.647 -1.397) 3.579 1.679 ( -0.280 -0.162 0.885) 0.942 2.480 ( 12.512 7.224 -0.419) 14.454 2.536 ( 3.158 1.823 12.391) 12.916 3.790 ( -16.752 -9.672 -6.860) 20.524 5.032 ( 25.354 14.638 -3.648) 29.502 6.996 ( 0.526 0.304 -0.408) 0.732 7.849 ( 2.249 1.299 18.132) 18.317 8.368 ( 2.550 1.472 -0.707) 3.028 9.978 ( 11.030 6.368 -20.960) 24.526 18.611 ( -1.096 -0.632 1.754) 2.163 19.574 ( -12.938 -7.470 9.664) 17.793 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 2.182 1.260 -5.522) 6.070 1.644 ( -1.775 -1.025 -4.258) 4.726 2.611 ( 0.306 0.177 -0.671) 0.759 2.767 ( 10.619 6.131 6.589) 13.920 3.431 ( -11.513 -6.647 -0.326) 13.298 5.522 ( 17.433 10.065 -3.724) 20.471 7.005 ( 0.188 0.108 0.984) 1.008 7.933 ( -0.491 -0.283 17.594) 17.603 8.411 ( 1.508 0.871 -2.897) 3.381 10.136 ( 8.132 4.695 -14.775) 17.506 18.597 ( -0.632 -0.365 1.138) 1.352 19.332 ( -9.804 -5.661 3.361) 11.810 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 1.017 0.587 -9.605) 9.677 1.577 ( -2.401 -1.386 -5.897) 6.516 2.491 ( -8.501 -4.908 -10.911) 14.677 3.002 ( 7.002 4.042 9.649) 12.589 3.324 ( 1.388 0.801 6.832) 7.017 5.797 ( 7.097 4.097 -4.207) 9.211 7.013 ( 0.064 0.037 1.899) 1.901 7.950 ( -3.131 -1.808 17.078) 17.457 8.415 ( -0.096 -0.055 -4.510) 4.511 10.256 ( 6.096 3.520 -10.704) 12.811 18.593 ( 0.118 0.068 1.295) 1.302 19.140 ( -7.178 -4.144 -1.418) 8.408 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -3.108 -1.795 -5.924) 6.926 1.522 ( -1.613 -0.931 -15.252) 15.365 2.220 ( -10.710 -6.183 -5.154) 13.398 3.154 ( 2.888 1.668 10.558) 11.072 3.482 ( 9.330 5.386 4.366) 11.624 5.813 ( -4.496 -2.596 -4.826) 7.088 7.021 ( 0.002 0.001 2.050) 2.050 7.913 ( -5.069 -2.926 17.291) 18.254 8.376 ( -1.686 -0.973 -5.124) 5.482 10.345 ( 4.556 2.630 -9.663) 11.002 18.624 ( 2.243 1.295 2.372) 3.512 18.981 ( -5.752 -3.321 -4.107) 7.810 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -6.013 -3.472 -18.785) 20.027 1.389 ( -4.189 -2.418 -4.920) 6.899 2.007 ( -7.267 -4.195 5.211) 9.878 3.211 ( -0.993 -0.573 9.763) 9.830 3.755 ( 12.840 7.413 1.162) 14.872 5.557 ( -15.710 -9.070 -5.245) 18.884 7.025 ( -0.273 -0.158 1.257) 1.296 7.843 ( -6.247 -3.606 17.913) 19.311 8.307 ( -2.639 -1.523 -4.441) 5.386 10.397 ( 3.087 1.782 -11.944) 12.464 18.723 ( 5.290 3.054 4.006) 7.304 18.840 ( -5.127 -2.960 -3.774) 7.021 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 0.000 13.091 8.673) 15.703 0.785 ( 0.000 26.858 12.057) 29.440 2.024 ( 0.000 2.258 42.737) 42.797 2.365 ( -0.000 8.613 -18.498) 20.405 2.453 ( -0.000 6.794 -17.989) 19.229 5.426 ( -0.000 -15.104 -8.028) 17.105 6.837 ( -0.000 -0.094 -3.064) 3.065 7.124 ( -0.000 18.955 -2.765) 19.156 8.172 ( 0.000 0.467 4.964) 4.986 8.414 ( -0.000 22.863 -13.413) 26.508 19.299 ( 0.000 -12.934 0.010) 12.935 21.072 ( 0.000 -27.602 18.257) 33.094 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 14.893 10.851 10.073) 21.001 1.112 ( 3.970 17.043 15.413) 23.319 2.157 ( 0.070 0.038 16.440) 16.441 2.306 ( -6.444 10.900 -3.252) 13.073 2.737 ( 19.300 17.324 -12.349) 28.725 5.158 ( -9.648 -13.450 -6.154) 17.660 6.868 ( 3.496 -0.039 -2.859) 4.516 7.337 ( 2.497 16.656 4.473) 17.426 8.193 ( 0.271 0.771 4.745) 4.815 8.739 ( 16.547 20.192 -27.069) 37.607 19.086 ( -7.748 -13.320 2.808) 15.664 20.753 ( -12.433 -22.711 24.330) 35.529 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 13.718 6.189 10.787) 18.516 1.355 ( 3.930 8.783 16.236) 18.873 2.150 ( -2.146 5.969 -12.115) 13.675 2.376 ( -1.102 7.358 16.664) 18.250 3.317 ( 26.387 22.450 -6.823) 35.310 4.802 ( -13.242 -12.834 -6.245) 19.469 6.920 ( 2.961 0.862 -2.760) 4.139 7.560 ( 2.611 12.480 12.638) 17.953 8.234 ( 1.297 1.425 3.966) 4.409 9.130 ( 19.323 14.495 -32.754) 40.698 18.845 ( -7.489 -8.644 4.386) 12.249 20.400 ( -14.077 -17.671 22.601) 31.957 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 4.551 1.042 6.169) 7.737 1.580 ( 6.461 3.129 13.615) 15.391 2.188 ( 2.053 11.316 -8.688) 14.413 2.500 ( 0.062 8.593 13.045) 15.621 3.990 ( 25.691 18.399 -5.313) 32.043 4.417 ( -12.159 -10.300 -6.106) 17.065 6.967 ( 1.788 1.936 -2.216) 3.443 7.760 ( 1.923 8.624 17.476) 19.582 8.292 ( 1.827 2.287 2.329) 3.740 9.463 ( 17.639 9.716 -30.155) 36.261 18.695 ( -4.123 -4.090 3.639) 6.853 20.061 ( -13.973 -14.921 16.954) 26.557 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 2.623 -0.239 1.116) 2.861 1.677 ( 0.947 -0.604 2.670) 2.896 2.375 ( 7.015 7.175 5.193) 11.298 2.651 ( 0.210 15.696 5.105) 16.506 3.934 ( -14.744 -11.846 -7.040) 20.181 4.717 ( 26.137 16.094 -2.913) 30.832 7.005 ( 0.549 2.818 -1.237) 3.126 7.917 ( 0.530 5.094 19.500) 20.161 8.355 ( 1.696 3.027 0.090) 3.471 9.731 ( 14.941 6.081 -24.281) 29.151 18.631 ( -1.640 -1.680 2.293) 3.282 19.737 ( -12.764 -12.444 10.528) 20.703 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 2.183 -1.167 -3.956) 4.667 1.663 ( -1.599 0.349 -2.766) 3.214 2.533 ( 4.750 -1.463 4.177) 6.492 2.868 ( 0.575 21.965 2.891) 22.162 3.555 ( -12.576 -9.878 -2.162) 16.137 5.267 ( 21.700 10.657 -3.314) 24.402 7.034 ( -0.557 3.473 -0.143) 3.520 8.014 ( -1.306 1.817 19.848) 19.974 8.406 ( 0.727 3.439 -2.202) 4.148 9.939 ( 12.224 3.286 -18.077) 22.068 18.606 ( -0.689 -0.999 1.415) 1.864 19.448 ( -10.452 -9.592 4.485) 14.878 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 1.313 -2.428 -8.230) 8.680 1.624 ( -2.572 2.106 -4.917) 5.936 2.515 ( -3.341 -4.073 -7.684) 9.317 3.090 ( -0.681 17.332 6.423) 18.497 3.351 ( -2.772 -2.317 5.749) 6.790 5.640 ( 13.568 4.072 -4.099) 14.747 7.055 ( -1.389 3.852 0.691) 4.152 8.048 ( -3.168 -1.056 19.641) 19.922 8.428 ( -1.001 3.332 -3.956) 5.268 10.099 ( 9.832 1.284 -13.315) 16.602 18.594 ( -0.109 -0.801 1.298) 1.529 19.214 ( -7.835 -6.756 -0.345) 10.351 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -0.418 -3.348 -10.787) 11.303 1.577 ( -3.758 3.217 -7.487) 8.974 2.318 ( -9.067 -4.588 -7.489) 12.623 3.240 ( 0.202 9.431 8.790) 12.894 3.424 ( 3.717 6.746 5.255) 9.324 5.780 ( 3.165 -2.677 -4.901) 6.419 7.068 ( -1.924 3.812 0.947) 4.374 8.026 ( -4.632 -3.189 19.760) 20.545 8.409 ( -2.883 2.727 -4.778) 6.211 10.216 ( 7.681 0.074 -11.243) 13.617 18.605 ( 1.548 0.009 1.912) 2.460 19.032 ( -5.978 -4.581 -3.100) 8.144 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -2.904 -3.563 -12.240) 13.074 1.497 ( -6.140 3.642 -8.580) 11.161 2.113 ( -7.796 -3.252 1.333) 8.552 3.338 ( -3.675 8.613 8.424) 12.596 3.617 ( 9.586 6.214 1.473) 11.519 5.659 ( -8.237 -8.810 -5.266) 13.160 7.069 ( -2.295 3.214 0.447) 3.975 7.967 ( -5.541 -4.521 20.221) 21.448 8.354 ( -4.141 2.001 -4.422) 6.380 10.288 ( 5.450 -0.420 -12.458) 13.605 18.671 ( 4.361 1.253 2.509) 5.185 18.888 ( -4.905 -2.876 -2.439) 6.187 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 0.000 13.041 10.082) 16.484 1.294 ( 0.000 10.876 18.209) 21.210 2.211 ( 0.000 1.106 9.133) 9.199 2.492 ( -0.000 9.990 -18.525) 21.047 2.731 ( 0.000 29.310 6.970) 30.128 5.069 ( -0.000 -15.425 -7.722) 17.250 6.834 ( -0.000 1.481 -1.861) 2.379 7.530 ( 0.000 20.278 5.686) 21.061 8.209 ( 0.000 0.066 3.864) 3.864 8.712 ( -0.000 20.014 -26.511) 33.218 19.017 ( 0.000 -14.409 3.275) 14.776 20.689 ( 0.000 -25.018 22.139) 33.407 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 10.744 9.004 10.571) 17.557 1.434 ( 1.282 3.077 16.712) 17.041 2.233 ( -2.250 4.233 2.128) 5.245 2.524 ( -1.186 11.898 -7.534) 14.132 3.209 ( 13.921 31.255 2.482) 34.306 4.816 ( -7.320 -15.414 -8.055) 18.869 6.872 ( 2.618 1.873 -1.506) 3.554 7.751 ( -1.030 18.342 11.649) 21.753 8.236 ( 1.410 0.610 3.780) 4.080 8.901 ( 10.965 15.998 -30.574) 36.207 18.861 ( -3.761 -10.688 3.997) 12.015 20.454 ( -6.923 -22.655 20.034) 31.025 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 6.894 2.416 8.000) 10.833 1.545 ( 4.526 -0.199 12.772) 13.551 2.269 ( -0.371 6.882 3.002) 7.517 2.640 ( 0.974 15.374 -3.461) 15.788 3.798 ( 18.438 25.818 -0.050) 31.726 4.475 ( -10.559 -13.506 -7.916) 18.883 6.939 ( 2.947 2.449 -1.336) 4.058 7.937 ( -1.931 13.963 16.333) 21.574 8.294 ( 1.909 2.261 3.735) 4.765 9.166 ( 15.342 11.299 -30.724) 36.153 18.725 ( -3.412 -5.850 3.562) 7.652 20.153 ( -9.897 -19.940 15.874) 27.342 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 2.172 -1.424 3.387) 4.268 1.647 ( 3.208 -1.252 5.309) 6.328 2.373 ( 3.045 3.203 9.144) 10.156 2.847 ( 1.895 23.221 -3.705) 23.591 4.007 ( -10.008 -12.073 -6.475) 16.966 4.476 ( 18.595 18.267 -1.847) 26.131 7.009 ( 2.151 3.292 -1.126) 4.091 8.079 ( -2.494 9.645 18.704) 21.191 8.366 ( 1.378 3.815 2.414) 4.721 9.432 ( 15.805 6.882 -26.440) 31.563 18.649 ( -1.894 -2.646 2.437) 4.065 19.832 ( -10.646 -16.977 10.616) 22.677 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 1.444 -2.447 -1.602) 3.262 1.673 ( 0.191 -0.244 0.147) 0.343 2.470 ( 3.279 -1.262 6.291) 7.205 3.128 ( 0.717 27.966 -0.994) 27.993 3.649 ( -11.910 -12.149 -3.609) 17.392 4.991 ( 20.763 12.383 -2.363) 24.291 7.070 ( 0.952 4.103 -0.919) 4.311 8.171 ( -3.904 5.924 20.290) 21.495 8.432 ( 0.596 4.846 -0.251) 4.889 9.664 ( 14.561 2.961 -20.659) 25.447 18.613 ( -0.944 -1.436 1.504) 2.283 19.527 ( -9.691 -13.390 5.299) 17.358 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 0.984 -2.566 -6.040) 6.636 1.663 ( -1.255 1.225 -2.293) 2.886 2.489 ( -0.083 -2.775 -2.747) 3.905 3.326 ( -6.955 3.985 -0.315) 8.022 3.447 ( -2.113 15.548 5.356) 16.580 5.397 ( 16.777 4.311 -3.489) 17.670 7.117 ( -0.309 4.659 -0.892) 4.754 8.202 ( -5.683 2.465 21.226) 22.112 8.477 ( -0.822 5.246 -2.646) 5.933 9.854 ( 12.825 -0.019 -15.623) 20.213 18.592 ( -0.442 -1.275 1.227) 1.824 19.270 ( -7.709 -9.466 0.758) 12.231 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -0.070 -2.020 -8.938) 9.164 1.640 ( -2.332 2.372 -4.201) 5.359 2.386 ( -5.860 -2.798 -7.175) 9.678 3.263 ( 1.812 -2.400 5.365) 6.150 3.638 ( -5.262 23.718 5.198) 24.845 5.622 ( 9.444 -2.936 -4.457) 10.847 7.146 ( -1.481 4.785 -1.170) 5.143 8.176 ( -6.860 -0.731 21.689) 22.760 8.485 ( -2.873 4.824 -3.799) 6.780 10.002 ( 10.872 -1.594 -12.672) 16.772 18.586 ( 0.726 -0.968 1.559) 1.973 19.073 ( -5.769 -5.911 -2.046) 8.509 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -1.851 -0.652 -9.561) 9.760 1.596 ( -3.944 3.249 -5.791) 7.723 2.221 ( -7.493 -1.696 -2.108) 7.967 3.364 ( 8.065 0.342 3.968) 8.995 3.754 ( -8.421 19.605 4.148) 21.737 5.628 ( -0.292 -8.577 -4.853) 9.859 7.152 ( -2.531 4.375 -1.722) 5.340 8.107 ( -7.095 -3.752 21.894) 23.319 8.450 ( -4.655 4.110 -3.637) 7.196 10.111 ( 8.474 -1.687 -12.495) 15.192 18.617 ( 3.037 -0.344 1.775) 3.534 18.933 ( -4.337 -2.849 -1.788) 5.489 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 0.000 8.572 10.610) 13.640 1.481 ( 0.000 -1.869 14.066) 14.190 2.301 ( 0.000 0.971 9.653) 9.701 2.599 ( -0.000 13.328 -18.000) 22.397 3.470 ( 0.000 36.612 6.234) 37.139 4.689 ( -0.000 -16.193 -9.118) 18.584 6.868 ( -0.000 2.693 -0.824) 2.816 8.010 ( 0.000 19.734 14.890) 24.722 8.231 ( 0.000 -0.211 3.019) 3.026 8.859 ( -0.000 15.149 -30.698) 34.232 18.802 ( 0.000 -9.223 3.745) 9.954 20.341 ( 0.000 -23.860 17.426) 29.546 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 6.271 4.227 9.342) 12.019 1.509 ( 2.077 -3.755 10.808) 11.629 2.335 ( -0.253 0.553 10.017) 10.035 2.716 ( 3.936 15.571 -14.914) 21.918 3.893 ( 5.356 29.936 3.970) 30.670 4.452 ( -5.339 -12.192 -9.075) 16.109 6.915 ( 2.228 2.959 -0.507) 3.738 8.184 ( -3.514 10.564 11.336) 15.889 8.306 ( 2.539 6.650 10.480) 12.669 8.970 ( 8.249 13.093 -31.071) 34.711 18.721 ( -1.576 -5.844 3.137) 6.817 20.117 ( -4.701 -22.680 14.155) 27.145 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 1.890 -1.802 5.404) 6.002 1.578 ( 5.055 -2.158 7.100) 8.979 2.381 ( 1.422 -0.995 10.634) 10.775 2.959 ( 8.319 20.556 -11.133) 24.813 4.010 ( -6.743 -11.449 -4.871) 14.152 4.461 ( 6.574 23.057 -1.211) 24.006 6.992 ( 2.977 3.156 -0.332) 4.351 8.258 ( -0.245 5.799 7.419) 9.420 8.442 ( -1.785 8.815 14.279) 16.875 9.168 ( 12.156 9.757 -26.929) 31.115 18.659 ( -1.511 -2.918 2.154) 3.929 19.837 ( -7.175 -20.050 10.127) 23.581 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 0.678 -3.644 1.269) 3.917 1.649 ( 2.567 -0.994 2.824) 3.943 2.428 ( 2.160 -2.679 7.656) 8.394 3.318 ( 8.824 25.116 -5.920) 27.272 3.698 ( -9.960 -13.159 -4.399) 17.080 4.840 ( 11.343 17.283 -0.722) 20.686 7.074 ( 2.589 3.398 -0.372) 4.288 8.342 ( -0.076 5.182 8.232) 9.727 8.522 ( -3.412 7.778 11.036) 13.926 9.380 ( 12.872 5.065 -20.756) 24.943 18.621 ( -1.118 -1.509 1.252) 2.257 19.549 ( -7.696 -16.258 5.839) 18.911 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 0.664 -3.145 -2.612) 4.142 1.674 ( 0.463 0.141 0.115) 0.497 2.448 ( 1.192 -2.775 1.485) 3.366 3.401 ( -8.106 -9.290 -1.957) 12.484 3.702 ( 4.330 27.227 0.255) 27.570 5.168 ( 12.624 6.572 -1.993) 14.371 7.144 ( 1.601 3.607 -0.763) 4.019 8.398 ( -3.254 3.681 12.164) 13.119 8.566 ( -3.348 7.209 5.190) 9.493 9.568 ( 12.744 0.772 -15.710) 20.244 18.594 ( -0.855 -1.306 0.864) 1.784 19.294 ( -6.724 -11.714 1.922) 13.642 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 0.400 -1.419 -5.397) 5.595 1.674 ( -0.784 1.144 -1.663) 2.166 2.415 ( -2.236 -1.567 -3.986) 4.831 3.231 ( -1.952 -6.223 2.742) 7.075 4.005 ( -2.817 28.043 2.677) 28.311 5.386 ( 11.207 -3.014 -3.284) 12.061 7.195 ( 0.337 3.753 -1.514) 4.061 8.378 ( -6.980 0.328 16.153) 17.599 8.586 ( -3.602 6.542 0.510) 7.486 9.733 ( 12.283 -1.312 -12.575) 17.628 18.573 ( -0.170 -1.390 1.027) 1.736 19.098 ( -5.100 -7.131 -0.804) 8.804 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -0.441 1.141 -6.153) 6.274 1.658 ( -1.947 1.957 -3.039) 4.106 2.320 ( -5.684 0.105 -3.444) 6.647 3.230 ( 5.806 -3.506 3.116) 7.464 4.170 ( -10.238 24.671 3.151) 26.896 5.468 ( 6.397 -8.953 -3.977) 11.700 7.220 ( -1.104 3.862 -2.448) 4.704 8.280 ( -8.462 -4.417 17.803) 20.201 8.572 ( -4.882 5.573 -0.624) 7.435 9.882 ( 10.810 -0.903 -11.577) 15.865 18.574 ( 1.497 -1.292 1.156) 2.290 18.968 ( -3.522 -3.018 -1.177) 4.785 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 0.000 3.773 9.405) 10.134 1.476 ( 0.000 -5.723 8.854) 10.543 2.364 ( 0.000 -2.267 11.200) 11.427 2.767 ( -0.000 14.911 -16.254) 22.057 4.096 ( -0.000 5.689 0.261) 5.695 4.424 ( -0.000 12.028 -5.842) 13.372 6.925 ( -0.000 3.235 -0.183) 3.240 8.246 ( 0.000 -0.185 2.762) 2.768 8.489 ( 0.000 13.127 19.907) 23.845 8.937 ( -0.000 15.948 -29.309) 33.367 18.691 ( 0.000 -4.241 2.434) 4.890 19.971 ( 0.000 -22.922 11.931) 25.842 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 0.854 -1.278 6.983) 7.151 1.486 ( 4.800 -3.690 7.627) 9.738 2.378 ( 0.650 -3.410 10.712) 11.261 2.935 ( 8.181 15.900 -14.112) 22.779 3.964 ( -4.342 -14.143 -5.576) 15.810 4.668 ( 0.768 28.447 -0.109) 28.457 6.977 ( 2.092 3.133 0.000) 3.767 8.274 ( 2.044 0.805 2.833) 3.585 8.627 ( -1.279 6.559 10.753) 12.661 9.070 ( 4.045 17.392 -17.580) 25.058 18.658 ( -0.744 -2.335 1.527) 2.887 19.754 ( -3.332 -21.070 9.175) 23.221 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -0.213 -4.607 4.122) 6.185 1.583 ( 5.017 -1.451 5.049) 7.264 2.393 ( 1.365 -4.014 8.706) 9.683 3.275 ( 15.669 17.556 -10.002) 25.569 3.701 ( -7.153 -12.851 -4.864) 15.491 4.946 ( 0.959 22.402 0.539) 22.429 7.054 ( 3.029 2.856 0.191) 4.167 8.352 ( 3.707 2.260 2.689) 5.107 8.682 ( -0.779 3.824 3.473) 5.224 9.253 ( 3.710 13.122 -8.172) 15.897 18.629 ( -1.005 -1.193 0.664) 1.695 19.510 ( -5.001 -17.577 6.093) 19.263 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 0.210 -3.763 1.556) 4.078 1.650 ( 2.481 -0.674 2.257) 3.421 2.404 ( 1.504 -3.543 4.943) 6.265 3.430 ( -7.119 -9.248 -4.168) 12.393 3.746 ( 17.029 19.262 -3.755) 25.983 5.142 ( 0.872 12.746 0.369) 12.781 7.134 ( 2.824 2.618 0.200) 3.856 8.447 ( 2.527 2.685 2.461) 4.433 8.710 ( -0.784 2.910 1.478) 3.357 9.399 ( 3.975 7.387 -4.553) 9.544 18.601 ( -1.141 -0.988 0.170) 1.519 19.281 ( -5.084 -12.981 3.061) 14.273 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 0.640 -1.280 -0.741) 1.611 1.679 ( 0.753 0.165 0.355) 0.849 2.406 ( 0.532 -1.821 0.686) 2.017 3.230 ( -4.953 -6.533 -0.670) 8.225 4.214 ( 11.853 22.726 -0.580) 25.638 5.232 ( 1.590 1.026 -0.517) 1.961 7.203 ( 1.923 2.605 -0.203) 3.244 8.482 ( -1.634 -0.244 2.880) 3.320 8.722 ( -2.037 2.983 2.208) 4.234 9.526 ( 6.442 3.801 -4.399) 8.678 18.572 ( -0.965 -1.235 0.195) 1.579 19.101 ( -4.057 -8.001 0.610) 8.991 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 0.699 1.878 -2.131) 2.925 1.685 ( -0.427 0.878 -0.923) 1.344 2.386 ( -2.063 0.777 -1.750) 2.815 3.136 ( 0.647 -4.571 1.426) 4.832 4.562 ( -1.779 25.250 1.799) 25.376 5.232 ( 5.593 -10.283 -2.223) 11.914 7.251 ( 0.652 2.996 -1.069) 3.247 8.396 ( -5.889 -6.486 5.714) 10.459 8.712 ( -3.750 3.212 2.565) 5.564 9.678 ( 8.658 3.689 -6.013) 11.168 18.550 ( -0.014 -1.413 0.413) 1.472 18.986 ( -2.580 -3.392 -0.420) 4.282 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 0.000 0.677 7.673) 7.703 1.401 ( 0.000 -6.813 7.202) 9.914 2.369 ( 0.000 -4.527 10.433) 11.373 2.955 ( -0.000 13.847 -14.041) 19.720 3.837 ( -0.000 -14.027 -6.047) 15.275 4.952 ( -0.000 27.180 0.561) 27.186 6.988 ( -0.000 2.934 -0.117) 2.936 8.264 ( 0.000 -0.040 3.121) 3.121 8.668 ( -0.000 1.452 -7.180) 7.326 9.226 ( -0.000 20.647 1.583) 20.708 18.650 ( 0.000 -1.376 0.707) 1.547 19.603 ( 0.000 -19.981 7.764) 21.437 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -1.475 -5.341 6.769) 8.748 1.490 ( 5.744 -1.436 6.530) 8.815 2.362 ( 0.671 -4.881 9.511) 10.711 3.140 ( 11.123 13.124 -11.875) 20.904 3.654 ( -3.590 -11.349 -5.428) 13.083 5.193 ( -1.645 22.132 1.262) 22.229 7.034 ( 2.107 2.444 -0.084) 3.228 8.307 ( 3.459 0.499 3.270) 4.786 8.649 ( 1.764 -0.384 -13.467) 13.587 9.424 ( -2.057 17.256 8.418) 19.310 18.635 ( -0.601 -0.677 -0.111) 0.912 19.418 ( -2.250 -17.100 5.964) 18.249 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -0.444 -4.105 5.910) 7.209 1.589 ( 4.611 -1.269 4.330) 6.452 2.361 ( 1.255 -4.494 7.404) 8.751 3.422 ( -0.386 -3.613 -7.426) 8.267 3.552 ( 15.309 8.514 -4.792) 18.161 5.337 ( -4.318 15.275 1.989) 15.998 7.105 ( 3.206 1.920 0.396) 3.758 8.408 ( 5.054 1.333 2.907) 5.981 8.631 ( 3.864 -2.615 -15.663) 16.343 9.549 ( -4.676 12.881 10.623) 17.339 18.613 ( -1.110 -0.479 -0.685) 1.390 19.234 ( -3.163 -12.986 3.951) 13.937 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 0.504 -1.494 4.329) 4.608 1.653 ( 2.531 -0.619 2.309) 3.481 2.368 ( 1.726 -3.335 4.582) 5.924 3.265 ( -5.829 -4.121 -3.510) 7.955 4.038 ( 24.263 11.935 -3.573) 27.275 5.356 ( -7.660 7.480 2.397) 10.971 7.182 ( 3.110 1.694 0.987) 3.676 8.480 ( 0.916 -1.049 -2.335) 2.719 8.643 ( 7.247 -3.396 -10.494) 13.198 9.610 ( -4.854 9.856 10.133) 14.946 18.583 ( -1.430 -0.601 -0.778) 1.735 19.083 ( -2.822 -8.343 1.957) 9.023 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 0.000 -5.841 9.441) 11.102 1.439 ( 0.000 -0.973 6.350) 6.424 2.338 ( 0.000 -5.326 9.644) 11.017 3.116 ( -0.000 11.020 -11.909) 16.226 3.565 ( -0.000 -8.362 -5.436) 9.974 5.421 ( 0.000 18.164 2.179) 18.294 7.035 ( -0.000 1.879 -0.714) 2.009 8.288 ( 0.000 -0.114 3.921) 3.923 8.566 ( -0.000 -1.514 -18.194) 18.257 9.651 ( 0.000 15.094 12.704) 19.729 18.635 ( -0.000 -0.214 -0.881) 0.907 19.294 ( 0.000 -15.003 5.378) 15.937 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -1.270 -4.112 10.072) 10.953 1.503 ( 5.108 -1.694 5.831) 7.935 2.322 ( 0.696 -5.399 8.457) 10.058 3.283 ( 11.027 8.287 -10.218) 17.166 3.465 ( -1.175 -3.206 -4.397) 5.567 5.559 ( -3.205 12.480 3.190) 13.274 7.070 ( 2.398 1.251 -0.591) 2.769 8.338 ( 4.166 -0.123 3.936) 5.733 8.489 ( 1.410 -3.191 -20.101) 20.402 9.801 ( -3.698 11.743 13.774) 18.474 18.624 ( -0.706 0.124 -1.464) 1.630 19.162 ( -1.355 -11.806 4.355) 12.656 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -0.105 -2.040 8.986) 9.215 1.593 ( 4.517 -1.408 4.473) 6.511 2.314 ( 1.633 -5.202 6.191) 8.250 3.320 ( -4.269 0.037 -5.183) 6.715 3.693 ( 22.079 7.000 -5.154) 23.729 5.577 ( -7.057 6.227 3.901) 10.188 7.136 ( 3.836 0.852 0.727) 3.997 8.403 ( 1.583 -5.592 -19.857) 20.691 8.448 ( 7.144 -0.606 1.994) 7.442 9.862 ( -6.404 9.258 13.663) 17.703 18.603 ( -1.403 0.410 -1.627) 2.187 19.047 ( -1.613 -8.150 2.926) 8.809 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 0.000 -3.768 13.747) 14.255 1.449 ( 0.000 -2.044 5.512) 5.879 2.286 ( 0.000 -6.160 7.622) 9.800 3.224 ( -0.000 7.262 -10.191) 12.514 3.445 ( -0.000 0.224 -4.355) 4.361 5.702 ( 0.000 7.220 4.231) 8.368 7.052 ( -0.000 0.615 -1.575) 1.691 8.311 ( 0.000 -0.687 4.738) 4.787 8.370 ( -0.000 -4.071 -21.144) 21.533 9.988 ( 0.000 9.115 13.997) 16.703 18.629 ( -0.000 0.850 -2.023) 2.194 19.079 ( 0.000 -9.842 4.167) 10.688 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -1.297 -2.852 12.872) 13.248 1.504 ( 5.288 -2.331 6.175) 8.457 2.252 ( 0.926 -6.751 5.174) 8.556 3.332 ( 5.662 4.399 -8.402) 11.045 3.470 ( 4.823 5.223 -3.556) 7.949 5.727 ( -3.806 1.075 4.871) 6.274 7.078 ( 3.061 0.171 -0.913) 3.199 8.245 ( 0.219 -5.615 -21.321) 22.049 8.360 ( 4.153 -1.220 4.102) 5.964 10.084 ( -3.699 6.999 13.681) 15.806 18.627 ( -0.880 1.711 -2.233) 2.948 18.998 ( -0.620 -7.558 3.359) 8.294 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 0.000 -3.744 16.821) 17.233 1.434 ( 0.000 -3.188 5.033) 5.958 2.183 ( 0.000 -7.729 2.210) 8.039 3.260 ( -0.000 2.981 -9.383) 9.845 3.518 ( -0.000 9.134 -2.394) 9.443 5.758 ( 0.000 -5.341 5.360) 7.567 7.042 ( -0.000 -0.183 -1.910) 1.919 8.116 ( -0.000 -6.145 -20.920) 21.804 8.322 ( 0.000 -1.775 5.010) 5.315 10.224 ( 0.000 5.142 13.279) 14.240 18.651 ( -0.000 3.148 -2.611) 4.089 18.942 ( 0.000 -6.723 3.258) 7.471 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 0.000 -0.000 9.870) 9.870 0.362 ( 0.000 -0.000 9.870) 9.870 2.163 ( 0.000 -0.000 45.686) 45.686 2.270 ( -0.000 0.000 -19.716) 19.716 2.270 ( -0.000 0.000 -19.716) 19.716 5.566 ( -0.000 0.000 -17.584) 17.584 6.840 ( -0.000 0.000 -3.456) 3.456 6.840 ( -0.000 0.000 -3.456) 3.456 8.183 ( 0.000 -0.000 5.333) 5.333 8.183 ( 0.000 -0.000 5.333) 5.333 19.432 ( -0.000 0.000 -1.840) 1.840 21.413 ( 0.000 -0.000 1.768) 1.768 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 15.532 8.968 10.695) 20.882 0.767 ( 21.353 12.328 11.270) 27.110 2.122 ( -2.588 -1.494 -20.009) 20.231 2.290 ( 1.325 0.765 21.011) 21.067 2.449 ( 13.963 8.061 0.681) 16.137 5.342 ( -11.810 -6.818 -12.157) 18.269 6.861 ( 1.752 1.012 -3.784) 4.291 7.040 ( 14.750 8.516 -2.656) 17.238 8.200 ( 0.197 0.114 5.141) 5.146 8.377 ( 14.928 8.618 -7.069) 18.630 19.298 ( -10.189 -5.882 -0.130) 11.766 21.179 ( -18.101 -10.451 11.805) 24.005 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 17.436 10.066 14.402) 24.754 1.196 ( 11.082 6.398 12.885) 18.160 2.010 ( -0.957 -0.553 -20.174) 20.204 2.398 ( 1.834 1.059 18.746) 18.866 2.914 ( 25.900 14.954 -1.589) 29.949 4.995 ( -14.703 -8.489 -8.719) 19.085 6.892 ( 2.045 1.181 -3.700) 4.389 7.380 ( 12.918 7.458 6.830) 16.405 8.229 ( 0.851 0.491 4.225) 4.337 8.751 ( 20.624 11.907 -23.325) 33.335 19.027 ( -12.094 -6.982 2.945) 14.272 20.779 ( -19.946 -11.516 18.449) 29.510 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 3.747 2.163 9.395) 10.344 1.514 ( 13.064 7.543 18.215) 23.650 1.955 ( 3.672 2.120 -20.183) 20.623 2.500 ( 1.413 0.816 16.929) 17.007 3.590 ( 31.333 18.090 -2.550) 36.270 4.603 ( -16.215 -9.362 -7.897) 20.321 6.928 ( 1.998 1.154 -3.011) 3.793 7.674 ( 8.919 5.149 15.450) 18.568 8.269 ( 1.518 0.876 2.580) 3.119 9.137 ( 20.110 11.611 -28.886) 37.062 18.801 ( -7.987 -4.611 3.794) 9.973 20.387 ( -19.076 -11.013 16.247) 27.370 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 1.230 0.710 4.306) 4.534 1.693 ( -0.012 -0.007 2.103) 2.103 2.150 ( 15.310 8.839 -1.092) 17.712 2.577 ( 0.920 0.531 11.223) 11.273 4.102 ( -8.127 -4.692 -5.314) 10.785 4.393 ( 21.369 12.337 -3.599) 24.936 6.962 ( 1.677 0.968 -1.792) 2.638 7.900 ( 5.231 3.020 19.492) 20.407 8.314 ( 1.889 1.091 0.415) 2.220 9.476 ( 17.321 10.000 -26.503) 33.203 18.680 ( -3.744 -2.162 2.851) 5.178 20.007 ( -17.648 -10.189 10.910) 23.115 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 0.544 0.314 -0.946) 1.135 1.653 ( -1.858 -1.073 -5.527) 5.929 2.525 ( 14.541 8.395 8.556) 18.845 2.612 ( -0.241 -0.139 1.905) 1.926 3.738 ( -15.250 -8.805 -2.603) 17.801 4.999 ( 25.117 14.501 -2.651) 29.123 6.992 ( 1.202 0.694 -0.317) 1.424 8.053 ( 1.900 1.097 20.464) 20.581 8.355 ( 1.683 0.972 -1.895) 2.714 9.755 ( 13.903 8.027 -21.114) 26.524 18.630 ( -1.524 -0.880 1.751) 2.483 19.652 ( -15.063 -8.697 5.151) 18.140 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 0.124 0.072 -6.458) 6.460 1.585 ( -2.052 -1.185 -6.668) 7.077 2.557 ( -3.917 -2.262 -8.598) 9.715 2.861 ( 11.173 6.451 10.862) 16.866 3.453 ( -8.438 -4.872 4.109) 10.574 5.484 ( 17.064 9.852 -3.522) 20.017 7.016 ( 0.725 0.419 1.044) 1.338 8.133 ( -1.088 -0.628 20.309) 20.348 8.375 ( 0.823 0.475 -3.881) 3.995 9.974 ( 10.505 6.065 -15.916) 20.011 18.610 ( -0.725 -0.419 1.314) 1.558 19.351 ( -11.577 -6.684 0.204) 13.370 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -1.060 -0.612 -12.456) 12.516 1.512 ( -2.279 -1.316 -6.233) 6.766 2.379 ( -7.615 -4.397 -9.981) 13.302 3.112 ( 7.035 4.062 10.845) 13.550 3.391 ( 1.170 0.675 5.814) 5.969 5.750 ( 6.769 3.908 -4.655) 9.098 7.033 ( 0.307 0.177 1.901) 1.934 8.149 ( -3.566 -2.059 20.349) 20.761 8.363 ( -0.428 -0.247 -5.054) 5.078 10.132 ( 7.361 4.250 -12.918) 15.464 18.609 ( 0.358 0.207 1.726) 1.775 19.117 ( -8.258 -4.768 -2.969) 9.987 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 0.000 13.056 10.536) 16.777 0.921 ( 0.000 30.479 13.690) 33.412 2.111 ( -0.000 3.178 -19.810) 20.063 2.249 ( -0.000 7.227 -20.440) 21.680 2.506 ( 0.000 4.535 38.754) 39.018 5.307 ( -0.000 -11.145 -13.998) 17.893 6.809 ( -0.000 0.262 -2.200) 2.215 7.081 ( -0.000 21.638 -4.739) 22.151 8.221 ( 0.000 0.123 4.254) 4.255 8.333 ( -0.000 11.044 -3.488) 11.582 19.298 ( 0.000 -11.201 -0.151) 11.202 21.214 ( 0.000 -18.959 9.592) 21.248 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 15.795 10.807 12.134) 22.661 1.284 ( 3.176 19.502 17.242) 26.224 2.027 ( -5.174 6.791 -20.008) 21.754 2.369 ( 8.148 6.621 -9.763) 14.337 2.775 ( 10.064 13.199 23.290) 28.599 5.063 ( -8.436 -11.928 -11.341) 18.495 6.841 ( 2.911 0.590 -2.256) 3.730 7.364 ( 6.533 21.242 0.786) 22.238 8.239 ( 0.387 0.402 3.890) 3.929 8.526 ( 11.013 12.062 -14.192) 21.637 19.110 ( -6.891 -11.852 1.925) 13.844 20.951 ( -10.613 -19.376 14.085) 26.200 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 12.593 4.105 12.078) 17.925 1.531 ( 3.921 8.956 17.140) 19.732 1.967 ( -3.626 12.398 -18.755) 22.773 2.519 ( 4.027 2.774 5.713) 7.520 3.306 ( 23.078 21.839 5.575) 32.258 4.717 ( -12.558 -12.434 -9.463) 20.046 6.892 ( 2.613 1.569 -2.347) 3.847 7.688 ( 6.114 15.325 11.429) 20.072 8.271 ( 0.830 1.244 2.977) 3.331 8.828 ( 17.057 11.672 -24.465) 32.027 18.886 ( -7.229 -8.354 3.274) 11.523 20.592 ( -14.340 -17.676 14.101) 26.775 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 2.438 -0.685 6.242) 6.736 1.687 ( 1.807 -0.817 4.730) 5.128 2.114 ( 6.050 20.998 -1.674) 21.916 2.611 ( 1.342 2.529 6.136) 6.771 3.968 ( 23.646 17.576 1.466) 29.499 4.340 ( -10.660 -9.297 -8.191) 16.345 6.945 ( 1.880 2.473 -1.874) 3.627 7.950 ( 3.486 9.536 18.464) 21.072 8.311 ( 0.847 2.218 1.392) 2.752 9.163 ( 18.655 10.049 -26.777) 34.147 18.730 ( -4.448 -4.407 2.879) 6.891 20.205 ( -15.388 -15.874 10.335) 24.404 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 0.432 -1.930 0.856) 2.155 1.669 ( -1.912 0.183 -3.879) 4.329 2.449 ( 7.996 10.277 9.331) 16.020 2.683 ( 0.255 10.705 0.091) 10.708 3.881 ( -13.787 -11.625 -2.748) 18.242 4.692 ( 25.859 16.150 -1.930) 30.549 6.993 ( 1.010 3.046 -0.986) 3.357 8.130 ( 0.827 5.252 20.907) 21.572 8.351 ( 0.500 2.894 -0.752) 3.032 9.480 ( 17.275 7.548 -23.218) 29.908 18.653 ( -2.015 -2.011 1.859) 3.400 19.821 ( -14.552 -13.499 5.376) 20.565 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.024 -2.632 -4.552) 5.258 1.619 ( -2.919 1.773 -5.284) 6.292 2.538 ( -0.493 -3.139 -3.658) 4.846 2.916 ( 3.526 20.604 6.998) 22.044 3.559 ( -9.921 -8.720 2.518) 13.447 5.236 ( 21.187 10.360 -2.726) 23.741 7.033 ( 0.115 3.288 0.000) 3.290 8.233 ( -1.723 1.996 21.438) 21.599 8.378 ( -0.229 3.292 -3.038) 4.485 9.748 ( 14.549 4.745 -18.174) 23.759 18.620 ( -0.819 -1.120 1.258) 1.873 19.476 ( -12.150 -10.441 0.742) 16.037 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -0.538 -2.961 -9.441) 9.909 1.566 ( -3.676 2.882 -5.992) 7.597 2.420 ( -5.474 -3.417 -9.716) 11.664 3.177 ( 1.377 15.186 9.586) 18.011 3.412 ( -1.976 -1.860 5.534) 6.164 5.597 ( 13.059 3.781 -3.965) 14.161 7.062 ( -0.689 3.199 0.736) 3.355 8.265 ( -3.739 -0.675 21.228) 21.566 8.384 ( -1.582 3.389 -4.177) 5.607 9.952 ( 11.355 2.197 -14.490) 18.540 18.608 ( 0.060 -0.719 1.472) 1.639 19.199 ( -9.027 -7.182 -2.536) 11.811 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 0.000 12.989 12.549) 18.061 1.486 ( 0.000 9.653 18.015) 20.438 2.160 ( -0.000 14.274 -13.175) 19.425 2.282 ( -0.000 10.796 -21.128) 23.727 2.932 ( 0.000 17.043 25.375) 30.567 4.963 ( -0.000 -14.025 -11.889) 18.386 6.819 ( -0.000 1.765 -0.963) 2.010 7.561 ( -0.000 26.780 0.284) 26.782 8.246 ( 0.000 -0.206 3.148) 3.155 8.506 ( -0.000 11.227 -13.127) 17.274 19.046 ( 0.000 -13.134 2.293) 13.333 20.872 ( 0.000 -22.547 13.090) 26.072 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 10.441 7.957 12.942) 18.434 1.590 ( 1.076 0.316 12.203) 12.255 2.167 ( -6.393 17.021 -11.175) 21.341 2.453 ( 7.888 7.356 -7.459) 13.114 3.301 ( 9.306 26.238 13.348) 30.874 4.714 ( -6.749 -14.779 -10.765) 19.490 6.860 ( 2.288 2.259 -0.820) 3.318 7.855 ( 1.419 23.682 7.677) 24.936 8.273 ( 1.660 0.834 3.225) 3.722 8.634 ( 8.561 10.344 -19.960) 24.056 18.897 ( -3.616 -10.305 2.848) 11.286 20.623 ( -7.029 -22.254 12.163) 26.317 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 4.586 0.533 8.309) 9.505 1.647 ( 3.005 -2.119 6.055) 7.083 2.277 ( 0.514 19.007 0.453) 19.020 2.605 ( 5.012 6.331 -4.078) 9.046 3.831 ( 15.955 24.808 5.864) 30.073 4.381 ( -9.818 -13.210 -9.469) 18.989 6.928 ( 2.629 2.939 -0.877) 4.039 8.101 ( 0.151 14.280 14.216) 20.150 8.339 ( 0.799 4.363 5.301) 6.912 8.868 ( 15.418 9.988 -25.910) 31.762 18.758 ( -3.545 -6.111 2.528) 7.504 20.285 ( -10.782 -20.534 9.315) 24.994 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 0.075 -2.678 2.387) 3.588 1.675 ( 0.491 -0.822 0.317) 1.009 2.472 ( 2.625 4.122 9.637) 10.805 2.798 ( 5.183 21.089 -5.629) 22.434 3.960 ( -10.706 -13.401 -2.442) 17.325 4.459 ( 19.135 19.568 -1.413) 27.406 6.999 ( 2.001 3.649 -0.784) 4.235 8.257 ( 0.549 6.962 12.758) 14.544 8.410 ( -2.019 6.541 8.087) 10.595 9.166 ( 17.471 8.201 -23.818) 30.656 18.671 ( -2.135 -3.023 1.649) 4.052 19.916 ( -12.035 -17.738 5.321) 22.086 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -0.778 -3.299 -2.165) 4.022 1.661 ( -1.475 0.939 -2.261) 2.858 2.508 ( -0.166 -2.660 0.398) 2.695 3.128 ( 3.465 26.799 1.886) 27.088 3.635 ( -9.759 -11.552 0.736) 15.140 4.969 ( 20.038 12.234 -1.728) 23.540 7.062 ( 0.996 4.081 -0.624) 4.247 8.359 ( 0.178 4.069 10.320) 11.094 8.451 ( -4.012 6.244 8.714) 11.447 9.454 ( 16.303 4.730 -18.888) 25.395 18.626 ( -1.029 -1.644 1.001) 2.182 19.562 ( -11.213 -13.963 1.326) 17.957 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -1.157 -2.778 -6.161) 6.856 1.632 ( -2.510 2.247 -3.637) 4.958 2.437 ( -3.376 -2.475 -6.622) 7.834 3.353 ( -3.737 2.764 5.112) 6.909 3.502 ( -1.227 15.183 4.969) 16.023 5.363 ( 16.084 4.083 -2.930) 16.851 7.110 ( -0.104 4.113 -0.573) 4.154 8.413 ( -2.184 1.832 12.651) 12.968 8.459 ( -4.651 5.787 5.078) 8.995 9.690 ( 14.069 1.282 -15.104) 20.682 18.604 ( -0.264 -1.287 1.049) 1.681 19.264 ( -8.964 -9.658 -1.754) 13.294 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 0.000 7.364 13.146) 15.068 1.596 ( 0.000 -3.373 7.167) 7.921 2.383 ( 0.000 6.288 6.960) 9.379 2.395 ( -0.000 14.979 -20.641) 25.503 3.566 ( 0.000 31.641 10.703) 33.402 4.579 ( -0.000 -15.707 -11.025) 19.190 6.863 ( -0.000 2.831 -0.053) 2.831 8.142 ( 0.000 27.286 8.752) 28.655 8.260 ( 0.000 -0.266 2.512) 2.526 8.592 ( -0.000 8.396 -18.564) 20.374 18.835 ( 0.000 -9.178 2.540) 9.523 20.487 ( 0.000 -23.864 10.473) 26.061 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 4.719 2.327 10.715) 11.937 1.590 ( 1.998 -3.907 4.636) 6.383 2.428 ( -0.655 7.308 6.113) 9.550 2.555 ( 6.338 11.940 -13.625) 19.193 3.956 ( 4.434 27.533 7.527) 28.885 4.345 ( -4.813 -11.570 -10.872) 16.590 6.913 ( 2.089 3.117 0.083) 3.753 8.252 ( -0.941 3.772 3.353) 5.134 8.464 ( 0.241 17.285 17.729) 24.762 8.669 ( 8.318 10.479 -25.981) 29.223 18.748 ( -1.632 -6.163 1.970) 6.672 20.234 ( -5.178 -23.098 8.132) 25.029 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -0.103 -2.873 4.150) 5.049 1.634 ( 3.448 -1.852 3.689) 5.378 2.491 ( 0.606 -1.616 9.614) 9.767 2.837 ( 11.817 21.493 -11.305) 27.007 3.971 ( -7.748 -14.573 -2.751) 16.732 4.450 ( 7.562 25.778 -0.672) 26.873 6.991 ( 2.772 3.390 0.036) 4.379 8.306 ( 1.752 3.282 2.593) 4.534 8.597 ( -2.781 7.453 11.332) 13.845 8.924 ( 11.859 14.700 -16.422) 25.028 18.677 ( -1.627 -3.343 1.155) 3.893 19.917 ( -8.144 -20.511 5.098) 22.650 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -1.254 -3.788 0.553) 4.029 1.667 ( 0.841 -0.400 0.811) 1.235 2.490 ( -0.290 -3.265 3.352) 4.688 3.266 ( 11.903 24.263 -3.106) 27.203 3.670 ( -8.373 -12.888 -1.228) 15.418 4.835 ( 10.570 17.531 -0.234) 20.473 7.071 ( 2.290 3.608 -0.114) 4.274 8.388 ( 2.274 3.750 1.631) 4.679 8.643 ( -3.093 5.356 8.579) 10.576 9.203 ( 11.243 9.529 -10.727) 18.229 18.630 ( -1.135 -1.824 0.503) 2.206 19.590 ( -8.944 -16.513 1.961) 18.882 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -1.498 -2.779 -2.147) 3.818 1.668 ( -0.782 0.866 -1.168) 1.651 2.444 ( -1.911 -2.193 -2.319) 3.720 3.398 ( -5.685 -9.075 1.512) 10.815 3.715 ( 6.343 25.480 2.125) 26.343 5.151 ( 11.563 6.785 -1.244) 13.464 7.138 ( 1.203 3.650 -0.456) 3.870 8.458 ( 0.945 3.197 0.846) 3.439 8.659 ( -4.658 4.769 9.769) 11.826 9.430 ( 11.168 3.911 -9.464) 15.152 18.600 ( -0.642 -1.458 0.388) 1.640 19.301 ( -7.942 -11.652 -0.633) 14.115 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 0.000 2.043 11.242) 11.426 1.538 ( 0.000 -5.051 3.085) 5.918 2.482 ( 0.000 -2.079 11.153) 11.345 2.585 ( -0.000 16.912 -18.165) 24.819 4.102 ( 0.000 -7.912 0.329) 7.919 4.365 ( -0.000 24.563 -4.796) 25.026 6.926 ( 0.000 3.169 0.373) 3.191 8.274 ( 0.000 0.009 2.536) 2.536 8.586 ( -0.000 3.829 -17.007) 17.433 8.761 ( 0.000 26.194 11.563) 28.632 18.711 ( 0.000 -4.672 1.267) 4.840 20.068 ( 0.000 -23.276 6.597) 24.193 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -1.042 -2.712 5.798) 6.485 1.552 ( 4.838 -2.476 5.465) 7.707 2.490 ( 0.038 -3.885 9.946) 10.678 2.782 ( 9.975 17.616 -14.343) 24.811 3.911 ( -4.167 -15.516 -4.368) 16.649 4.669 ( 0.984 29.544 0.355) 29.562 6.979 ( 2.127 3.045 0.359) 3.732 8.302 ( 1.877 1.075 2.471) 3.284 8.586 ( 3.364 1.686 -17.069) 17.478 9.054 ( -0.346 22.683 13.115) 26.204 18.669 ( -0.780 -2.805 0.503) 2.955 19.826 ( -3.828 -21.277 4.633) 22.110 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -1.604 -3.934 3.246) 5.346 1.629 ( 3.394 -1.269 3.700) 5.179 2.475 ( -0.356 -4.051 6.241) 7.449 3.179 ( 18.274 17.714 -7.583) 26.556 3.658 ( -6.066 -12.937 -3.278) 14.660 4.954 ( 0.764 22.826 1.133) 22.867 7.057 ( 3.027 2.908 0.407) 4.217 8.376 ( 3.284 2.577 1.726) 4.517 8.611 ( 5.415 -0.753 -14.810) 15.787 9.283 ( -1.764 17.395 12.009) 21.211 18.632 ( -0.985 -1.604 -0.126) 1.886 19.555 ( -5.873 -17.544 2.516) 18.671 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 0.000 -4.827 3.787) 6.136 1.482 ( 0.000 -0.679 8.825) 8.852 2.483 ( 0.000 -4.927 10.878) 11.942 2.799 ( -0.000 15.554 -15.102) 21.679 3.778 ( -0.000 -14.410 -5.059) 15.273 4.960 ( -0.000 27.769 1.125) 27.792 6.988 ( -0.000 2.611 0.069) 2.612 8.298 ( 0.000 0.341 3.201) 3.219 8.504 ( -0.000 1.300 -20.548) 20.589 9.339 ( 0.000 20.611 16.687) 26.519 18.653 ( -0.000 -1.866 -0.160) 1.873 19.664 ( 0.000 -19.950 3.842) 20.317 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -2.156 -3.648 5.667) 7.076 1.558 ( 4.648 -1.641 6.226) 7.941 2.464 ( -0.437 -4.999 9.291) 10.559 3.015 ( 12.931 14.082 -11.271) 22.194 3.599 ( -3.064 -11.460 -4.790) 12.793 5.210 ( -1.640 22.771 2.061) 22.923 7.034 ( 2.409 2.160 -0.049) 3.236 8.343 ( 3.142 0.935 3.396) 4.720 8.459 ( 2.684 -0.836 -20.807) 20.996 9.563 ( -2.899 16.902 16.382) 23.716 18.631 ( -0.582 -1.146 -0.715) 1.471 19.464 ( -2.677 -16.845 2.818) 17.287 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 0.000 -2.916 7.908) 8.428 1.510 ( 0.000 -1.862 7.158) 7.396 2.450 ( 0.000 -6.082 11.062) 12.624 2.986 ( -0.000 12.337 -12.506) 17.567 3.506 ( -0.000 -8.281 -5.558) 9.974 5.449 ( 0.000 18.947 3.044) 19.190 7.026 ( -0.000 1.423 -0.921) 1.695 8.331 ( 0.000 0.291 4.235) 4.245 8.354 ( -0.000 -1.555 -21.242) 21.299 9.805 ( 0.000 14.135 15.869) 21.252 18.624 ( -0.000 -0.693 -1.169) 1.359 19.337 ( 0.000 -14.612 2.804) 14.879 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 0.000 -0.000 10.097) 10.097 0.468 ( 0.000 -0.000 10.097) 10.097 2.060 ( -0.000 0.000 -19.609) 19.609 2.060 ( -0.000 0.000 -19.609) 19.609 2.613 ( 0.000 -0.000 39.365) 39.365 5.371 ( -0.000 0.000 -19.021) 19.021 6.807 ( -0.000 0.000 -2.658) 2.658 6.807 ( -0.000 0.000 -2.658) 2.658 8.234 ( 0.000 -0.000 4.290) 4.290 8.234 ( 0.000 -0.000 4.290) 4.290 19.414 ( -0.000 0.000 -1.519) 1.519 21.430 ( 0.000 -0.000 1.468) 1.468 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 16.641 9.608 10.365) 21.833 0.897 ( 23.006 13.283 13.424) 29.764 1.921 ( -2.529 -1.460 -17.586) 17.827 2.156 ( 10.854 6.267 -21.289) 24.704 2.770 ( 2.694 1.555 34.774) 34.913 5.194 ( -8.879 -5.126 -15.225) 18.355 6.825 ( 1.552 0.896 -2.981) 3.478 7.011 ( 16.459 9.503 -2.592) 19.182 8.248 ( 0.099 0.057 3.828) 3.830 8.335 ( 7.695 4.443 -1.789) 9.064 19.296 ( -8.968 -5.177 -0.133) 10.356 21.271 ( -13.136 -7.584 6.185) 16.380 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 19.672 11.358 13.032) 26.189 1.342 ( 9.676 5.586 14.834) 18.571 1.814 ( -1.705 -0.984 -15.872) 15.994 2.407 ( 13.660 7.887 -12.760) 20.288 3.042 ( 14.409 8.319 21.161) 26.918 4.887 ( -13.253 -7.651 -11.037) 18.868 6.857 ( 2.083 1.203 -2.922) 3.785 7.439 ( 18.253 10.538 4.485) 21.549 8.266 ( 0.461 0.266 2.764) 2.815 8.560 ( 13.669 7.892 -13.607) 20.839 19.052 ( -11.087 -6.401 2.004) 12.958 20.927 ( -18.129 -10.467 10.110) 23.247 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 1.378 0.796 9.194) 9.331 1.706 ( 3.491 2.015 10.604) 11.344 1.758 ( 14.344 8.282 -9.537) 19.113 2.595 ( 4.107 2.371 1.388) 4.941 3.611 ( 28.394 16.393 5.907) 33.315 4.514 ( -15.516 -8.958 -8.294) 19.743 6.899 ( 2.307 1.332 -2.380) 3.572 7.837 ( 12.364 7.138 15.518) 21.086 8.288 ( 0.865 0.500 1.144) 1.519 8.864 ( 17.815 10.285 -23.071) 30.910 18.835 ( -7.934 -4.581 2.564) 9.514 20.518 ( -19.617 -11.326 8.749) 24.283 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -1.043 -0.602 3.780) 3.968 1.645 ( -1.692 -0.977 -9.573) 9.770 2.223 ( 17.611 10.168 13.286) 24.291 2.635 ( -0.419 -0.242 -0.085) 0.492 4.077 ( -12.544 -7.242 0.297) 14.488 4.355 ( 25.963 14.990 -3.155) 30.145 6.945 ( 2.198 1.269 -1.413) 2.905 8.114 ( 6.047 3.491 21.212) 22.332 8.312 ( 1.083 0.625 -0.820) 1.495 9.209 ( 18.537 10.702 -24.276) 32.365 18.705 ( -4.075 -2.353 1.843) 5.054 20.089 ( -19.024 -10.984 4.795) 22.484 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -1.886 -1.089 -1.613) 2.710 1.575 ( -1.596 -0.922 -8.579) 8.774 2.582 ( -3.061 -1.767 -6.984) 7.827 2.646 ( 14.511 8.378 13.667) 21.623 3.737 ( -13.523 -7.808 2.271) 15.780 4.976 ( 24.638 14.225 -1.792) 28.506 6.990 ( 1.805 1.042 -0.208) 2.095 8.276 ( 1.670 0.964 21.850) 21.935 8.330 ( 0.893 0.516 -2.769) 2.954 9.537 ( 16.114 9.304 -20.177) 27.447 18.646 ( -1.721 -0.994 1.125) 2.284 19.682 ( -16.516 -9.536 0.518) 19.078 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 0.000 13.799 11.415) 17.908 1.068 ( 0.000 35.195 13.752) 37.787 1.900 ( -0.000 1.840 -18.933) 19.022 2.033 ( -0.000 6.613 -19.954) 21.021 2.886 ( 0.000 2.253 31.922) 32.001 5.148 ( -0.000 -8.537 -15.393) 17.602 6.791 ( -0.000 0.638 -1.276) 1.426 7.033 ( -0.000 21.561 -4.104) 21.948 8.260 ( 0.000 -0.096 3.070) 3.072 8.319 ( -0.000 5.494 -0.043) 5.495 19.296 ( 0.000 -9.952 -0.123) 9.953 21.288 ( 0.000 -14.251 4.985) 15.098 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 16.248 11.789 12.758) 23.786 1.473 ( 2.063 21.824 18.332) 28.577 1.822 ( -4.028 5.060 -17.783) 18.923 2.187 ( 14.139 12.230 -20.520) 27.759 3.054 ( 4.146 6.663 24.776) 25.989 4.935 ( -7.186 -10.620 -12.009) 17.568 6.821 ( 2.182 1.184 -1.438) 2.869 7.360 ( 10.419 24.043 -0.996) 26.222 8.273 ( 0.374 0.252 2.525) 2.565 8.424 ( 6.114 6.308 -6.026) 10.653 19.127 ( -6.286 -10.825 1.215) 12.576 21.061 ( -9.369 -16.894 7.230) 20.626 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 10.157 2.619 10.666) 14.959 1.698 ( 2.827 0.343 9.217) 9.647 1.793 ( -1.012 21.919 -8.359) 23.480 2.497 ( 10.827 7.356 -7.738) 15.206 3.411 ( 16.897 17.256 11.543) 26.767 4.617 ( -11.546 -12.055 -8.424) 18.697 6.871 ( 2.210 2.153 -1.623) 3.486 7.798 ( 11.290 18.794 9.348) 23.834 8.296 ( 0.296 1.474 1.752) 2.308 8.615 ( 12.494 7.460 -16.195) 21.773 18.913 ( -6.979 -8.070 1.926) 10.842 20.702 ( -14.376 -17.258 6.853) 23.484 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 0.467 -2.253 3.087) 3.850 1.666 ( -2.638 1.401 -6.476) 7.131 2.181 ( 11.120 20.990 12.834) 26.999 2.622 ( 2.249 1.066 -3.551) 4.336 4.013 ( 23.687 18.126 5.571) 30.342 4.255 ( -11.413 -10.548 -6.779) 16.955 6.928 ( 1.893 2.908 -1.324) 3.714 8.145 ( 5.926 9.661 18.043) 21.307 8.325 ( -0.403 3.379 2.000) 3.947 8.900 ( 18.203 9.387 -23.335) 31.048 18.754 ( -4.593 -4.540 1.483) 6.626 20.279 ( -16.352 -16.249 3.898) 23.380 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -1.290 -3.299 -1.691) 3.926 1.612 ( -3.338 2.549 -6.079) 7.388 2.542 ( 2.592 1.682 4.064) 5.105 2.674 ( 5.159 16.276 2.462) 17.251 3.877 ( -12.626 -11.542 1.779) 17.199 4.676 ( 25.616 16.055 -1.062) 30.250 6.984 ( 1.358 3.248 -0.689) 3.588 8.314 ( 1.886 2.391 3.808) 4.876 8.379 ( -1.359 5.436 16.267) 17.205 9.246 ( 18.892 8.815 -21.031) 29.613 18.668 ( -2.158 -2.145 0.798) 3.146 19.850 ( -15.807 -13.984 0.236) 21.107 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 0.000 13.544 14.334) 19.720 1.655 ( 0.000 1.989 11.755) 11.922 2.021 ( -0.000 28.382 -9.702) 29.995 2.056 ( -0.000 10.423 -21.429) 23.830 3.180 ( 0.000 10.693 19.573) 22.304 4.837 ( -0.000 -12.997 -10.985) 17.017 6.814 ( -0.000 2.015 -0.098) 2.017 7.545 ( -0.000 30.338 -2.806) 30.468 8.274 ( 0.000 -0.269 2.057) 2.075 8.421 ( -0.000 5.760 -3.874) 6.942 19.065 ( 0.000 -12.254 1.294) 12.322 20.973 ( 0.000 -20.571 6.505) 21.575 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 9.323 7.035 14.239) 18.416 1.668 ( 1.045 -2.729 1.769) 3.416 2.043 ( -3.584 20.059 -11.971) 23.633 2.384 ( 9.071 13.560 -3.492) 16.684 3.441 ( 6.607 20.743 10.832) 24.316 4.608 ( -6.013 -14.573 -8.288) 17.811 6.855 ( 1.849 2.590 -0.068) 3.183 7.903 ( 5.810 28.045 1.208) 28.666 8.301 ( 2.167 1.600 1.871) 3.280 8.490 ( 3.717 4.890 -6.971) 9.291 18.919 ( -3.496 -9.995 1.382) 10.678 20.715 ( -7.139 -21.568 5.472) 23.369 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 1.194 -1.047 4.589) 4.856 1.674 ( 1.013 -1.140 0.047) 1.525 2.293 ( 7.683 24.275 1.884) 25.532 2.559 ( 4.171 2.330 -3.429) 5.881 3.897 ( 14.842 24.750 4.698) 29.239 4.295 ( -9.481 -14.753 -5.472) 18.370 6.921 ( 2.235 3.334 -0.308) 4.026 8.211 ( 3.249 9.999 5.359) 11.801 8.429 ( 0.567 12.839 12.522) 17.943 8.624 ( 12.973 6.268 -20.006) 24.654 18.776 ( -3.587 -6.203 0.918) 7.224 20.350 ( -11.474 -20.526 3.048) 23.713 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -1.649 -3.021 -0.735) 3.520 1.663 ( -1.600 0.907 -2.123) 2.809 2.547 ( -0.824 -1.098 1.579) 2.092 2.758 ( 10.608 24.181 1.094) 26.428 3.952 ( -10.449 -14.568 0.724) 17.943 4.448 ( 19.434 20.317 -0.430) 28.118 6.993 ( 1.807 3.929 -0.414) 4.344 8.317 ( 2.042 3.400 0.860) 4.058 8.556 ( -3.174 7.724 15.848) 17.914 8.943 ( 17.747 11.190 -17.018) 27.015 18.681 ( -2.200 -3.164 0.291) 3.865 19.944 ( -13.068 -17.814 0.053) 22.093 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.000 5.977 15.497) 16.610 1.627 ( -0.000 -3.421 -1.093) 3.592 2.171 ( -0.000 16.280 -21.770) 27.184 2.463 ( 0.000 10.196 8.561) 13.314 3.664 ( 0.000 28.407 6.321) 29.102 4.477 ( -0.000 -16.193 -7.195) 17.719 6.867 ( 0.000 2.895 0.720) 2.983 8.141 ( -0.000 29.039 -9.512) 30.557 8.282 ( 0.000 -0.059 1.603) 1.604 8.521 ( 0.000 6.719 5.617) 8.757 18.854 ( 0.000 -9.091 0.889) 9.134 20.564 ( 0.000 -23.450 4.118) 23.809 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 1.037 -0.128 8.226) 8.292 1.617 ( 3.293 -2.418 1.822) 4.473 2.343 ( 8.197 20.193 -16.331) 27.233 2.556 ( 0.088 1.679 7.708) 7.889 4.029 ( 4.648 30.273 4.306) 30.929 4.245 ( -4.785 -15.818 -6.130) 17.626 6.917 ( 1.866 3.173 0.697) 3.747 8.265 ( -0.196 5.065 -2.200) 5.526 8.421 ( 9.193 9.207 -18.816) 22.877 8.671 ( -1.325 17.705 20.371) 27.022 18.760 ( -1.646 -6.278 0.282) 6.496 20.288 ( -5.580 -22.891 2.182) 23.662 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 0.000 0.037 12.093) 12.093 1.545 ( -0.000 -3.447 -1.423) 3.729 2.393 ( -0.000 18.806 -17.899) 25.963 2.588 ( 0.000 -1.418 8.117) 8.240 4.093 ( -0.000 -17.608 -1.872) 17.707 4.337 ( -0.000 33.438 -0.175) 33.438 6.933 ( 0.000 2.947 0.912) 3.085 8.298 ( 0.000 0.502 1.860) 1.927 8.347 ( -0.000 7.574 -23.176) 24.382 8.965 ( 0.000 22.164 22.011) 31.237 18.717 ( 0.000 -4.819 -0.328) 4.830 20.109 ( 0.000 -22.914 1.054) 22.939 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 0.000 -0.000 8.604) 8.604 0.568 ( 0.000 -0.000 8.604) 8.604 1.872 ( -0.000 0.000 -15.498) 15.498 1.872 ( -0.000 0.000 -15.498) 15.498 2.977 ( 0.000 -0.000 28.761) 28.761 5.180 ( -0.000 0.000 -16.448) 16.448 6.785 ( -0.000 0.000 -1.648) 1.648 6.785 ( -0.000 0.000 -1.648) 1.648 8.271 ( 0.000 -0.000 2.753) 2.753 8.271 ( 0.000 -0.000 2.753) 2.753 19.400 ( -0.000 0.000 -0.989) 0.989 21.443 ( 0.000 -0.000 0.960) 0.960 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 17.298 9.987 6.115) 20.889 1.044 ( 26.149 15.097 14.087) 33.319 1.772 ( -1.847 -1.066 -9.673) 9.905 1.934 ( 8.797 5.079 -20.015) 22.445 3.081 ( 1.445 0.834 23.099) 23.159 5.042 ( -7.021 -4.053 -12.396) 14.812 6.799 ( 1.322 0.763 -1.895) 2.433 6.990 ( 16.994 9.811 -1.359) 19.669 8.279 ( -0.010 -0.006 2.097) 2.097 8.327 ( 4.166 2.405 -0.160) 4.813 19.295 ( -8.156 -4.709 -0.067) 9.418 21.317 ( -10.686 -6.170 2.817) 12.657 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 19.400 11.201 -1.150) 22.431 1.505 ( 6.709 3.873 15.728) 17.532 1.725 ( -0.056 -0.032 1.883) 1.884 2.228 ( 21.336 12.319 -18.877) 31.037 3.246 ( 8.786 5.072 14.478) 17.679 4.784 ( -11.950 -6.899 -7.246) 15.585 6.832 ( 2.033 1.174 -1.883) 3.009 7.478 ( 22.932 13.240 3.249) 26.679 8.286 ( 0.125 0.072 1.047) 1.057 8.455 ( 7.832 4.522 -6.709) 11.260 19.068 ( -10.459 -6.038 0.981) 12.117 20.999 ( -17.062 -9.851 3.940) 20.092 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 3.587 2.071 -17.495) 17.979 1.582 ( -1.122 -0.648 6.832) 6.954 1.942 ( 15.152 8.748 21.481) 27.705 2.554 ( 8.022 4.632 -7.617) 11.993 3.675 ( 25.143 14.516 3.998) 29.307 4.451 ( -14.917 -8.612 -2.500) 17.405 6.878 ( 2.470 1.426 -1.552) 3.247 7.999 ( 17.527 10.119 15.277) 25.357 8.292 ( 0.326 0.188 -0.335) 0.504 8.652 ( 13.198 7.620 -17.135) 22.932 18.853 ( -7.867 -4.542 0.931) 9.131 20.575 ( -19.940 -11.513 2.082) 23.119 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.000 15.665 9.737) 18.444 1.186 ( 0.000 40.722 6.811) 41.288 1.744 ( -0.000 -1.596 -8.499) 8.648 1.844 ( -0.000 4.418 -15.084) 15.718 3.152 ( 0.000 1.369 17.435) 17.488 5.007 ( -0.000 -7.220 -10.072) 12.392 6.783 ( -0.000 0.970 -0.300) 1.015 6.999 ( -0.000 20.687 -2.358) 20.821 8.285 ( 0.000 -0.169 1.535) 1.544 8.322 ( 0.000 3.389 0.503) 3.426 19.295 ( 0.000 -9.204 -0.060) 9.204 21.324 ( 0.000 -11.987 2.040) 12.159 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 14.247 15.511 7.387) 22.319 1.616 ( -0.164 20.761 0.776) 20.776 1.719 ( 1.047 0.058 6.671) 6.753 1.975 ( 15.204 16.758 -17.704) 28.730 3.246 ( 2.822 4.755 10.029) 11.452 4.836 ( -6.177 -10.028 -5.563) 13.025 6.811 ( 1.455 1.680 -0.494) 2.277 7.351 ( 13.144 24.707 -0.609) 27.992 8.291 ( 0.260 0.282 0.875) 0.955 8.386 ( 3.060 3.906 -1.570) 5.204 19.136 ( -5.955 -10.290 0.423) 11.896 21.110 ( -8.871 -15.599 2.219) 18.082 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 4.497 6.889 -6.622) 10.561 1.654 ( -2.308 2.489 -0.321) 3.410 1.903 ( 10.337 12.365 14.851) 21.916 2.406 ( 13.039 12.470 -7.192) 19.423 3.492 ( 14.056 14.897 1.979) 20.577 4.564 ( -10.484 -12.106 -0.678) 16.029 6.859 ( 1.783 2.585 -0.768) 3.233 7.878 ( 17.583 21.293 5.571) 28.170 8.308 ( 0.045 2.403 0.504) 2.456 8.491 ( 6.359 3.709 -6.735) 9.978 18.925 ( -6.855 -7.943 0.300) 10.496 20.740 ( -14.603 -16.959 0.586) 22.388 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 0.000 15.996 13.489) 20.924 1.656 ( -0.000 0.311 -10.916) 10.920 1.844 ( -0.000 7.479 -17.776) 19.285 2.045 ( 0.000 32.493 13.686) 35.258 3.308 ( 0.000 8.830 3.456) 9.483 4.758 ( -0.000 -12.917 -2.886) 13.236 6.817 ( 0.000 2.213 0.839) 2.367 7.512 ( -0.000 29.871 -3.234) 30.046 8.288 ( 0.000 -0.139 0.625) 0.641 8.412 ( 0.000 5.344 1.722) 5.614 19.073 ( 0.000 -11.883 0.163) 11.884 21.013 ( 0.000 -19.583 1.218) 19.621 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 0.000 -0.000 3.664) 3.664 0.636 ( 0.000 -0.000 3.664) 3.664 1.753 ( -0.000 0.000 -6.185) 6.185 1.753 ( -0.000 0.000 -6.185) 6.185 3.193 ( 0.000 -0.000 11.140) 11.140 5.050 ( -0.000 0.000 -7.018) 7.018 6.773 ( -0.000 0.000 -0.556) 0.556 6.773 ( -0.000 0.000 -0.556) 0.556 8.291 ( 0.000 -0.000 0.946) 0.946 8.291 ( 0.000 -0.000 0.946) 0.946 19.393 ( -0.000 0.000 -0.342) 0.342 21.450 ( 0.000 -0.000 0.333) 0.333 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.53e-05 3.36e-05 3.36e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 16.035 9.258 -2.932) 18.746 1.174 ( 32.276 18.634 8.793) 38.292 1.739 ( 0.590 0.341 3.907) 3.966 1.760 ( 2.602 1.502 -11.124) 11.523 3.228 ( 1.033 0.596 3.673) 3.861 4.961 ( -6.150 -3.550 -2.010) 7.380 6.785 ( 1.089 0.629 -0.762) 1.470 6.984 ( 17.327 10.004 0.402) 20.011 8.291 ( -0.106 -0.061 0.238) 0.268 8.326 ( 2.803 1.619 -0.154) 3.241 19.295 ( -7.811 -4.510 -0.001) 9.019 21.333 ( -9.877 -5.703 0.329) 11.410 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/40500 10.0 315.615 315.615 798.934 -0.000 0.000 -0.000 3/40500 20.0 196.582 196.582 432.564 -0.000 0.000 -0.000 3/40500 30.0 130.726 130.726 299.285 -0.000 0.000 -0.000 3/40500 40.0 96.188 96.188 221.680 -0.000 0.000 -0.000 3/40500 50.0 73.704 73.704 169.194 -0.000 0.000 -0.000 3/40500 60.0 57.972 57.972 132.516 -0.000 0.000 -0.000 3/40500 70.0 46.794 46.794 106.590 -0.000 0.000 -0.000 3/40500 80.0 38.745 38.745 87.986 -0.000 0.000 -0.000 3/40500 90.0 32.829 32.829 74.350 -0.000 0.000 -0.000 3/40500 100.0 28.376 28.376 64.110 -0.000 0.000 -0.000 3/40500 110.0 24.941 24.941 56.229 -0.000 0.000 -0.000 3/40500 120.0 22.231 22.231 50.022 -0.000 0.000 -0.000 3/40500 130.0 20.048 20.048 45.031 -0.000 0.000 -0.000 3/40500 140.0 18.257 18.257 40.943 -0.000 0.000 -0.000 3/40500 150.0 16.764 16.764 37.539 -0.000 0.000 -0.000 3/40500 160.0 15.502 15.502 34.665 -0.000 0.000 -0.000 3/40500 170.0 14.421 14.421 32.207 -0.000 0.000 -0.000 3/40500 180.0 13.486 13.486 30.082 -0.000 0.000 -0.000 3/40500 190.0 12.668 12.668 28.227 -0.000 0.000 -0.000 3/40500 200.0 11.948 11.948 26.594 -0.000 0.000 -0.000 3/40500 210.0 11.308 11.308 25.145 -0.000 0.000 -0.000 3/40500 220.0 10.736 10.736 23.850 -0.000 0.000 -0.000 3/40500 230.0 10.222 10.222 22.686 -0.000 0.000 -0.000 3/40500 240.0 9.756 9.756 21.634 -0.000 0.000 -0.000 3/40500 250.0 9.332 9.332 20.679 -0.000 0.000 -0.000 3/40500 260.0 8.945 8.945 19.807 -0.000 0.000 -0.000 3/40500 270.0 8.590 8.590 19.008 -0.000 0.000 -0.000 3/40500 280.0 8.263 8.263 18.273 -0.000 0.000 -0.000 3/40500 290.0 7.961 7.961 17.594 -0.000 0.000 -0.000 3/40500 300.0 7.681 7.681 16.965 -0.000 0.000 -0.000 3/40500 310.0 7.421 7.421 16.381 -0.000 0.000 -0.000 3/40500 320.0 7.178 7.178 15.837 -0.000 0.000 -0.000 3/40500 330.0 6.951 6.951 15.329 -0.000 0.000 -0.000 3/40500 340.0 6.739 6.739 14.854 -0.000 0.000 -0.000 3/40500 350.0 6.539 6.539 14.408 -0.000 0.000 -0.000 3/40500 360.0 6.351 6.351 13.988 -0.000 0.000 -0.000 3/40500 370.0 6.174 6.174 13.593 -0.000 0.000 -0.000 3/40500 380.0 6.006 6.006 13.220 -0.000 0.000 -0.000 3/40500 390.0 5.848 5.848 12.867 -0.000 0.000 -0.000 3/40500 400.0 5.698 5.698 12.533 -0.000 0.000 -0.000 3/40500 410.0 5.556 5.556 12.217 -0.000 0.000 -0.000 3/40500 420.0 5.420 5.420 11.916 -0.000 0.000 -0.000 3/40500 430.0 5.292 5.292 11.630 -0.000 0.000 -0.000 3/40500 440.0 5.169 5.169 11.357 -0.000 0.000 -0.000 3/40500 450.0 5.052 5.052 11.098 -0.000 0.000 -0.000 3/40500 460.0 4.940 4.940 10.850 -0.000 0.000 -0.000 3/40500 470.0 4.833 4.833 10.613 -0.000 0.000 -0.000 3/40500 480.0 4.731 4.731 10.386 -0.000 0.000 -0.000 3/40500 490.0 4.633 4.633 10.169 -0.000 0.000 -0.000 3/40500 500.0 4.539 4.539 9.961 -0.000 0.000 -0.000 3/40500 510.0 4.449 4.449 9.762 -0.000 0.000 -0.000 3/40500 520.0 4.362 4.362 9.570 -0.000 0.000 -0.000 3/40500 530.0 4.279 4.279 9.386 -0.000 0.000 -0.000 3/40500 540.0 4.199 4.199 9.209 -0.000 0.000 -0.000 3/40500 550.0 4.122 4.122 9.039 -0.000 0.000 -0.000 3/40500 560.0 4.048 4.048 8.875 -0.000 0.000 -0.000 3/40500 570.0 3.976 3.976 8.716 -0.000 0.000 -0.000 3/40500 580.0 3.907 3.907 8.564 -0.000 0.000 -0.000 3/40500 590.0 3.840 3.840 8.416 -0.000 0.000 -0.000 3/40500 600.0 3.775 3.775 8.274 -0.000 0.000 -0.000 3/40500 610.0 3.713 3.713 8.137 -0.000 0.000 -0.000 3/40500 620.0 3.653 3.653 8.004 -0.000 0.000 -0.000 3/40500 630.0 3.594 3.594 7.875 -0.000 0.000 -0.000 3/40500 640.0 3.538 3.538 7.750 -0.000 0.000 -0.000 3/40500 650.0 3.483 3.483 7.630 -0.000 0.000 -0.000 3/40500 660.0 3.430 3.430 7.513 -0.000 0.000 -0.000 3/40500 670.0 3.378 3.378 7.399 -0.000 0.000 -0.000 3/40500 680.0 3.329 3.329 7.289 -0.000 0.000 -0.000 3/40500 690.0 3.280 3.280 7.183 -0.000 0.000 -0.000 3/40500 700.0 3.233 3.233 7.079 -0.000 0.000 -0.000 3/40500 710.0 3.187 3.187 6.978 -0.000 0.000 -0.000 3/40500 720.0 3.143 3.143 6.881 -0.000 0.000 -0.000 3/40500 730.0 3.099 3.099 6.786 -0.000 0.000 -0.000 3/40500 740.0 3.057 3.057 6.693 -0.000 0.000 -0.000 3/40500 750.0 3.017 3.017 6.603 -0.000 0.000 -0.000 3/40500 760.0 2.977 2.977 6.516 -0.000 0.000 -0.000 3/40500 770.0 2.938 2.938 6.430 -0.000 0.000 -0.000 3/40500 780.0 2.900 2.900 6.347 -0.000 0.000 -0.000 3/40500 790.0 2.863 2.863 6.266 -0.000 0.000 -0.000 3/40500 800.0 2.827 2.827 6.188 -0.000 0.000 -0.000 3/40500 810.0 2.792 2.792 6.111 -0.000 0.000 -0.000 3/40500 820.0 2.758 2.758 6.036 -0.000 0.000 -0.000 3/40500 830.0 2.725 2.725 5.962 -0.000 0.000 -0.000 3/40500 840.0 2.692 2.692 5.891 -0.000 0.000 -0.000 3/40500 850.0 2.661 2.661 5.821 -0.000 0.000 -0.000 3/40500 860.0 2.630 2.630 5.753 -0.000 0.000 -0.000 3/40500 870.0 2.599 2.599 5.687 -0.000 0.000 -0.000 3/40500 880.0 2.570 2.570 5.622 -0.000 0.000 -0.000 3/40500 890.0 2.541 2.541 5.558 -0.000 0.000 -0.000 3/40500 900.0 2.512 2.512 5.496 -0.000 0.000 -0.000 3/40500 910.0 2.485 2.485 5.436 -0.000 0.000 -0.000 3/40500 920.0 2.458 2.458 5.376 -0.000 0.000 -0.000 3/40500 930.0 2.431 2.431 5.318 -0.000 0.000 -0.000 3/40500 940.0 2.405 2.405 5.261 -0.000 0.000 -0.000 3/40500 950.0 2.380 2.380 5.206 -0.000 0.000 -0.000 3/40500 960.0 2.355 2.355 5.151 -0.000 0.000 -0.000 3/40500 970.0 2.331 2.331 5.098 -0.000 0.000 -0.000 3/40500 980.0 2.307 2.307 5.046 -0.000 0.000 -0.000 3/40500 990.0 2.284 2.284 4.995 -0.000 0.000 -0.000 3/40500 1000.0 2.261 2.261 4.944 -0.000 0.000 -0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:45:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|