----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:40:48]------------------------- 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 2.089584205678388 1.206422003642805 7.307776363333324 b -2.089584205678384 1.206422003642805 7.307776363333324 c 0.000000000000002 -2.412844007285614 7.307776363333324 Atomic positions (fractional): *1 S 0.73635328323407 0.73635328323407 0.73635328323407 32.065 2 S 0.26364671676593 0.26364671676593 0.26364671676593 32.065 *3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 *4 Pr 0.00000000000000 0.00000000000000 0.00000000000000 140.908 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.179168411356772 0.000000000000000 0.000000000000000 b -2.089584205678386 3.619266010928419 0.000000000000000 c 0.000000000000000 0.000000000000000 21.923329089999996 Atomic positions (fractional): *1 S 0.66666666666667 0.33333333333333 0.06968661656740 32.065 > 1 2 S 0.00000000000000 0.00000000000000 0.26364671676593 32.065 > 2 3 S 0.33333333333333 0.66666666666667 0.40301994990073 32.065 > 1 4 S 0.66666666666667 0.33333333333333 0.59698005009926 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.73635328323407 32.065 > 1 6 S 0.33333333333333 0.66666666666667 0.93031338343260 32.065 > 2 *7 K 0.33333333333333 0.66666666666667 0.16666666666667 39.098 > 3 8 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 3 9 K 0.66666666666667 0.33333333333333 0.83333333333333 39.098 > 3 *10 Pr 0.00000000000000 0.00000000000000 0.00000000000000 140.908 > 4 11 Pr 0.66666666666667 0.33333333333333 0.33333333333333 140.908 > 4 12 Pr 0.33333333333333 0.66666666666667 0.66666666666667 140.908 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.537505234070316 0.000000000000000 0.000000000000000 b -6.268752617035158 10.857798032785258 0.000000000000000 c 0.000000000000000 0.000000000000000 21.923329089999996 Atomic positions (fractional): *1 S 0.22222222222222 0.11111111111111 0.06968661656740 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.06968661656740 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.06968661656740 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.06968661656740 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.06968661656740 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.06968661656740 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.06968661656740 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.06968661656740 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.06968661656740 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.26364671676593 32.065 > 2 11 S 0.33333333333333 0.00000000000000 0.26364671676593 32.065 > 2 12 S 0.66666666666667 0.00000000000000 0.26364671676593 32.065 > 2 13 S 0.00000000000000 0.33333333333333 0.26364671676593 32.065 > 2 14 S 0.33333333333333 0.33333333333333 0.26364671676593 32.065 > 2 15 S 0.66666666666667 0.33333333333333 0.26364671676593 32.065 > 2 16 S 0.00000000000000 0.66666666666667 0.26364671676593 32.065 > 2 17 S 0.33333333333333 0.66666666666667 0.26364671676593 32.065 > 2 18 S 0.66666666666667 0.66666666666667 0.26364671676593 32.065 > 2 19 S 0.11111111111111 0.22222222222222 0.40301994990073 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.40301994990073 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.40301994990073 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.40301994990073 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.40301994990073 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.40301994990073 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.40301994990073 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.40301994990073 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.40301994990073 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.59698005009926 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.59698005009926 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.59698005009926 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.59698005009926 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.59698005009926 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.59698005009926 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.59698005009926 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.59698005009926 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.59698005009926 32.065 > 2 37 S 0.00000000000000 0.00000000000000 0.73635328323407 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.73635328323407 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.73635328323407 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.73635328323407 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.73635328323407 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.73635328323407 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.73635328323407 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.73635328323407 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.73635328323407 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.93031338343260 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.93031338343260 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.93031338343260 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.93031338343260 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.93031338343260 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.93031338343260 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.93031338343260 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.93031338343260 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.93031338343260 32.065 > 2 *55 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 3 56 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 3 57 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 3 58 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 3 59 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 3 60 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 3 61 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 3 62 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 3 63 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 3 64 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 3 65 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 3 66 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 3 67 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 3 68 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 3 69 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 3 70 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 3 71 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 3 72 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 3 73 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 3 74 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 3 75 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 3 76 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 3 77 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 3 78 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 3 79 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 3 80 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 3 81 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 3 *82 Pr 0.00000000000000 0.00000000000000 0.00000000000000 140.908 > 4 83 Pr 0.33333333333333 0.00000000000000 0.00000000000000 140.908 > 4 84 Pr 0.66666666666667 0.00000000000000 0.00000000000000 140.908 > 4 85 Pr 0.00000000000000 0.33333333333333 0.00000000000000 140.908 > 4 86 Pr 0.33333333333333 0.33333333333333 0.00000000000000 140.908 > 4 87 Pr 0.66666666666667 0.33333333333333 0.00000000000000 140.908 > 4 88 Pr 0.00000000000000 0.66666666666667 0.00000000000000 140.908 > 4 89 Pr 0.33333333333333 0.66666666666667 0.00000000000000 140.908 > 4 90 Pr 0.66666666666667 0.66666666666667 0.00000000000000 140.908 > 4 91 Pr 0.22222222222222 0.11111111111111 0.33333333333333 140.908 > 4 92 Pr 0.55555555555556 0.11111111111111 0.33333333333333 140.908 > 4 93 Pr 0.88888888888889 0.11111111111111 0.33333333333333 140.908 > 4 94 Pr 0.22222222222222 0.44444444444444 0.33333333333333 140.908 > 4 95 Pr 0.55555555555556 0.44444444444444 0.33333333333333 140.908 > 4 96 Pr 0.88888888888889 0.44444444444444 0.33333333333333 140.908 > 4 97 Pr 0.22222222222222 0.77777777777778 0.33333333333333 140.908 > 4 98 Pr 0.55555555555556 0.77777777777778 0.33333333333333 140.908 > 4 99 Pr 0.88888888888889 0.77777777777778 0.33333333333333 140.908 > 4 100 Pr 0.11111111111111 0.22222222222222 0.66666666666667 140.908 > 4 101 Pr 0.44444444444444 0.22222222222222 0.66666666666667 140.908 > 4 102 Pr 0.77777777777778 0.22222222222222 0.66666666666667 140.908 > 4 103 Pr 0.11111111111111 0.55555555555556 0.66666666666667 140.908 > 4 104 Pr 0.44444444444444 0.55555555555556 0.66666666666667 140.908 > 4 105 Pr 0.77777777777778 0.55555555555556 0.66666666666667 140.908 > 4 106 Pr 0.11111111111111 0.88888888888889 0.66666666666667 140.908 > 4 107 Pr 0.44444444444444 0.88888888888889 0.66666666666667 140.908 > 4 108 Pr 0.77777777777778 0.88888888888889 0.66666666666667 140.908 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7387433 -0.0000000 0.0000000 0.0000000 5.7387433 0.0000000 0.0000000 0.0000000 4.0971214 -------------------------- Born effective charges -------------------------- 1 S -2.8418089 0.0000000 0.0000000 -0.0000000 -2.8418089 0.0000000 0.0000000 0.0000000 -1.8374084 2 S -2.8418089 0.0000000 0.0000000 -0.0000000 -2.8418089 0.0000000 0.0000000 0.0000000 -1.8374084 3 K 1.0414127 -0.0000000 0.0000000 0.0000000 1.0414127 0.0000000 0.0000000 0.0000000 1.7258346 4 Pr 4.6422052 -0.0000000 0.0000000 0.0000000 4.6422052 0.0000000 0.0000000 0.0000000 1.9489823 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.177 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.187 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:40:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:40:53]------------------------- 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 2.089584205678388 1.206422003642805 7.307776363333324 b -2.089584205678384 1.206422003642805 7.307776363333324 c 0.000000000000002 -2.412844007285614 7.307776363333324 Atomic positions (fractional): 1 S 0.73635328323407 0.73635328323407 0.73635328323407 32.065 2 S 0.26364671676593 0.26364671676593 0.26364671676593 32.065 3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 4 Pr 0.00000000000000 0.00000000000000 0.00000000000000 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.537505234070316 0.000000000000000 0.000000000000000 b -6.268752617035158 10.857798032785258 0.000000000000000 c 0.000000000000000 0.000000000000000 21.923329089999996 Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.06968661656740 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.06968661656740 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.06968661656740 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.06968661656740 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.06968661656740 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.06968661656740 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.06968661656740 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.06968661656740 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.06968661656740 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.26364671676593 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.26364671676593 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.26364671676593 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.26364671676593 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.26364671676593 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.26364671676593 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.26364671676593 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.26364671676593 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.26364671676593 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.40301994990073 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.40301994990073 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.40301994990073 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.40301994990073 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.40301994990073 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.40301994990073 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.40301994990073 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.40301994990073 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.40301994990073 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.59698005009926 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.59698005009926 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.59698005009926 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.59698005009926 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.59698005009926 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.59698005009926 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.59698005009926 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.59698005009926 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.59698005009926 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.73635328323407 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.73635328323407 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.73635328323407 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.73635328323407 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.73635328323407 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.73635328323407 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.73635328323407 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.73635328323407 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.73635328323407 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.93031338343260 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.93031338343260 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.93031338343260 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.93031338343260 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.93031338343260 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.93031338343260 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.93031338343260 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.93031338343260 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.93031338343260 32.065 > 10 55 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 55 56 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 55 57 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 55 58 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 55 59 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 55 60 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 55 61 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 55 62 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 55 63 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 55 64 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 55 65 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 55 66 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 55 67 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 55 68 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 55 69 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 55 70 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 55 71 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 55 72 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 55 73 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 55 74 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 55 75 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 55 76 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 55 77 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 55 78 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 55 79 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 55 80 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 55 81 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 55 82 Pr 0.00000000000000 0.00000000000000 0.00000000000000 140.908 > 82 83 Pr 0.33333333333333 0.00000000000000 0.00000000000000 140.908 > 82 84 Pr 0.66666666666667 0.00000000000000 0.00000000000000 140.908 > 82 85 Pr 0.00000000000000 0.33333333333333 0.00000000000000 140.908 > 82 86 Pr 0.33333333333333 0.33333333333333 0.00000000000000 140.908 > 82 87 Pr 0.66666666666667 0.33333333333333 0.00000000000000 140.908 > 82 88 Pr 0.00000000000000 0.66666666666667 0.00000000000000 140.908 > 82 89 Pr 0.33333333333333 0.66666666666667 0.00000000000000 140.908 > 82 90 Pr 0.66666666666667 0.66666666666667 0.00000000000000 140.908 > 82 91 Pr 0.22222222222222 0.11111111111111 0.33333333333333 140.908 > 82 92 Pr 0.55555555555556 0.11111111111111 0.33333333333333 140.908 > 82 93 Pr 0.88888888888889 0.11111111111111 0.33333333333333 140.908 > 82 94 Pr 0.22222222222222 0.44444444444444 0.33333333333333 140.908 > 82 95 Pr 0.55555555555556 0.44444444444444 0.33333333333333 140.908 > 82 96 Pr 0.88888888888889 0.44444444444444 0.33333333333333 140.908 > 82 97 Pr 0.22222222222222 0.77777777777778 0.33333333333333 140.908 > 82 98 Pr 0.55555555555556 0.77777777777778 0.33333333333333 140.908 > 82 99 Pr 0.88888888888889 0.77777777777778 0.33333333333333 140.908 > 82 100 Pr 0.11111111111111 0.22222222222222 0.66666666666667 140.908 > 82 101 Pr 0.44444444444444 0.22222222222222 0.66666666666667 140.908 > 82 102 Pr 0.77777777777778 0.22222222222222 0.66666666666667 140.908 > 82 103 Pr 0.11111111111111 0.55555555555556 0.66666666666667 140.908 > 82 104 Pr 0.44444444444444 0.55555555555556 0.66666666666667 140.908 > 82 105 Pr 0.77777777777778 0.55555555555556 0.66666666666667 140.908 > 82 106 Pr 0.11111111111111 0.88888888888889 0.66666666666667 140.908 > 82 107 Pr 0.44444444444444 0.88888888888889 0.66666666666667 140.908 > 82 108 Pr 0.77777777777778 0.88888888888889 0.66666666666667 140.908 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7387433 -0.0000000 0.0000000 0.0000000 5.7387433 0.0000000 0.0000000 0.0000000 4.0971214 -------------------------- Born effective charges -------------------------- 1 S -2.8418089 0.0000000 0.0000000 -0.0000000 -2.8418089 0.0000000 0.0000000 0.0000000 -1.8374084 2 S -2.8418089 0.0000000 0.0000000 -0.0000000 -2.8418089 0.0000000 0.0000000 0.0000000 -1.8374084 3 K 1.0414127 -0.0000000 0.0000000 0.0000000 1.0414127 0.0000000 0.0000000 0.0000000 1.7258346 4 Pr 4.6422052 -0.0000000 0.0000000 0.0000000 4.6422052 0.0000000 0.0000000 0.0000000 1.9489823 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zyy) 0.00000000 (zyy) 0.00000000 (zyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:40:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:40:58]------------------------- 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 2.089584205678388 1.206422003642805 7.307776363333324 b -2.089584205678384 1.206422003642805 7.307776363333324 c 0.000000000000002 -2.412844007285614 7.307776363333324 Atomic positions (fractional): 1 S 0.73635328323407 0.73635328323407 0.73635328323407 32.065 2 S 0.26364671676593 0.26364671676593 0.26364671676593 32.065 3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 4 Pr 0.00000000000000 0.00000000000000 0.00000000000000 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.537505234070316 0.000000000000000 0.000000000000000 b -6.268752617035158 10.857798032785258 0.000000000000000 c 0.000000000000000 0.000000000000000 21.923329089999996 Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.06968661656740 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.06968661656740 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.06968661656740 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.06968661656740 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.06968661656740 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.06968661656740 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.06968661656740 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.06968661656740 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.06968661656740 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.26364671676593 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.26364671676593 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.26364671676593 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.26364671676593 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.26364671676593 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.26364671676593 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.26364671676593 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.26364671676593 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.26364671676593 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.40301994990073 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.40301994990073 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.40301994990073 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.40301994990073 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.40301994990073 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.40301994990073 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.40301994990073 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.40301994990073 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.40301994990073 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.59698005009926 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.59698005009926 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.59698005009926 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.59698005009926 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.59698005009926 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.59698005009926 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.59698005009926 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.59698005009926 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.59698005009926 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.73635328323407 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.73635328323407 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.73635328323407 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.73635328323407 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.73635328323407 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.73635328323407 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.73635328323407 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.73635328323407 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.73635328323407 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.93031338343260 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.93031338343260 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.93031338343260 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.93031338343260 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.93031338343260 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.93031338343260 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.93031338343260 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.93031338343260 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.93031338343260 32.065 > 10 55 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 55 56 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 55 57 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 55 58 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 55 59 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 55 60 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 55 61 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 55 62 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 55 63 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 55 64 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 55 65 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 55 66 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 55 67 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 55 68 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 55 69 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 55 70 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 55 71 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 55 72 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 55 73 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 55 74 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 55 75 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 55 76 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 55 77 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 55 78 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 55 79 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 55 80 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 55 81 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 55 82 Pr 0.00000000000000 0.00000000000000 0.00000000000000 140.908 > 82 83 Pr 0.33333333333333 0.00000000000000 0.00000000000000 140.908 > 82 84 Pr 0.66666666666667 0.00000000000000 0.00000000000000 140.908 > 82 85 Pr 0.00000000000000 0.33333333333333 0.00000000000000 140.908 > 82 86 Pr 0.33333333333333 0.33333333333333 0.00000000000000 140.908 > 82 87 Pr 0.66666666666667 0.33333333333333 0.00000000000000 140.908 > 82 88 Pr 0.00000000000000 0.66666666666667 0.00000000000000 140.908 > 82 89 Pr 0.33333333333333 0.66666666666667 0.00000000000000 140.908 > 82 90 Pr 0.66666666666667 0.66666666666667 0.00000000000000 140.908 > 82 91 Pr 0.22222222222222 0.11111111111111 0.33333333333333 140.908 > 82 92 Pr 0.55555555555556 0.11111111111111 0.33333333333333 140.908 > 82 93 Pr 0.88888888888889 0.11111111111111 0.33333333333333 140.908 > 82 94 Pr 0.22222222222222 0.44444444444444 0.33333333333333 140.908 > 82 95 Pr 0.55555555555556 0.44444444444444 0.33333333333333 140.908 > 82 96 Pr 0.88888888888889 0.44444444444444 0.33333333333333 140.908 > 82 97 Pr 0.22222222222222 0.77777777777778 0.33333333333333 140.908 > 82 98 Pr 0.55555555555556 0.77777777777778 0.33333333333333 140.908 > 82 99 Pr 0.88888888888889 0.77777777777778 0.33333333333333 140.908 > 82 100 Pr 0.11111111111111 0.22222222222222 0.66666666666667 140.908 > 82 101 Pr 0.44444444444444 0.22222222222222 0.66666666666667 140.908 > 82 102 Pr 0.77777777777778 0.22222222222222 0.66666666666667 140.908 > 82 103 Pr 0.11111111111111 0.55555555555556 0.66666666666667 140.908 > 82 104 Pr 0.44444444444444 0.55555555555556 0.66666666666667 140.908 > 82 105 Pr 0.77777777777778 0.55555555555556 0.66666666666667 140.908 > 82 106 Pr 0.11111111111111 0.88888888888889 0.66666666666667 140.908 > 82 107 Pr 0.44444444444444 0.88888888888889 0.66666666666667 140.908 > 82 108 Pr 0.77777777777778 0.88888888888889 0.66666666666667 140.908 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7387433 -0.0000000 0.0000000 0.0000000 5.7387433 0.0000000 0.0000000 0.0000000 4.0971214 -------------------------- Born effective charges -------------------------- 1 S -2.8418089 0.0000000 0.0000000 -0.0000000 -2.8418089 0.0000000 0.0000000 0.0000000 -1.8374084 2 S -2.8418089 0.0000000 0.0000000 -0.0000000 -2.8418089 0.0000000 0.0000000 0.0000000 -1.8374084 3 K 1.0414127 -0.0000000 0.0000000 0.0000000 1.0414127 0.0000000 0.0000000 0.0000000 1.7258346 4 Pr 4.6422052 -0.0000000 0.0000000 0.0000000 4.6422052 0.0000000 0.0000000 0.0000000 1.9489823 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zyy) 0.00000000 (zyy) 0.00000000 (zyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 14 ] 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: 0.87, Number of G-points: 313, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/288) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 288 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 2.894 ( 0.000 0.000 0.000) 0.000 2.894 ( 0.000 0.000 0.000) 0.000 4.600 ( 0.000 0.000 0.000) 0.000 5.068 ( 0.000 0.000 0.000) 0.000 5.068 ( 0.000 0.000 0.000) 0.000 6.183 ( 0.000 0.000 0.000) 0.000 6.183 ( 0.000 0.000 0.000) 0.000 6.685 ( 0.000 0.000 0.000) 0.000 7.556 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/288) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 21.437 12.376 -3.093) 24.945 0.511 ( 22.586 13.040 -2.673) 26.217 0.985 ( 40.892 23.609 11.586) 48.619 2.900 ( 0.564 0.325 0.216) 0.686 2.959 ( 4.744 2.739 -1.684) 5.731 4.574 ( -2.544 -1.469 0.667) 3.012 5.095 ( 2.199 1.270 1.045) 2.746 6.159 ( -1.950 -1.126 -0.418) 2.290 6.166 ( -1.709 -0.986 0.310) 1.997 6.657 ( 0.968 0.559 -11.523) 11.577 7.502 ( -4.845 -2.797 1.760) 5.865 8.530 ( -1.769 -1.022 -5.426) 5.798 ======================= Grid point 2 (3/288) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 21.568 12.452 -3.189) 25.108 1.005 ( 21.487 12.406 -4.168) 25.159 1.921 ( 37.952 21.912 8.153) 44.575 2.919 ( 0.965 0.557 0.472) 1.210 3.098 ( 7.729 4.462 -2.215) 9.195 4.493 ( -4.669 -2.695 0.439) 5.409 5.172 ( 3.941 2.275 1.926) 4.941 6.098 ( -4.402 -2.542 0.539) 5.112 6.101 ( -2.709 -1.564 -0.894) 3.253 6.649 ( 0.824 0.476 -4.840) 4.933 7.361 ( -7.896 -4.559 3.252) 9.680 8.433 ( -5.108 -2.949 -6.620) 8.867 ======================= Grid point 3 (4/288) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 20.691 11.946 -3.390) 24.131 1.453 ( 19.035 10.990 -6.074) 22.804 2.735 ( 31.012 17.905 0.921) 35.822 2.945 ( 1.071 0.618 0.826) 1.487 3.293 ( 9.966 5.754 0.773) 11.533 4.372 ( -6.180 -3.568 2.896) 7.701 5.277 ( 4.354 2.514 2.531) 5.628 5.983 ( -5.348 -3.087 0.538) 6.198 6.046 ( -1.369 -0.791 -1.404) 2.115 6.650 ( -0.459 -0.265 -1.101) 1.222 7.177 ( -9.088 -5.247 4.071) 11.256 8.260 ( -7.301 -4.215 -9.419) 12.641 ======================= Grid point 4 (5/288) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 14.957 8.636 -7.559) 18.853 1.864 ( 18.122 10.463 -3.606) 21.234 2.971 ( 0.786 0.454 1.297) 1.583 3.266 ( 16.157 9.328 -7.848) 20.240 3.599 ( 15.631 9.025 5.485) 18.865 4.242 ( -6.458 -3.728 7.709) 10.726 5.370 ( 2.820 1.628 2.613) 4.175 5.887 ( -2.648 -1.529 0.557) 3.108 6.044 ( 1.827 1.055 -1.640) 2.672 6.597 ( -4.255 -2.457 0.021) 4.913 6.976 ( -9.684 -5.591 3.001) 11.578 8.070 ( -5.894 -3.403 -9.709) 11.857 ======================= Grid point 5 (6/288) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 9.692 5.596 -7.299) 13.361 2.219 ( 13.780 7.956 -3.522) 16.297 2.987 ( 0.141 0.082 1.718) 1.726 3.527 ( 10.455 6.036 -4.657) 12.939 3.900 ( 7.514 4.338 -1.097) 8.745 4.153 ( -3.267 -1.886 11.988) 12.567 5.419 ( 0.932 0.538 1.955) 2.231 5.879 ( 1.767 1.020 0.023) 2.040 6.111 ( 4.035 2.330 -1.271) 4.830 6.466 ( -6.993 -4.037 1.505) 8.213 6.753 ( -9.634 -5.562 -1.819) 11.272 7.952 ( -2.140 -1.235 -5.854) 6.354 ======================= Grid point 6 (7/288) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 4.454 2.572 -4.471) 6.815 2.458 ( 7.774 4.488 -2.522) 9.324 2.988 ( -0.417 -0.241 1.520) 1.595 3.731 ( 8.115 4.685 -4.193) 10.266 3.953 ( -0.539 -0.311 6.614) 6.643 4.147 ( -1.426 -0.823 2.087) 2.658 5.435 ( 0.171 0.099 0.976) 0.996 5.943 ( 3.321 1.918 -1.747) 4.214 6.195 ( 3.072 1.774 -0.631) 3.603 6.316 ( -6.323 -3.650 4.624) 8.642 6.559 ( -5.605 -3.236 -5.087) 8.232 7.919 ( -0.120 -0.069 -1.968) 1.973 ======================= Grid point 7 (8/288) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.819 ( -0.000 -0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 -0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.984 ( 0.000 0.000 0.000) 0.000 6.231 ( 0.000 0.000 0.000) 0.000 6.245 ( -0.000 -0.000 0.000) 0.000 6.485 ( 0.000 0.000 0.000) 0.000 7.917 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 16 (9/288) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -0.000 23.803 13.408) 27.319 0.581 ( -0.000 26.209 8.870) 27.669 0.952 ( -0.000 45.674 6.404) 46.121 2.891 ( -0.000 0.299 -1.789) 1.814 2.965 ( -0.000 5.911 -0.616) 5.943 4.570 ( 0.000 -3.813 -0.121) 3.815 5.081 ( -0.000 1.943 -1.857) 2.688 6.164 ( 0.000 -2.198 -0.147) 2.203 6.166 ( 0.000 -1.948 1.052) 2.214 6.597 ( -0.000 5.690 -22.233) 22.950 7.509 ( 0.000 -5.706 3.067) 6.478 8.520 ( -0.000 0.165 -6.773) 6.775 ======================= Grid point 17 (10/288) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 5.967 21.573 9.379) 24.268 0.995 ( 9.164 26.155 0.355) 27.716 1.671 ( 25.599 35.868 8.266) 44.835 2.908 ( 1.855 0.897 -1.480) 2.537 3.051 ( 2.868 7.196 -1.700) 7.931 4.508 ( -1.838 -4.904 -1.310) 5.398 5.136 ( 3.695 2.812 -0.731) 4.701 6.114 ( -1.829 -3.310 -0.424) 3.805 6.130 ( -2.222 -2.863 0.887) 3.731 6.602 ( 2.101 1.820 -11.812) 12.134 7.417 ( -4.093 -7.622 4.175) 9.606 8.461 ( -3.672 -2.276 -5.748) 7.190 ======================= Grid point 18 (11/288) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 14.153 17.564 3.144) 22.775 1.399 ( 10.310 22.500 -2.691) 24.896 2.463 ( 26.464 27.432 2.738) 38.214 2.954 ( 1.329 3.060 -0.114) 3.338 3.197 ( 7.329 6.497 -0.699) 9.819 4.409 ( -3.095 -5.872 0.298) 6.644 5.245 ( 4.613 4.137 0.814) 6.250 6.028 ( -3.602 -4.544 -0.531) 5.823 6.062 ( -2.478 -1.608 0.250) 2.965 6.622 ( 2.062 -0.075 -5.282) 5.671 7.259 ( -6.468 -8.314 4.933) 11.632 8.311 ( -7.170 -4.243 -7.975) 11.533 ======================= Grid point 19 (12/288) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 14.788 13.807 -2.221) 20.353 1.771 ( 10.810 18.519 -3.165) 21.675 2.993 ( 1.994 4.998 -1.066) 5.486 3.070 ( 15.369 15.065 -6.121) 22.375 3.461 ( 13.848 9.848 5.889) 17.984 4.298 ( -3.510 -6.157 4.384) 8.334 5.367 ( 3.328 5.083 1.991) 6.393 5.922 ( -3.527 -3.058 -0.117) 4.670 6.029 ( -0.084 0.205 -0.934) 0.960 6.614 ( -0.711 -2.310 -2.397) 3.404 7.072 ( -7.766 -8.290 4.952) 12.392 8.104 ( -7.333 -4.916 -9.738) 13.144 ======================= Grid point 20 (13/288) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 10.811 8.863 -6.396) 15.374 2.120 ( 10.672 16.159 -2.119) 19.481 3.028 ( -1.583 4.324 0.595) 4.643 3.382 ( 11.839 7.577 -6.573) 15.517 3.810 ( 10.451 8.952 1.746) 13.871 4.211 ( -2.416 -4.754 9.694) 11.064 5.458 ( 0.150 5.710 2.424) 6.205 5.867 ( -0.316 -0.683 -0.342) 0.827 6.062 ( 3.049 1.839 -1.304) 3.792 6.534 ( -4.261 -3.174 -1.213) 5.450 6.853 ( -9.807 -8.244 1.728) 12.927 7.939 ( -2.761 -4.090 -7.397) 8.892 ======================= Grid point 21 (14/288) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 6.812 4.843 -6.017) 10.299 2.416 ( 6.911 13.825 -2.296) 15.626 3.032 ( -2.483 3.117 1.204) 4.163 3.617 ( 9.605 6.030 -4.394) 12.163 3.953 ( 1.767 1.178 0.938) 2.322 4.189 ( -1.467 -1.349 8.433) 8.666 5.503 ( -2.686 6.601 1.900) 7.375 5.891 ( 3.019 0.407 -1.624) 3.452 6.141 ( 4.004 1.375 -0.543) 4.269 6.424 ( -5.948 -1.171 2.479) 6.549 6.606 ( -8.242 -7.034 -4.075) 11.576 7.879 ( 1.407 -3.341 -3.113) 4.779 ======================= Grid point 22 (15/288) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 2.969 1.918 -3.060) 4.675 2.597 ( 0.236 10.792 -1.426) 10.889 3.017 ( -2.464 2.013 1.016) 3.340 3.773 ( 4.730 2.822 -5.215) 7.585 3.979 ( 0.301 -0.341 -0.346) 0.571 4.152 ( -3.182 -0.738 7.518) 8.197 5.516 ( -4.136 7.130 0.960) 8.298 5.943 ( 3.240 -0.496 -1.833) 3.756 6.214 ( 3.189 1.215 0.902) 3.530 6.304 ( -7.187 -1.790 1.253) 7.512 6.474 ( -0.364 -1.743 -2.349) 2.947 7.877 ( 2.412 -3.339 -0.740) 4.185 ======================= Grid point 23 (16/288) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -0.998 -0.749 0.884) 1.529 2.611 ( -8.402 5.716 1.265) 10.240 3.008 ( -1.182 2.782 -0.736) 3.111 3.805 ( -2.483 -2.481 1.670) 3.887 3.905 ( -0.931 -0.945 -13.253) 13.320 4.172 ( -0.855 1.888 9.112) 9.344 5.510 ( -4.652 6.760 -0.083) 8.206 5.961 ( -0.254 -2.556 1.708) 3.085 6.199 ( -1.830 -2.364 -2.204) 3.714 6.288 ( 2.340 4.963 -1.707) 5.747 6.505 ( 4.125 0.358 3.651) 5.520 7.884 ( 2.458 -3.420 0.698) 4.269 ======================= Grid point 24 (17/288) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -5.864 -3.490 4.462) 8.153 2.442 ( -15.097 0.410 2.835) 15.366 3.018 ( -1.511 4.097 -1.625) 4.659 3.638 ( -8.420 -6.029 -0.253) 10.359 3.931 ( 3.295 1.109 -4.151) 5.414 4.140 ( -5.752 -0.531 -0.799) 5.831 5.488 ( -4.829 5.241 -1.132) 7.216 5.903 ( -2.686 -2.399 0.711) 3.671 6.145 ( -2.303 -2.678 0.311) 3.545 6.399 ( 5.090 5.906 -2.569) 8.209 6.644 ( 8.730 2.208 3.516) 9.667 7.912 ( 3.868 -2.331 3.388) 5.646 ======================= Grid point 25 (18/288) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -12.775 -6.281 6.209) 15.530 2.145 ( -18.758 -2.155 2.829) 19.092 3.017 ( -2.893 4.149 -1.542) 5.288 3.434 ( -9.412 -6.255 3.665) 11.881 3.806 ( -17.786 -5.384 1.085) 18.615 4.114 ( 7.201 1.493 -9.731) 12.197 5.436 ( -5.279 2.695 -1.953) 6.241 5.868 ( 0.356 0.265 -0.303) 0.537 6.075 ( -2.854 -1.838 1.220) 3.607 6.535 ( 5.465 3.136 -1.019) 6.383 6.841 ( 10.120 2.949 -0.577) 10.556 8.010 ( 6.927 0.430 6.773) 9.698 ======================= Grid point 26 (19/288) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -20.405 -8.773 4.423) 22.647 1.806 ( -20.397 -1.241 3.764) 20.778 2.991 ( -3.549 2.835 -1.195) 4.697 3.121 ( -26.076 -8.334 4.060) 27.675 3.416 ( -13.548 -6.045 -3.187) 15.174 4.254 ( 8.870 1.588 -4.425) 10.039 5.346 ( -6.072 0.315 -2.075) 6.425 5.920 ( 4.306 1.971 -0.475) 4.760 6.040 ( -0.181 -0.419 1.299) 1.377 6.623 ( 2.902 0.488 -0.746) 3.036 7.037 ( 10.244 2.521 -2.202) 10.777 8.188 ( 8.721 2.458 7.129) 11.529 ======================= Grid point 27 (20/288) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -23.067 -7.639 2.311) 24.408 1.430 ( -24.415 0.154 3.380) 24.648 2.436 ( -40.601 -8.757 -2.390) 41.603 2.951 ( -2.862 1.022 -0.784) 3.138 3.207 ( -8.174 -2.845 0.913) 8.703 4.401 ( 7.611 0.904 -1.201) 7.758 5.234 ( -5.826 -0.617 -1.365) 6.016 6.029 ( 5.770 1.640 -0.419) 6.014 6.064 ( 2.421 0.170 0.823) 2.563 6.650 ( 0.896 -0.343 0.346) 1.019 7.227 ( 10.076 1.765 -1.548) 10.346 8.371 ( 7.388 1.912 4.091) 8.659 ======================= Grid point 28 (21/288) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -23.306 0.000 0.000) 23.306 0.995 ( -27.560 0.000 0.000) 27.560 1.628 ( -46.039 0.000 0.000) 46.039 2.915 ( -1.572 0.000 0.000) 1.572 3.059 ( -7.591 0.000 0.000) 7.591 4.514 ( 5.167 -0.000 -0.000) 5.167 5.140 ( -4.219 0.000 0.000) 4.219 6.117 ( 3.150 -0.000 -0.000) 3.150 6.125 ( 4.089 -0.000 -0.000) 4.089 6.663 ( 0.756 -0.000 -0.000) 0.756 7.395 ( 8.470 -0.000 -0.000) 8.470 8.491 ( 4.591 -0.000 -0.000) 4.591 ======================= Grid point 31 (22/288) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -0.000 23.311 11.006) 25.779 1.141 ( -0.000 24.811 7.450) 25.905 1.875 ( -0.000 43.823 4.951) 44.102 2.882 ( -0.000 0.534 -3.192) 3.236 3.110 ( -0.000 8.863 -1.343) 8.964 4.460 ( 0.000 -6.373 -2.569) 6.871 5.124 ( -0.000 3.955 -2.630) 4.749 6.084 ( 0.000 -5.461 -0.860) 5.528 6.127 ( 0.000 -2.706 1.582) 3.135 6.564 ( -0.000 2.375 -12.023) 12.255 7.378 ( 0.000 -9.789 4.494) 10.771 8.457 ( -0.000 -2.955 -4.195) 5.132 ======================= Grid point 32 (23/288) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 0.225 23.733 10.018) 25.762 1.484 ( 6.312 22.050 2.069) 23.029 2.436 ( 13.519 36.683 1.935) 39.143 2.922 ( 4.609 2.013 -1.957) 5.397 3.200 ( 1.173 8.628 -1.454) 8.828 4.373 ( -1.030 -7.513 -1.492) 7.729 5.203 ( 4.600 4.813 -1.525) 6.830 6.012 ( -1.243 -5.937 -1.076) 6.160 6.089 ( -1.874 -1.994 1.360) 3.056 6.564 ( 1.818 0.474 -8.074) 8.290 7.263 ( -3.112 -10.635 4.586) 11.993 8.361 ( -5.328 -4.294 -4.980) 8.464 ======================= Grid point 33 (24/288) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 4.716 20.352 4.790) 21.433 1.804 ( 7.470 19.561 -0.152) 20.940 2.920 ( 10.758 14.771 -6.925) 19.542 3.073 ( 4.235 11.449 -1.542) 12.304 3.374 ( 9.986 12.355 4.432) 16.492 4.276 ( -1.219 -7.884 1.886) 8.198 5.348 ( 5.778 6.036 0.435) 8.368 5.927 ( -1.740 -4.610 -1.195) 5.070 6.049 ( -1.669 0.046 0.571) 1.765 6.567 ( 1.588 -2.255 -4.946) 5.663 7.103 ( -4.882 -10.461 4.721) 12.472 8.168 ( -8.804 -5.231 -6.870) 12.332 ======================= Grid point 34 (25/288) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 5.543 12.871 -2.188) 14.183 2.140 ( 8.420 20.038 1.196) 21.768 3.100 ( 0.967 6.389 -1.563) 6.648 3.247 ( 9.143 8.008 -6.466) 13.767 3.741 ( 10.919 13.701 1.884) 17.621 4.203 ( -0.192 -6.251 6.671) 9.144 5.502 ( 3.638 7.102 2.232) 8.285 5.866 ( -0.930 -1.928 -1.519) 2.625 6.049 ( 0.544 2.304 -0.578) 2.437 6.530 ( -0.575 -3.974 -3.816) 5.539 6.920 ( -6.891 -9.823 4.011) 12.652 7.948 ( -6.978 -5.270 -6.841) 11.102 ======================= Grid point 35 (26/288) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 5.336 7.576 -4.443) 10.277 2.468 ( 6.281 19.122 0.614) 20.136 3.128 ( -3.035 5.486 -0.709) 6.309 3.489 ( 11.358 6.255 -2.407) 13.188 3.934 ( 2.698 2.596 -0.898) 3.850 4.207 ( 0.964 -0.623 6.946) 7.040 5.618 ( 0.088 8.103 2.822) 8.581 5.851 ( 0.959 0.024 -2.221) 2.419 6.101 ( 2.362 2.677 -0.975) 3.701 6.466 ( -1.074 -2.395 -2.506) 3.629 6.690 ( -10.178 -8.532 0.943) 13.314 7.812 ( -0.800 -5.106 -3.698) 6.355 ======================= Grid point 36 (27/288) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 3.765 4.225 -3.707) 6.765 2.719 ( 1.840 17.021 -0.240) 17.122 3.111 ( -4.403 3.992 0.660) 5.980 3.700 ( 6.694 4.518 -3.083) 8.644 3.967 ( 1.205 -0.274 1.382) 1.854 4.207 ( -1.947 -1.058 3.977) 4.553 5.682 ( -3.550 9.319 1.920) 10.155 5.878 ( 2.722 0.182 -2.465) 3.677 6.164 ( 3.462 0.837 0.151) 3.564 6.433 ( -10.098 -3.831 1.370) 10.887 6.452 ( 0.291 -1.130 -3.225) 3.430 7.778 ( 3.033 -5.455 -1.073) 6.333 ======================= Grid point 37 (28/288) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 1.003 1.429 -1.636) 2.393 2.842 ( -6.312 13.222 0.691) 14.668 3.075 ( -3.165 3.516 0.516) 4.759 3.783 ( 2.272 0.919 -2.478) 3.486 3.914 ( -5.564 -2.672 -8.722) 10.685 4.225 ( 1.576 1.447 10.181) 10.403 5.693 ( -6.137 8.972 0.472) 10.880 5.921 ( 2.548 -0.832 0.002) 2.681 6.226 ( -1.685 -3.406 -1.236) 3.996 6.271 ( 0.725 2.995 -0.382) 3.105 6.474 ( 0.932 0.996 1.190) 1.810 7.782 ( 3.894 -5.843 -0.059) 7.023 ======================= Grid point 38 (29/288) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -2.574 -1.108 0.862) 2.932 2.746 ( -15.273 5.461 2.433) 16.401 3.097 ( -1.443 7.080 -0.618) 7.252 3.698 ( -7.499 -7.030 -4.384) 11.175 3.849 ( 3.861 1.483 -6.519) 7.720 4.265 ( -4.285 1.809 7.127) 8.511 5.655 ( -7.150 6.468 -0.662) 9.665 5.920 ( -1.254 -2.216 1.482) 2.946 6.158 ( -1.739 0.007 -0.406) 1.786 6.381 ( 3.789 5.233 -2.968) 7.109 6.532 ( 5.848 -0.243 3.656) 6.901 7.802 ( 5.131 -5.049 1.227) 7.302 ======================= Grid point 39 (30/288) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -7.420 -2.764 2.679) 8.359 2.481 ( -19.732 1.277 1.930) 19.867 3.129 ( -3.544 7.579 -0.541) 8.385 3.494 ( -5.988 -7.613 -2.068) 9.904 3.936 ( 5.690 1.147 -2.101) 6.173 4.123 ( -14.292 -0.800 0.309) 14.317 5.576 ( -7.256 3.380 -1.165) 8.089 5.879 ( -1.537 -0.224 0.466) 1.621 6.119 ( -3.360 -0.198 0.740) 3.446 6.477 ( 4.235 2.947 -1.559) 5.390 6.689 ( 9.873 0.903 0.981) 9.963 7.885 ( 8.202 -2.262 3.174) 9.081 ======================= Grid point 40 (31/288) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -15.746 -2.876 2.466) 16.195 2.142 ( -19.938 -0.040 0.971) 19.962 3.108 ( -5.882 4.559 -0.873) 7.493 3.334 ( -6.165 -4.816 1.650) 7.995 3.727 ( -25.975 -2.472 0.353) 26.095 4.090 ( 9.305 0.541 -3.570) 9.981 5.469 ( -7.466 1.199 -0.923) 7.618 5.881 ( 1.536 0.763 -0.087) 1.717 6.061 ( -2.591 -0.304 0.642) 2.687 6.566 ( 4.017 0.686 -0.609) 4.121 6.871 ( 10.349 0.742 -0.612) 10.394 8.051 ( 10.534 0.234 3.107) 10.985 ======================= Grid point 41 (32/288) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -23.076 0.000 0.000) 23.076 1.812 ( -19.880 0.000 0.000) 19.880 3.027 ( -5.212 0.000 0.000) 5.212 3.042 ( -31.565 0.000 0.000) 31.565 3.339 ( -11.216 0.000 0.000) 11.216 4.254 ( 9.545 -0.000 -0.000) 9.545 5.344 ( -7.323 0.000 0.000) 7.323 5.942 ( 4.807 -0.000 -0.000) 4.807 6.041 ( 0.278 -0.000 -0.000) 0.278 6.621 ( 2.353 -0.000 -0.000) 2.353 7.054 ( 10.647 -0.000 -0.000) 10.647 8.239 ( 9.866 -0.000 -0.000) 9.866 ======================= Grid point 46 (33/288) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -0.000 21.490 7.352) 22.713 1.638 ( -0.000 20.921 4.758) 21.455 2.720 ( -0.000 38.338 0.869) 38.348 2.872 ( -0.000 0.726 -3.687) 3.757 3.279 ( -0.000 9.378 -1.298) 9.468 4.296 ( 0.000 -8.513 -0.953) 8.566 5.204 ( -0.000 5.585 -1.692) 5.836 5.957 ( 0.000 -6.090 -0.867) 6.151 6.090 ( 0.000 -1.709 1.159) 2.065 6.525 ( -0.000 -0.243 -7.519) 7.523 7.191 ( 0.000 -11.585 3.819) 12.198 8.351 ( -0.000 -5.083 -3.787) 6.339 ======================= Grid point 47 (34/288) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -0.832 18.530 4.108) 18.998 1.888 ( 5.117 18.892 3.153) 19.825 2.892 ( 3.582 5.143 -4.575) 7.759 3.115 ( 5.412 19.612 -6.134) 21.250 3.415 ( 3.845 16.830 4.068) 17.736 4.211 ( -0.176 -8.354 2.071) 8.609 5.307 ( 5.321 6.185 -0.190) 8.161 5.895 ( -0.550 -4.610 -0.795) 4.710 6.073 ( -0.892 -0.230 0.543) 1.069 6.502 ( 1.067 -2.370 -5.780) 6.338 7.068 ( -2.259 -11.326 3.255) 11.999 8.230 ( -6.071 -5.713 -4.373) 9.414 ======================= Grid point 48 (35/288) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 0.225 11.482 -1.547) 11.588 2.215 ( 7.898 20.585 4.568) 22.517 3.041 ( 9.191 4.546 -2.969) 10.675 3.239 ( 0.390 7.122 -7.165) 10.110 3.739 ( 7.345 17.390 0.989) 18.903 4.158 ( 0.868 -4.499 6.476) 7.933 5.486 ( 6.876 6.885 1.891) 9.913 5.849 ( -0.326 -2.074 -1.547) 2.608 6.069 ( -0.198 1.898 -0.321) 1.935 6.468 ( 0.785 -4.473 -4.716) 6.547 6.919 ( -3.722 -10.414 3.081) 11.480 8.021 ( -9.188 -5.599 -4.861) 11.806 ======================= Grid point 49 (36/288) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 2.349 7.559 -3.115) 8.506 2.563 ( 6.862 20.113 3.937) 21.613 3.206 ( 1.755 5.848 -3.715) 7.147 3.340 ( 9.986 4.141 -0.522) 10.823 3.901 ( 2.442 0.447 -1.541) 2.922 4.219 ( 1.535 5.394 5.201) 7.649 5.659 ( 4.151 6.278 3.431) 8.271 5.838 ( 0.565 0.827 -2.579) 2.767 6.104 ( 1.034 3.646 -1.484) 4.070 6.418 ( 0.907 -4.458 -4.039) 6.083 6.751 ( -6.051 -9.023 2.372) 11.120 7.812 ( -6.566 -4.997 -3.465) 8.949 ======================= Grid point 50 (37/288) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 3.006 5.102 -2.788) 6.545 2.852 ( 3.570 17.743 2.749) 18.306 3.228 ( -3.339 5.426 -1.718) 6.599 3.594 ( 11.346 4.637 1.061) 12.303 3.920 ( 3.365 -3.119 2.014) 5.011 4.254 ( -3.562 2.297 -0.913) 4.336 5.770 ( 1.965 4.278 1.346) 4.896 5.865 ( 0.601 3.377 -0.659) 3.492 6.137 ( 0.125 1.246 -2.190) 2.523 6.411 ( 2.585 -0.715 -3.273) 4.231 6.557 ( -8.175 -5.320 1.746) 9.909 7.693 ( -0.758 -5.188 -1.123) 5.362 ======================= Grid point 51 (38/288) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 1.686 2.827 -1.846) 3.774 3.050 ( -0.360 14.840 1.865) 14.961 3.192 ( -5.867 3.657 0.389) 6.924 3.747 ( 3.016 1.710 -1.150) 3.653 3.967 ( -2.265 0.825 -2.970) 3.825 4.199 ( 2.214 -2.152 3.500) 4.667 5.827 ( 0.378 3.406 -1.473) 3.730 5.904 ( -1.077 3.552 1.572) 4.031 6.140 ( 3.260 -3.528 -0.814) 4.872 6.373 ( -6.285 1.927 -1.383) 6.718 6.482 ( 0.591 1.503 0.548) 1.706 7.658 ( 2.791 -5.977 -0.109) 6.597 ======================= Grid point 52 (39/288) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -0.799 0.695 -0.644) 1.240 3.049 ( -12.263 4.750 1.701) 13.261 3.199 ( -0.555 9.376 1.233) 9.473 3.748 ( -6.188 -5.206 -2.089) 8.352 3.816 ( -2.846 0.804 -7.302) 7.878 4.312 ( 4.177 1.358 6.331) 7.705 5.816 ( -5.589 2.991 -1.079) 6.430 5.909 ( 0.483 -0.787 0.819) 1.234 6.180 ( 2.632 -0.672 1.465) 3.086 6.355 ( 0.828 5.904 -2.068) 6.311 6.496 ( -0.120 0.000 1.093) 1.099 7.664 ( 4.658 -5.445 0.210) 7.168 ======================= Grid point 53 (40/288) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -3.889 -0.533 0.341) 3.940 2.827 ( -17.532 1.537 1.129) 17.635 3.275 ( -2.450 9.723 1.867) 10.199 3.507 ( -7.930 -8.776 -4.604) 12.693 3.846 ( 3.870 0.668 -1.901) 4.363 4.326 ( -6.492 0.812 2.754) 7.099 5.717 ( -6.927 0.858 -0.653) 7.010 5.904 ( -0.905 -0.244 0.523) 1.073 6.194 ( -3.048 1.988 1.122) 3.808 6.437 ( 2.632 2.162 -2.572) 4.268 6.542 ( 7.167 -0.437 1.799) 7.402 7.726 ( 7.520 -2.632 0.735) 8.001 ======================= Grid point 54 (41/288) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -8.190 0.000 0.000) 8.190 2.501 ( -20.999 0.000 0.000) 20.999 3.263 ( -8.443 0.000 0.000) 8.443 3.353 ( -0.930 0.000 0.000) 0.930 3.941 ( 7.251 -0.000 -0.000) 7.251 4.116 ( -18.578 0.000 0.000) 18.578 5.601 ( -7.172 0.000 0.000) 7.172 5.883 ( -1.109 0.000 0.000) 1.109 6.128 ( -4.842 0.000 0.000) 4.842 6.498 ( 4.043 -0.000 -0.000) 4.043 6.699 ( 9.929 -0.000 -0.000) 9.929 7.872 ( 10.350 -0.000 -0.000) 10.350 ======================= Grid point 61 (42/288) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -0.000 13.074 -0.191) 13.076 2.034 ( -0.000 17.297 2.703) 17.507 2.869 ( -0.000 1.362 -2.473) 2.823 3.215 ( -0.000 12.071 -11.057) 16.369 3.600 ( -0.000 23.083 5.422) 23.712 4.148 ( 0.000 -6.026 5.253) 7.994 5.316 ( -0.000 5.893 0.489) 5.913 5.859 ( 0.000 -2.975 -0.264) 2.987 6.081 ( -0.000 0.581 -0.150) 0.600 6.447 ( -0.000 -3.506 -5.021) 6.124 6.985 ( 0.000 -10.805 1.886) 10.968 8.213 ( 0.000 -6.266 -3.630) 7.242 ======================= Grid point 62 (43/288) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -1.806 7.329 -3.939) 8.514 2.279 ( 7.963 16.155 2.342) 18.163 2.930 ( 5.700 2.233 -1.537) 6.312 3.269 ( 0.544 5.729 -9.159) 10.816 3.820 ( 1.541 10.848 1.006) 11.003 4.165 ( 0.875 5.800 9.211) 10.921 5.434 ( 6.314 5.749 1.833) 8.733 5.837 ( -0.373 -0.603 -0.660) 0.968 6.089 ( -0.198 1.859 -0.754) 2.016 6.396 ( 0.482 -4.960 -4.042) 6.416 6.873 ( -1.800 -9.472 1.182) 9.714 8.086 ( -5.903 -6.100 -3.589) 9.216 ======================= Grid point 63 (44/288) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 0.882 4.408 -4.353) 6.257 2.617 ( 10.771 16.328 3.195) 19.820 3.088 ( 10.851 1.866 -1.673) 11.137 3.305 ( 1.017 4.028 -4.212) 5.917 3.860 ( 0.430 -2.817 0.432) 2.882 4.315 ( -0.095 12.800 5.453) 13.914 5.628 ( 7.665 5.384 3.149) 9.883 5.833 ( 0.051 1.658 -2.084) 2.664 6.114 ( 0.998 2.875 -1.128) 3.245 6.340 ( 0.697 -5.470 -3.409) 6.483 6.746 ( -3.324 -8.089 0.955) 8.797 7.891 ( -8.426 -4.837 -2.846) 10.124 ======================= Grid point 64 (45/288) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 3.010 3.510 -2.780) 5.395 2.944 ( 6.810 14.979 3.809) 16.889 3.285 ( 4.553 5.645 -6.022) 9.427 3.402 ( 12.218 0.553 4.509) 13.036 3.833 ( 1.450 -4.834 1.054) 5.155 4.380 ( -5.542 7.075 -0.233) 8.990 5.771 ( 2.372 3.628 1.259) 4.513 5.869 ( 2.190 2.515 -0.295) 3.348 6.157 ( -0.270 2.507 -2.593) 3.617 6.320 ( 4.628 -2.884 -2.076) 5.835 6.609 ( -4.563 -5.993 0.808) 7.576 7.712 ( -6.427 -3.482 -1.197) 7.407 ======================= Grid point 65 (46/288) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 2.630 2.419 -1.418) 3.845 3.159 ( 2.887 10.283 2.969) 11.085 3.315 ( -3.351 4.043 -1.551) 5.476 3.687 ( 9.486 4.207 1.185) 10.445 3.867 ( 10.311 -3.552 2.916) 11.289 4.263 ( -10.892 0.242 -3.547) 11.457 5.820 ( 0.936 2.630 -2.453) 3.717 5.936 ( 2.889 1.014 3.761) 4.849 6.108 ( -3.701 -1.692 -2.719) 4.895 6.419 ( 4.980 2.600 -1.865) 5.920 6.500 ( -3.256 -1.768 1.157) 3.882 7.602 ( -2.324 -3.457 -0.049) 4.166 ======================= Grid point 66 (47/288) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 0.738 0.944 -0.553) 1.319 3.248 ( -7.353 1.600 0.141) 7.526 3.282 ( 1.336 6.204 1.760) 6.586 3.757 ( 0.353 -0.025 -0.064) 0.360 3.966 ( -13.316 1.521 -4.152) 14.031 4.174 ( 12.906 -2.079 2.895) 13.389 5.851 ( 1.293 0.920 -1.392) 2.111 5.964 ( -5.243 0.850 0.975) 5.400 6.069 ( 6.172 -2.265 0.363) 6.584 6.441 ( -2.689 3.436 -0.573) 4.400 6.504 ( 0.585 0.429 0.060) 0.728 7.563 ( 1.588 -2.965 0.086) 3.365 ======================= Grid point 67 (48/288) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -1.508 0.000 0.000) 1.508 3.091 ( -12.119 0.000 0.000) 12.119 3.341 ( 1.099 -0.000 -0.000) 1.099 3.647 ( -13.637 0.000 0.000) 13.637 3.811 ( -0.230 0.000 0.000) 0.230 4.348 ( 5.087 -0.000 -0.000) 5.087 5.830 ( -5.613 0.000 0.000) 5.613 5.903 ( 0.179 -0.000 -0.000) 0.179 6.186 ( 5.982 -0.000 -0.000) 5.982 6.434 ( -0.792 0.000 0.000) 0.792 6.485 ( -0.829 0.000 0.000) 0.829 7.604 ( 4.963 -0.000 -0.000) 4.963 ======================= Grid point 76 (49/288) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -0.000 2.363 -6.529) 6.944 2.311 ( -0.000 10.202 -1.963) 10.389 2.906 ( -0.000 3.153 0.417) 3.180 3.284 ( -0.000 4.288 -7.577) 8.707 3.861 ( 0.000 -0.964 2.084) 2.296 4.310 ( -0.000 16.507 9.211) 18.903 5.430 ( -0.000 4.461 2.211) 4.979 5.845 ( -0.000 1.724 -0.502) 1.796 6.109 ( -0.000 2.576 -1.343) 2.905 6.327 ( 0.000 -5.926 -2.576) 6.462 6.807 ( 0.000 -7.459 -0.077) 7.459 8.065 ( 0.000 -6.210 -3.112) 6.946 ======================= Grid point 77 (50/288) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -0.179 0.073 -6.516) 6.519 2.514 ( 13.249 7.462 -2.208) 15.365 2.979 ( 4.234 3.149 1.035) 5.377 3.310 ( 0.927 3.290 -4.203) 5.417 3.836 ( -0.579 -3.633 2.206) 4.290 4.488 ( -1.289 14.387 6.035) 15.655 5.543 ( 7.201 3.593 2.463) 8.416 5.862 ( -0.816 3.658 -1.386) 3.996 6.128 ( -0.160 2.311 -0.950) 2.504 6.265 ( 0.628 -5.987 -1.745) 6.267 6.725 ( -2.032 -5.505 -0.468) 5.887 7.953 ( -4.970 -5.030 -2.456) 7.485 ======================= Grid point 78 (51/288) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 3.598 0.733 -3.520) 5.087 2.866 ( 18.588 7.504 -0.498) 20.051 3.112 ( 8.537 1.605 0.204) 8.689 3.350 ( 1.486 1.927 -0.778) 2.555 3.795 ( -0.711 -3.121 1.417) 3.500 4.559 ( -5.448 8.104 2.035) 9.975 5.727 ( 8.177 2.748 2.220) 8.907 5.878 ( -1.042 3.759 -2.197) 4.477 6.154 ( 2.271 0.682 0.280) 2.387 6.224 ( 0.948 -3.687 -1.977) 4.290 6.626 ( -3.631 -4.053 -0.343) 5.452 7.801 ( -7.057 -2.816 -1.241) 7.699 ======================= Grid point 79 (52/288) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 4.288 0.935 -1.117) 4.528 3.168 ( 6.335 5.208 1.699) 8.375 3.357 ( 6.740 5.835 -7.236) 11.482 3.413 ( 16.961 -3.221 6.889) 18.587 3.764 ( -0.068 -2.222 0.589) 2.300 4.470 ( -11.015 2.400 -0.674) 11.294 5.842 ( 0.683 3.798 -1.637) 4.192 5.889 ( 1.999 -1.555 1.970) 3.208 6.165 ( -3.323 0.293 -1.478) 3.649 6.284 ( 9.921 -0.556 -0.106) 9.937 6.535 ( -3.035 -1.728 -0.043) 3.493 7.661 ( -6.469 -1.204 -0.216) 6.583 ======================= Grid point 80 (53/288) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 2.685 -0.000 -0.000) 2.685 3.272 ( 3.368 -0.000 -0.000) 3.368 3.350 ( -3.564 0.000 0.000) 3.564 3.753 ( 0.284 -0.000 -0.000) 0.284 3.830 ( 23.237 -0.000 -0.000) 23.237 4.246 ( -15.488 0.000 0.000) 15.488 5.844 ( -0.390 0.000 0.000) 0.390 5.950 ( 5.071 -0.000 -0.000) 5.071 6.079 ( -6.031 0.000 0.000) 6.031 6.445 ( 7.155 -0.000 -0.000) 7.155 6.490 ( -1.836 0.000 0.000) 1.836 7.566 ( -3.437 0.000 0.000) 3.437 ======================= Grid point 92 (54/288) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -0.000 -2.958 -7.008) 7.607 2.424 ( -0.000 3.622 -2.862) 4.616 2.984 ( -0.000 3.306 1.458) 3.613 3.318 ( -0.000 2.281 -2.435) 3.337 3.815 ( 0.000 -3.037 2.027) 3.651 4.648 ( -0.000 10.784 4.725) 11.774 5.511 ( 0.000 2.202 1.930) 2.928 5.912 ( -0.000 5.349 -1.465) 5.546 6.153 ( -0.000 2.391 -1.240) 2.693 6.189 ( 0.000 -7.042 0.209) 7.045 6.700 ( 0.000 -2.942 -0.846) 3.061 7.941 ( 0.000 -4.219 -1.895) 4.625 ======================= Grid point 93 (55/288) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 3.074 -1.223 -3.235) 4.628 2.578 ( 15.189 1.538 -1.683) 15.359 3.045 ( 3.482 1.930 0.927) 4.088 3.339 ( 1.081 1.095 -0.841) 1.754 3.790 ( -0.700 -1.591 0.999) 2.005 4.712 ( -3.336 5.119 2.048) 6.444 5.602 ( 7.581 1.133 1.086) 7.742 5.945 ( -1.903 4.891 -1.730) 5.526 6.116 ( -0.062 -4.560 1.373) 4.763 6.187 ( 1.368 0.261 -1.093) 1.770 6.654 ( -2.686 -1.482 -0.509) 3.110 7.869 ( -3.948 -2.044 -0.892) 4.534 ======================= Grid point 94 (56/288) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 5.193 -0.000 -0.000) 5.193 2.927 ( 23.382 -0.000 -0.000) 23.382 3.139 ( 6.210 -0.000 -0.000) 6.210 3.366 ( 1.416 -0.000 -0.000) 1.416 3.769 ( -1.014 0.000 0.000) 1.014 4.646 ( -7.532 0.000 0.000) 7.532 5.762 ( 8.733 -0.000 -0.000) 8.733 5.919 ( -3.271 0.000 0.000) 3.271 6.135 ( 5.357 -0.000 -0.000) 5.357 6.198 ( -0.395 0.000 0.000) 0.395 6.585 ( -3.864 0.000 0.000) 3.864 7.769 ( -6.326 0.000 0.000) 6.326 ======================= Grid point 109 (57/288) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 0.000 0.000 0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 3.025 ( 0.000 0.000 0.000) 0.000 3.333 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 5.539 ( -0.000 0.000 0.000) 0.000 5.997 ( 0.000 0.000 0.000) 0.000 6.084 ( -0.000 0.000 0.000) 0.000 6.175 ( 0.000 0.000 0.000) 0.000 6.671 ( -0.000 0.000 0.000) 0.000 7.891 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 218 (58/288) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.252 ( 0.000 -0.000 25.530) 25.530 0.252 ( 0.000 -0.000 25.530) 25.530 0.405 ( 0.000 -0.000 41.164) 41.164 2.886 ( -0.000 0.000 -1.621) 1.621 2.886 ( -0.000 0.000 -1.621) 1.621 5.063 ( -0.000 0.000 -0.933) 0.933 5.063 ( -0.000 0.000 -0.933) 0.933 5.156 ( -0.000 0.000 -7.036) 7.036 6.187 ( 0.000 -0.000 0.702) 0.702 6.187 ( 0.000 -0.000 0.702) 0.702 7.574 ( 0.000 -0.000 3.629) 3.629 8.334 ( -0.000 0.000 -0.997) 0.997 ======================= Grid point 219 (59/288) ======================= q-point: ( 0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 16.804 9.702 9.419) 21.568 0.564 ( 16.363 9.447 13.298) 23.105 1.143 ( 36.388 21.009 19.497) 46.321 2.895 ( 0.904 0.522 -1.374) 1.726 2.934 ( 4.629 2.673 -3.214) 6.237 4.578 ( -4.284 -2.473 -0.238) 4.952 5.101 ( 2.760 1.594 0.008) 3.187 6.159 ( -2.244 -1.296 0.322) 2.611 6.168 ( -1.184 -0.683 -0.207) 1.382 6.417 ( 16.915 9.766 -32.734) 38.118 7.538 ( -4.663 -2.692 5.254) 7.523 8.443 ( 0.984 0.568 -10.113) 10.177 ======================= Grid point 220 (60/288) ======================= q-point: ( 0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 19.824 11.446 2.655) 23.045 0.998 ( 18.498 10.680 3.239) 21.604 2.009 ( 34.487 19.911 9.125) 40.855 2.917 ( 1.333 0.770 -1.019) 1.846 3.076 ( 8.515 4.916 -1.964) 10.026 4.487 ( -3.837 -2.216 -1.727) 4.756 5.186 ( 4.444 2.566 0.879) 5.206 6.095 ( -3.053 -1.763 -0.168) 3.529 6.103 ( -4.437 -2.562 0.379) 5.138 6.562 ( 5.658 3.267 -12.382) 14.000 7.409 ( -7.921 -4.573 6.450) 11.192 8.350 ( -5.540 -3.198 -9.801) 11.704 ======================= Grid point 221 (61/288) ======================= q-point: ( 0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 17.116 9.882 -2.786) 19.959 1.412 ( 19.728 11.390 -0.240) 22.781 2.728 ( 26.478 15.287 -2.728) 30.696 2.947 ( 1.482 0.856 -0.507) 1.785 3.317 ( 12.648 7.302 4.351) 15.239 4.393 ( -4.174 -2.410 1.301) 4.993 5.298 ( 4.742 2.738 1.737) 5.745 5.986 ( -5.291 -3.055 0.191) 6.113 6.035 ( -1.714 -0.990 -0.850) 2.154 6.620 ( 1.479 0.854 -4.885) 5.175 7.232 ( -9.483 -5.475 7.080) 13.039 8.155 ( -7.681 -4.434 -11.844) 14.797 ======================= Grid point 222 (62/288) ======================= q-point: ( 0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 14.093 8.137 -6.674) 17.589 1.837 ( 17.575 10.147 -1.919) 20.384 2.978 ( 1.218 0.703 0.185) 1.418 3.182 ( 16.202 9.354 -9.027) 20.773 3.659 ( 13.831 7.985 6.742) 17.335 4.313 ( -3.838 -2.216 6.606) 7.954 5.396 ( 2.863 1.653 2.425) 4.099 5.890 ( -2.662 -1.537 0.151) 3.078 6.029 ( 1.736 1.002 -1.503) 2.505 6.584 ( -3.398 -1.962 -2.675) 4.749 7.014 ( -11.676 -6.741 4.719) 14.284 7.970 ( -4.417 -2.550 -10.283) 11.478 ======================= Grid point 223 (63/288) ======================= q-point: ( 0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 10.196 5.887 -7.811) 14.129 2.188 ( 13.665 7.889 -2.809) 16.027 3.000 ( 0.454 0.262 0.933) 1.070 3.467 ( 11.722 6.768 -7.270) 15.365 3.906 ( 5.988 3.457 1.886) 7.166 4.267 ( -2.935 -1.694 10.968) 11.479 5.441 ( 0.579 0.334 2.390) 2.481 5.875 ( 1.267 0.731 -0.726) 1.633 6.098 ( 4.269 2.465 -1.526) 5.161 6.475 ( -5.038 -2.909 0.375) 5.830 6.735 ( -12.372 -7.143 -1.719) 14.389 7.898 ( -0.177 -0.102 -4.971) 4.975 ======================= Grid point 224 (64/288) ======================= q-point: ( 0.50 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 6.178 3.567 -6.058) 9.359 2.432 ( 8.346 4.819 -2.705) 10.010 3.002 ( -0.577 -0.333 1.296) 1.457 3.668 ( 7.913 4.569 -8.113) 12.220 3.977 ( 0.806 0.465 -0.141) 0.941 4.227 ( -3.944 -2.277 12.162) 12.987 5.448 ( -0.322 -0.186 1.776) 1.815 5.923 ( 2.955 1.706 -2.221) 4.071 6.187 ( 3.393 1.959 -1.061) 4.059 6.364 ( -6.416 -3.704 5.258) 9.084 6.507 ( -4.587 -2.648 -5.593) 7.703 7.901 ( 0.880 0.508 -1.615) 1.908 ======================= Grid point 225 (65/288) ======================= q-point: (-0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 2.309 1.333 -2.292) 3.516 2.540 ( 1.375 0.794 -0.997) 1.874 2.986 ( -0.862 -0.498 0.422) 1.081 3.779 ( 4.799 2.770 -8.441) 10.097 3.919 ( -5.255 -3.034 -6.679) 9.024 4.206 ( -1.617 -0.933 14.778) 14.895 5.442 ( -0.540 -0.312 0.962) 1.146 5.984 ( 2.000 1.155 0.024) 2.310 6.229 ( 0.331 0.191 -0.499) 0.628 6.234 ( -3.356 -1.938 -2.100) 4.408 6.497 ( 2.620 1.513 2.359) 3.837 7.916 ( 0.656 0.379 -0.151) 0.772 ======================= Grid point 226 (66/288) ======================= q-point: (-0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -2.353 -1.358 2.190) 3.489 2.480 ( -6.750 -3.897 1.815) 8.003 2.973 ( -0.103 -0.059 -1.419) 1.424 3.738 ( -7.955 -4.593 -3.861) 9.964 3.864 ( 5.350 3.089 -8.639) 10.620 4.185 ( -4.937 -2.850 8.197) 9.985 5.430 ( -0.759 -0.438 -0.014) 0.876 5.956 ( -4.023 -2.323 0.794) 4.713 6.199 ( -2.715 -1.567 0.109) 3.136 6.275 ( 7.002 4.043 -3.610) 8.855 6.605 ( 5.620 3.245 4.228) 7.746 7.939 ( 1.386 0.800 1.933) 2.509 ======================= Grid point 227 (67/288) ======================= q-point: (-0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -8.607 -4.970 5.555) 11.386 2.255 ( -13.437 -7.758 3.647) 15.938 2.967 ( -0.066 -0.038 -2.275) 2.277 3.550 ( -7.946 -4.588 -0.135) 9.177 3.931 ( -6.886 -3.976 4.913) 9.347 4.040 ( 0.005 0.003 -10.581) 10.581 5.404 ( -1.507 -0.870 -1.183) 2.104 5.875 ( -2.063 -1.191 -0.632) 2.465 6.122 ( -3.682 -2.126 0.819) 4.330 6.447 ( 7.754 4.477 -2.323) 9.250 6.770 ( 7.725 4.460 1.626) 9.067 8.009 ( 3.967 2.290 5.426) 7.101 ======================= Grid point 228 (68/288) ======================= q-point: (-0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -14.913 -8.610 6.835) 18.527 1.905 ( -18.096 -10.448 4.681) 21.413 2.953 ( -0.500 -0.288 -2.281) 2.353 3.329 ( -15.913 -9.187 4.676) 18.960 3.556 ( -17.513 -10.111 -3.109) 20.460 4.169 ( 8.567 4.946 -6.787) 11.997 5.346 ( -3.126 -1.805 -2.289) 4.274 5.880 ( 2.669 1.541 -0.822) 3.190 6.060 ( -1.686 -0.974 1.459) 2.433 6.583 ( 4.598 2.655 -2.763) 5.986 6.957 ( 8.525 4.922 -0.828) 9.878 8.155 ( 6.665 3.848 7.389) 10.669 ======================= Grid point 229 (69/288) ======================= q-point: (-0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -20.755 -11.983 5.860) 24.672 1.519 ( -19.495 -11.255 7.060) 23.592 2.720 ( -34.092 -19.683 -1.527) 39.396 2.931 ( -0.758 -0.438 -2.087) 2.263 3.293 ( -8.346 -4.819 0.256) 9.641 4.341 ( 7.602 4.389 -3.262) 9.364 5.251 ( -4.252 -2.455 -2.773) 5.639 5.976 ( 5.396 3.115 -0.842) 6.287 6.061 ( 1.220 0.705 1.625) 2.151 6.640 ( 1.550 0.895 -3.120) 3.597 7.154 ( 8.879 5.126 -0.623) 10.272 8.334 ( 6.652 3.840 5.513) 9.455 ======================= Grid point 230 (70/288) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -21.565 -12.451 8.088) 26.182 1.066 ( -21.996 -12.700 7.572) 26.504 1.865 ( -39.390 -22.742 -2.729) 45.565 2.908 ( -0.663 -0.383 -1.924) 2.071 3.114 ( -7.592 -4.383 0.710) 8.795 4.481 ( 5.265 3.040 -1.795) 6.339 5.149 ( -3.577 -2.065 -2.549) 4.853 6.092 ( 4.514 2.606 -0.727) 5.263 6.112 ( 2.456 1.418 1.394) 3.160 6.649 ( 0.547 0.316 -4.771) 4.813 7.350 ( 7.992 4.614 1.053) 9.288 8.472 ( 4.208 2.429 1.246) 5.016 ======================= Grid point 233 (71/288) ======================= q-point: ( 0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -0.000 24.850 10.264) 26.886 0.717 ( 0.000 20.114 17.548) 26.692 1.102 ( -0.000 35.324 22.122) 41.679 2.866 ( -0.000 0.020 -3.211) 3.211 2.949 ( -0.000 6.394 -2.493) 6.863 4.568 ( 0.000 -6.863 -0.792) 6.908 5.060 ( -0.000 1.528 -2.259) 2.727 6.164 ( 0.000 -2.647 0.156) 2.652 6.179 ( 0.000 -1.749 1.439) 2.265 6.300 ( -0.000 25.058 -34.294) 42.473 7.554 ( 0.000 -5.613 5.908) 8.149 8.434 ( -0.000 3.835 -9.246) 10.010 ======================= Grid point 234 (72/288) ======================= q-point: ( 0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 1.582 20.185 15.364) 25.417 1.013 ( 6.287 25.258 3.882) 26.316 1.773 ( 24.116 30.724 11.763) 40.792 2.888 ( 2.963 0.747 -2.612) 4.020 3.029 ( 2.630 7.724 -2.502) 8.534 4.487 ( -1.445 -4.980 -3.080) 6.031 5.126 ( 5.007 2.276 -1.227) 5.635 6.111 ( -1.920 -3.989 -0.273) 4.436 6.140 ( -2.494 -2.391 1.121) 3.633 6.451 ( 6.156 8.244 -18.129) 20.845 7.471 ( -3.934 -7.975 6.678) 11.121 8.388 ( -4.373 -0.746 -8.768) 9.826 ======================= Grid point 235 (73/288) ======================= q-point: ( 0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 9.326 17.653 8.294) 21.619 1.383 ( 8.803 22.062 -0.339) 23.756 2.477 ( 23.001 23.048 -0.361) 32.563 2.948 ( 1.836 3.511 -1.300) 4.170 3.202 ( 9.763 7.754 2.111) 12.645 4.404 ( -1.579 -4.817 -1.311) 5.236 5.249 ( 5.674 3.903 0.163) 6.888 6.021 ( -3.158 -4.839 -0.767) 5.830 6.067 ( -3.370 -1.495 0.750) 3.762 6.553 ( 4.711 2.038 -8.445) 9.883 7.320 ( -6.237 -8.967 7.322) 13.150 8.220 ( -8.593 -3.233 -10.456) 13.915 ======================= Grid point 236 (74/288) ======================= q-point: ( 0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 10.537 13.534 -0.139) 17.153 1.750 ( 10.489 19.364 -0.893) 22.041 2.962 ( 11.847 9.714 -5.910) 16.420 3.015 ( 4.756 8.714 -4.268) 10.806 3.528 ( 14.387 9.630 7.467) 18.854 4.335 ( -1.149 -4.684 3.141) 5.756 5.384 ( 4.024 5.136 1.508) 6.697 5.918 ( -3.119 -3.483 -0.592) 4.713 6.022 ( -0.847 0.339 -0.399) 0.996 6.579 ( 0.422 -1.939 -4.744) 5.142 7.131 ( -8.474 -9.353 6.861) 14.366 8.002 ( -7.464 -3.371 -10.860) 13.602 ======================= Grid point 237 (75/288) ======================= q-point: ( 0.43 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 9.050 9.381 -5.552) 14.168 2.105 ( 9.814 17.010 -0.825) 19.656 3.029 ( -0.838 4.148 -0.397) 4.251 3.312 ( 12.747 9.432 -7.534) 17.556 3.835 ( 8.616 6.029 3.195) 10.990 4.299 ( -0.325 -3.873 8.167) 9.045 5.482 ( 0.209 5.760 2.420) 6.251 5.861 ( -0.281 -1.327 -0.936) 1.648 6.050 ( 2.859 2.084 -1.167) 3.725 6.513 ( -2.731 -2.975 -3.026) 5.046 6.873 ( -12.507 -9.356 2.212) 15.775 7.870 ( -1.079 -2.405 -6.411) 6.932 ======================= Grid point 238 (76/288) ======================= q-point: ( 0.50 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 6.962 6.055 -6.390) 11.224 2.397 ( 6.214 14.544 -1.562) 15.893 3.041 ( -1.932 3.057 0.620) 3.669 3.560 ( 8.809 7.327 -6.884) 13.367 3.960 ( 2.234 1.108 0.568) 2.558 4.284 ( -1.314 -3.420 10.219) 10.856 5.524 ( -3.065 6.462 2.324) 7.520 5.872 ( 2.671 -0.189 -2.132) 3.423 6.135 ( 4.296 2.091 -0.819) 4.848 6.445 ( -2.248 -0.748 1.303) 2.704 6.568 ( -11.569 -7.619 -3.217) 14.222 7.853 ( 2.507 -2.443 -2.211) 4.141 ======================= Grid point 239 (77/288) ======================= q-point: ( 0.57 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 4.322 3.263 -4.663) 7.147 2.583 ( 0.575 11.722 -1.395) 11.819 3.027 ( -2.765 1.832 1.077) 3.488 3.703 ( 4.444 4.552 -8.769) 10.833 3.947 ( -3.081 -2.327 -4.015) 5.570 4.270 ( -0.922 -1.757 13.909) 14.050 5.529 ( -4.606 6.806 1.671) 8.386 5.926 ( 4.260 0.121 -1.583) 4.547 6.217 ( 2.950 1.951 -0.279) 3.547 6.305 ( -8.898 -4.308 -1.205) 9.959 6.466 ( 2.207 0.210 0.888) 2.388 7.870 ( 2.878 -2.956 -0.675) 4.181 ======================= Grid point 240 (78/288) ======================= q-point: (-0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 1.067 0.258 -1.488) 1.849 2.621 ( -7.398 6.949 0.825) 10.184 3.003 ( -2.090 2.291 -0.227) 3.109 3.763 ( 0.748 1.299 -14.466) 14.544 3.813 ( -3.204 -3.256 -0.335) 4.581 4.282 ( -3.357 -0.506 12.276) 12.737 5.514 ( -5.135 6.307 0.823) 8.175 5.975 ( 0.285 -2.270 1.223) 2.595 6.174 ( -0.953 -1.827 -2.822) 3.494 6.272 ( 0.885 4.397 -1.628) 4.772 6.542 ( 5.150 0.587 3.819) 6.438 7.890 ( 3.300 -3.017 0.493) 4.498 ======================= Grid point 241 (79/288) ======================= q-point: (-0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -3.806 -3.171 1.949) 5.324 2.471 ( -14.753 0.569 3.084) 15.083 3.002 ( -1.887 4.286 -1.734) 4.994 3.610 ( -5.863 -5.158 -5.509) 9.556 3.879 ( 6.347 2.911 -5.436) 8.849 4.171 ( -12.084 -3.154 6.369) 14.019 5.481 ( -5.359 4.820 -0.143) 7.210 5.905 ( -3.368 -2.349 -0.229) 4.113 6.147 ( -1.558 -2.404 0.091) 2.866 6.374 ( 5.496 6.185 -2.693) 8.701 6.674 ( 7.663 1.422 2.768) 8.271 7.943 ( 5.512 -1.851 2.911) 6.503 ======================= Grid point 242 (80/288) ======================= q-point: (-0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -11.406 -6.796 4.750) 14.101 2.175 ( -18.521 -3.046 3.270) 19.053 2.998 ( -3.050 4.566 -2.282) 5.947 3.449 ( -6.257 -5.466 -0.645) 8.333 3.827 ( -22.936 -7.121 2.595) 24.156 4.032 ( 9.160 3.527 -6.201) 11.611 5.421 ( -5.820 2.640 -1.112) 6.487 5.862 ( 0.155 0.457 -0.768) 0.907 6.086 ( -2.521 -1.776 0.902) 3.213 6.515 ( 5.499 3.627 -2.951) 7.218 6.841 ( 8.987 2.225 0.518) 9.272 8.067 ( 8.328 0.088 4.849) 9.637 ======================= Grid point 243 (81/288) ======================= q-point: (-0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -20.317 -10.473 6.109) 23.660 1.840 ( -19.138 -2.669 3.110) 19.572 2.971 ( -3.844 2.955 -2.991) 5.697 3.149 ( -28.564 -8.887 1.652) 29.960 3.396 ( -11.720 -5.166 -1.136) 12.858 4.217 ( 9.635 3.181 -2.875) 10.545 5.327 ( -6.469 0.895 -1.750) 6.761 5.914 ( 4.252 2.141 -0.888) 4.843 6.053 ( -0.028 -0.717 1.323) 1.505 6.601 ( 2.911 1.440 -3.580) 4.834 7.028 ( 9.954 2.568 0.388) 10.287 8.240 ( 9.000 0.782 3.506) 9.691 ======================= Grid point 244 (82/288) ======================= q-point: (-0.07 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -22.364 -10.585 6.954) 25.701 1.461 ( -23.456 -2.757 2.708) 23.773 2.424 ( -41.275 -7.534 0.187) 41.958 2.939 ( -3.057 1.933 -1.562) 3.940 3.210 ( -7.807 -3.185 -0.423) 8.442 4.388 ( 7.753 2.109 -1.429) 8.161 5.219 ( -6.035 0.633 -1.644) 6.286 6.022 ( 5.705 1.883 -0.977) 6.087 6.076 ( 2.524 -0.410 1.356) 2.894 6.628 ( 0.716 0.856 -4.719) 4.850 7.230 ( 10.179 2.078 1.991) 10.578 8.389 ( 7.098 -0.397 -0.565) 7.131 ======================= Grid point 248 (83/288) ======================= q-point: ( 0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -0.000 23.703 7.549) 24.876 1.221 ( -0.000 20.876 11.748) 23.955 1.953 ( -0.000 39.012 10.064) 40.290 2.846 ( -0.000 0.476 -4.071) 4.099 3.090 ( -0.000 9.101 -2.507) 9.440 4.431 ( 0.000 -6.034 -3.381) 6.917 5.100 ( -0.000 4.043 -2.181) 4.593 6.076 ( 0.000 -5.724 -0.828) 5.783 6.142 ( 0.000 -2.746 1.459) 3.110 6.429 ( -0.000 7.892 -14.916) 16.875 7.433 ( 0.000 -10.541 6.492) 12.380 8.396 ( -0.000 -1.310 -7.908) 8.016 ======================= Grid point 249 (84/288) ======================= q-point: ( 0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -0.159 21.333 11.015) 24.010 1.506 ( 3.875 21.659 2.794) 22.180 2.451 ( 10.458 31.770 0.399) 33.449 2.902 ( 6.166 2.772 -2.236) 7.120 3.190 ( 2.379 9.610 -0.131) 9.900 4.357 ( -0.292 -6.173 -1.854) 6.452 5.190 ( 5.332 5.052 -1.042) 7.419 6.002 ( -1.317 -5.987 -0.825) 6.185 6.101 ( -2.005 -2.154 1.080) 3.135 6.477 ( 3.115 3.174 -9.334) 10.339 7.316 ( -2.833 -11.712 6.275) 13.585 8.295 ( -6.267 -2.876 -8.403) 10.870 ======================= Grid point 250 (85/288) ======================= q-point: ( 0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 1.802 17.300 3.849) 17.815 1.815 ( 6.772 21.338 2.904) 22.574 2.848 ( 10.766 15.749 -7.785) 20.605 3.043 ( 2.909 7.674 -4.386) 9.305 3.430 ( 11.491 12.979 6.680) 18.577 4.294 ( 0.198 -6.015 1.695) 6.253 5.353 ( 6.572 6.489 0.625) 9.257 5.916 ( -1.850 -4.766 -1.049) 5.219 6.053 ( -2.042 -0.234 0.404) 2.095 6.514 ( 2.467 -1.476 -5.901) 6.564 7.157 ( -4.494 -11.747 6.213) 14.028 8.089 ( -9.756 -3.510 -9.136) 13.819 ======================= Grid point 251 (86/288) ======================= q-point: ( 0.43 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 3.640 11.968 -2.124) 12.688 2.161 ( 7.173 21.367 3.112) 22.753 3.080 ( 1.917 6.056 -2.498) 6.826 3.181 ( 10.227 10.606 -6.928) 16.282 3.762 ( 9.401 9.758 2.402) 13.761 4.266 ( 1.381 -4.724 6.000) 7.760 5.525 ( 4.096 7.693 2.262) 9.004 5.849 ( -0.951 -2.506 -1.682) 3.164 6.044 ( 0.143 2.028 -0.558) 2.108 6.488 ( -0.003 -3.841 -4.752) 6.110 6.962 ( -7.770 -11.041 4.494) 14.230 7.879 ( -6.391 -3.296 -7.061) 10.078 ======================= Grid point 252 (87/288) ======================= q-point: ( 0.50 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 4.525 8.308 -4.065) 10.297 2.480 ( 4.857 19.989 1.881) 20.656 3.118 ( -1.814 5.165 -1.369) 5.643 3.458 ( 10.809 8.886 -3.889) 14.523 3.927 ( 3.519 2.338 -0.385) 4.242 4.275 ( 0.975 -3.338 6.849) 7.681 5.646 ( -0.247 8.397 2.922) 8.894 5.828 ( 0.948 -0.527 -2.447) 2.677 6.091 ( 2.653 2.517 -0.968) 3.783 6.436 ( 0.131 -2.552 -3.624) 4.434 6.701 ( -11.810 -8.525 1.285) 14.622 7.780 ( 0.367 -3.861 -2.789) 4.777 ======================= Grid point 253 (88/288) ======================= q-point: ( 0.57 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 3.755 5.459 -4.038) 7.760 2.722 ( 0.883 17.863 0.831) 17.904 3.116 ( -3.603 3.972 0.425) 5.380 3.658 ( 4.951 6.334 -5.335) 9.648 3.957 ( -1.093 -0.576 -2.545) 2.830 4.274 ( 1.468 -3.679 8.760) 9.614 5.702 ( -4.091 8.906 2.046) 10.012 5.855 ( 3.059 0.633 -2.136) 3.784 6.164 ( 4.157 0.765 -0.178) 4.231 6.399 ( -5.073 -4.280 -4.980) 8.299 6.468 ( -4.312 -0.395 3.100) 5.326 7.769 ( 3.404 -4.964 -0.699) 6.059 ======================= Grid point 254 (89/288) ======================= q-point: (-0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 1.750 2.579 -2.905) 4.261 2.852 ( -5.865 14.423 1.289) 15.624 3.083 ( -3.803 3.192 0.974) 5.060 3.733 ( 1.098 3.997 -8.243) 9.226 3.844 ( -6.017 -4.738 -4.763) 9.019 4.332 ( 2.214 -0.658 11.009) 11.248 5.700 ( -6.408 8.167 0.963) 10.426 5.921 ( 3.718 -0.049 -0.007) 3.718 6.210 ( -3.780 -2.564 -1.916) 4.953 6.264 ( 1.813 2.663 -1.031) 3.383 6.490 ( 2.099 0.637 2.130) 3.058 7.781 ( 4.178 -5.593 -0.147) 6.982 ======================= Grid point 255 (90/288) ======================= q-point: (-0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -1.318 -0.473 -1.071) 1.763 2.774 ( -15.075 5.456 3.199) 16.348 3.093 ( -2.054 7.650 -0.207) 7.924 3.630 ( -6.096 -5.227 -9.051) 12.100 3.805 ( 3.360 1.736 -2.630) 4.606 4.339 ( -5.664 -0.587 7.778) 9.640 5.653 ( -7.342 5.831 0.353) 9.383 5.929 ( -1.533 -2.303 0.420) 2.798 6.154 ( -1.314 1.380 -0.319) 1.932 6.350 ( 3.450 4.551 -3.255) 6.573 6.565 ( 6.044 -0.551 3.063) 6.798 7.813 ( 6.051 -4.893 0.875) 7.831 ======================= Grid point 256 (91/288) ======================= q-point: (-0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -6.096 -3.092 0.662) 6.867 2.505 ( -19.884 0.214 3.144) 20.132 3.122 ( -4.317 8.423 -0.882) 9.506 3.463 ( -3.835 -6.422 -4.229) 8.593 3.906 ( 6.890 2.651 -3.380) 8.120 4.148 ( -17.265 -2.619 4.361) 17.999 5.571 ( -7.504 3.297 0.158) 8.198 5.879 ( -1.900 -0.060 -0.550) 1.979 6.124 ( -3.256 -0.109 0.408) 3.283 6.453 ( 4.778 3.684 -3.199) 6.829 6.702 ( 8.905 0.131 1.633) 9.055 7.910 ( 9.257 -2.907 1.852) 9.878 ======================= Grid point 257 (92/288) ======================= q-point: (-0.14 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -14.598 -4.885 2.082) 15.534 2.155 ( -20.211 -1.196 1.695) 20.317 3.093 ( -6.397 5.358 -2.012) 8.584 3.334 ( -4.902 -4.766 -1.816) 7.074 3.731 ( -26.652 -2.949 0.334) 26.817 4.076 ( 9.055 2.572 0.685) 9.438 5.465 ( -7.813 1.722 0.092) 8.001 5.876 ( 1.455 1.039 -0.931) 2.016 6.067 ( -2.389 -0.760 0.495) 2.555 6.548 ( 3.969 1.900 -2.886) 5.262 6.874 ( 10.133 0.718 1.228) 10.233 8.068 ( 10.818 -1.772 0.334) 10.968 ======================= Grid point 258 (93/288) ======================= q-point: (-0.07 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -22.336 -3.411 2.942) 22.786 1.809 ( -20.055 -1.777 -0.629) 20.143 2.982 ( -16.949 1.955 -5.813) 18.025 3.070 ( -17.760 -1.896 2.128) 17.987 3.345 ( -12.689 1.040 1.528) 12.823 4.260 ( 8.994 1.745 1.281) 9.251 5.345 ( -7.537 1.113 0.206) 7.622 5.938 ( 4.801 0.546 -0.824) 4.902 6.043 ( 0.434 -0.911 0.451) 1.105 6.607 ( 2.021 1.502 -2.905) 3.844 7.067 ( 10.877 0.334 2.643) 11.199 8.220 ( 9.618 -2.679 -3.694) 10.646 ======================= Grid point 263 (94/288) ======================= q-point: ( 0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -0.000 19.110 3.870) 19.498 1.680 ( -0.000 19.415 6.076) 20.343 2.716 ( -0.000 33.091 -2.307) 33.171 2.836 ( -0.000 1.083 -3.549) 3.711 3.278 ( -0.000 11.708 1.670) 11.826 4.292 ( 0.000 -6.436 -0.012) 6.436 5.193 ( -0.000 6.196 -0.633) 6.229 5.951 ( 0.000 -5.887 -0.409) 5.901 6.099 ( 0.000 -2.077 0.617) 2.166 6.451 ( -0.000 1.731 -7.486) 7.684 7.235 ( 0.000 -12.943 5.009) 13.879 8.294 ( -0.000 -3.655 -7.624) 8.455 ======================= Grid point 264 (95/288) ======================= q-point: ( 0.36 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -1.020 14.246 -0.297) 14.286 1.932 ( 5.206 19.537 5.163) 20.867 2.848 ( 2.665 7.775 -4.329) 9.290 3.037 ( 5.339 13.850 -9.303) 17.518 3.470 ( 4.382 18.268 6.845) 19.994 4.238 ( 0.220 -5.682 3.264) 6.556 5.310 ( 5.739 6.908 0.714) 9.009 5.889 ( -0.869 -4.536 -0.345) 4.631 6.075 ( -0.922 -0.697 -0.038) 1.156 6.447 ( 1.333 -1.388 -5.430) 5.761 7.104 ( -1.854 -12.783 4.135) 13.562 8.172 ( -6.550 -4.162 -7.527) 10.812 ======================= Grid point 265 (96/288) ======================= q-point: ( 0.43 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 0.245 9.816 -2.996) 10.266 2.263 ( 7.823 20.319 5.003) 22.340 3.013 ( 9.201 5.664 -2.605) 11.114 3.165 ( 2.372 8.457 -7.857) 11.785 3.753 ( 5.344 13.572 1.715) 14.687 4.223 ( 1.221 -2.089 6.656) 7.083 5.507 ( 7.453 7.621 2.264) 10.897 5.835 ( -0.951 -2.389 -1.263) 2.865 6.064 ( -0.382 1.448 -0.757) 1.677 6.423 ( 0.818 -3.993 -4.420) 6.012 6.952 ( -3.306 -11.848 3.463) 12.779 7.965 ( -9.243 -3.803 -6.487) 11.916 ======================= Grid point 266 (97/288) ======================= q-point: ( 0.50 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 2.458 7.483 -3.160) 8.487 2.605 ( 6.206 20.144 4.515) 21.556 3.166 ( 2.424 5.011 -4.301) 7.035 3.336 ( 11.128 7.220 -0.439) 13.273 3.888 ( 2.735 1.642 -1.097) 3.374 4.269 ( 0.124 2.132 4.795) 5.249 5.694 ( 4.114 6.376 3.543) 8.374 5.812 ( 0.495 0.875 -2.543) 2.734 6.089 ( 0.804 3.061 -1.642) 3.566 6.380 ( 1.003 -3.887 -3.773) 5.508 6.772 ( -6.266 -9.883 2.019) 11.875 7.777 ( -5.743 -3.500 -3.490) 7.577 ======================= Grid point 267 (98/288) ======================= q-point: ( 0.57 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 2.962 5.762 -2.584) 6.975 2.884 ( 2.631 18.034 3.686) 18.594 3.210 ( -1.644 5.270 -1.954) 5.856 3.597 ( 9.315 6.280 -0.315) 11.238 3.932 ( 3.529 -1.340 0.321) 3.788 4.255 ( -2.850 -1.520 1.090) 3.409 5.773 ( 1.384 1.736 -0.579) 2.295 5.869 ( 0.717 6.292 1.361) 6.478 6.117 ( 0.838 0.385 -1.801) 2.024 6.378 ( 2.131 -0.166 -3.487) 4.090 6.573 ( -7.736 -5.224 1.523) 9.458 7.684 ( -0.200 -4.520 -0.790) 4.593 ======================= Grid point 268 (99/288) ======================= q-point: ( 0.64 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 1.695 3.702 -2.073) 4.569 3.074 ( -1.004 15.187 3.018) 15.517 3.196 ( -4.912 3.598 0.512) 6.111 3.730 ( 2.136 3.442 -2.428) 4.723 3.917 ( -7.290 0.096 -6.169) 9.551 4.252 ( 7.110 -3.818 6.560) 10.400 5.813 ( 1.246 2.125 -1.344) 2.806 5.919 ( -2.376 4.708 1.280) 5.426 6.136 ( 4.349 -3.348 -0.117) 5.490 6.354 ( -5.356 2.947 -2.278) 6.524 6.490 ( -0.069 0.777 1.063) 1.318 7.657 ( 2.823 -5.770 -0.046) 6.424 ======================= Grid point 269 (100/288) ======================= q-point: (-0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -0.532 1.450 -1.476) 2.137 3.070 ( -11.751 3.640 2.457) 12.545 3.216 ( -0.995 10.364 2.341) 10.671 3.696 ( -11.217 -3.498 -8.098) 14.270 3.774 ( 1.593 1.763 -1.600) 2.864 4.370 ( 4.119 -1.308 5.449) 6.955 5.810 ( -5.100 2.581 -0.075) 5.717 5.913 ( 0.482 -0.898 -0.106) 1.024 6.193 ( 2.739 -0.009 1.037) 2.929 6.334 ( -0.490 6.043 -2.316) 6.490 6.507 ( 1.024 -0.307 1.113) 1.543 7.665 ( 4.853 -5.390 0.122) 7.254 ======================= Grid point 270 (101/288) ======================= q-point: (-0.21 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -3.547 -0.318 -0.987) 3.695 2.844 ( -17.415 0.117 2.339) 17.572 3.297 ( -3.105 10.706 2.486) 11.421 3.458 ( -7.316 -6.800 -5.331) 11.322 3.831 ( 3.765 2.008 -1.034) 4.390 4.350 ( -6.708 -1.776 2.198) 7.279 5.718 ( -6.852 0.958 0.727) 6.957 5.904 ( -0.964 -0.397 -0.566) 1.186 6.200 ( -3.390 1.461 0.132) 3.694 6.407 ( 3.126 3.838 -3.363) 5.984 6.562 ( 6.783 -1.468 2.127) 7.259 7.731 ( 7.820 -3.091 0.172) 8.411 ======================= Grid point 271 (102/288) ======================= q-point: (-0.14 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -8.087 -0.896 -1.334) 8.246 2.508 ( -21.017 -1.516 1.471) 21.123 3.257 ( -7.966 -1.251 -1.314) 8.170 3.351 ( -2.076 3.348 -0.392) 3.959 3.934 ( 4.867 1.462 -1.355) 5.259 4.131 ( -15.636 -1.259 2.986) 15.968 5.608 ( -7.224 0.248 1.479) 7.378 5.877 ( -1.095 0.092 -1.173) 1.607 6.125 ( -4.688 -0.469 -0.558) 4.744 6.486 ( 4.016 1.676 -2.309) 4.926 6.707 ( 9.975 -0.683 1.605) 10.127 7.864 ( 10.016 -1.397 -1.527) 10.228 ======================= Grid point 272 (103/288) ======================= q-point: (-0.07 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -15.361 0.448 -2.291) 15.537 2.136 ( -20.584 -1.205 -0.220) 20.621 3.110 ( -5.811 -3.497 -0.395) 6.793 3.303 ( -8.623 4.443 -4.654) 10.759 3.728 ( -22.054 2.228 0.674) 22.176 4.139 ( 7.646 1.569 6.074) 9.890 5.483 ( -7.525 -0.724 1.748) 7.759 5.877 ( 1.770 -0.294 -0.844) 1.983 6.055 ( -2.550 -0.238 -0.626) 2.636 6.559 ( 3.952 0.589 -1.932) 4.438 6.887 ( 10.932 -0.945 2.626) 11.283 8.009 ( 9.591 -2.074 -5.411) 11.205 ======================= Grid point 278 (104/288) ======================= q-point: ( 0.36 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -0.000 10.459 -2.741) 10.813 2.050 ( -0.000 15.455 0.361) 15.459 2.851 ( -0.000 2.303 -1.156) 2.577 3.102 ( -0.000 12.613 -11.569) 17.115 3.659 ( -0.000 20.471 6.597) 21.508 4.207 ( 0.000 -2.624 6.578) 7.082 5.326 ( -0.000 6.606 1.472) 6.768 5.859 ( 0.000 -3.001 0.134) 3.004 6.077 ( -0.000 0.075 -0.765) 0.769 6.402 ( -0.000 -2.582 -4.087) 4.835 7.005 ( 0.000 -12.222 2.238) 12.425 8.162 ( -0.000 -4.824 -6.682) 8.241 ======================= Grid point 279 (105/288) ======================= q-point: ( 0.43 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -1.515 5.870 -5.681) 8.308 2.291 ( 9.884 14.258 0.008) 17.349 2.920 ( 5.110 3.156 -0.296) 6.014 3.185 ( 1.601 8.052 -7.715) 11.266 3.838 ( 0.274 8.957 2.427) 9.285 4.252 ( 0.371 6.732 8.550) 10.888 5.455 ( 6.577 6.212 2.332) 9.343 5.831 ( -0.860 -0.912 -0.432) 1.326 6.079 ( -0.124 1.567 -1.216) 1.987 6.361 ( 0.284 -4.149 -2.904) 5.072 6.884 ( -1.402 -10.729 1.060) 10.872 8.040 ( -5.882 -4.614 -5.654) 9.373 ======================= Grid point 280 (106/288) ======================= q-point: ( 0.50 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 1.928 4.344 -4.474) 6.527 2.640 ( 12.755 14.924 1.310) 19.676 3.070 ( 8.956 2.459 -1.926) 9.485 3.278 ( 3.534 5.830 -1.407) 6.961 3.868 ( -0.227 -1.560 1.287) 2.035 4.363 ( -1.909 10.400 4.301) 11.416 5.659 ( 8.183 5.386 3.047) 10.259 5.813 ( -0.643 1.324 -1.957) 2.449 6.101 ( 0.671 2.981 -1.408) 3.364 6.313 ( 0.463 -4.707 -2.089) 5.170 6.753 ( -2.854 -9.072 0.351) 9.516 7.859 ( -7.973 -3.445 -3.610) 9.406 ======================= Grid point 281 (107/288) ======================= q-point: ( 0.57 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 3.611 4.022 -2.299) 5.874 2.979 ( 7.593 14.378 3.096) 16.551 3.229 ( 5.561 4.690 -5.383) 9.050 3.447 ( 12.023 2.473 4.665) 13.132 3.847 ( 1.498 -4.509 1.632) 5.024 4.373 ( -7.342 5.827 -1.153) 9.444 5.774 ( 0.310 2.277 -0.641) 2.386 5.876 ( 4.596 3.650 1.541) 6.068 6.132 ( -0.950 2.336 -2.429) 3.502 6.304 ( 4.322 -1.748 -1.263) 4.830 6.614 ( -4.073 -6.488 0.164) 7.663 7.700 ( -5.833 -2.677 -1.212) 6.532 ======================= Grid point 282 (108/288) ======================= q-point: ( 0.64 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 2.729 3.036 -1.116) 4.232 3.189 ( 2.807 9.246 3.132) 10.158 3.297 ( -1.557 4.613 -2.022) 5.272 3.697 ( 6.931 3.776 0.801) 7.933 3.897 ( 10.825 -3.190 3.018) 11.682 4.229 ( -10.864 0.065 -3.335) 11.364 5.798 ( 0.928 2.488 -1.974) 3.309 5.972 ( 3.134 1.062 3.423) 4.761 6.084 ( -3.501 -1.309 -2.231) 4.353 6.400 ( 4.089 3.386 -1.873) 5.630 6.510 ( -2.482 -2.111 0.900) 3.380 7.601 ( -2.136 -3.282 -0.026) 3.916 ======================= Grid point 283 (109/288) ======================= q-point: (-0.29 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 0.681 1.564 -0.684) 1.838 3.252 ( -6.759 1.389 0.518) 6.920 3.300 ( 1.497 4.571 1.929) 5.182 3.757 ( 0.434 0.169 -0.110) 0.479 3.925 ( -14.891 4.917 -4.094) 16.207 4.200 ( 13.486 -4.385 2.439) 14.389 5.841 ( 1.724 1.742 -0.643) 2.534 5.966 ( -6.085 0.308 -0.349) 6.103 6.075 ( 6.842 -2.515 0.887) 7.344 6.436 ( -2.452 4.126 -0.511) 4.827 6.504 ( 0.335 0.232 -0.041) 0.410 7.564 ( 1.581 -3.013 0.094) 3.404 ======================= Grid point 284 (110/288) ======================= q-point: (-0.21 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -1.670 0.495 -0.665) 1.865 3.096 ( -12.005 -1.085 0.974) 12.094 3.340 ( 0.914 -2.690 -0.271) 2.854 3.651 ( -13.250 4.084 0.736) 13.885 3.814 ( -0.353 2.436 0.671) 2.551 4.341 ( 5.093 -2.941 -1.255) 6.014 5.837 ( -5.809 0.474 1.262) 5.963 5.898 ( 0.440 -0.007 -1.035) 1.125 6.179 ( 5.640 -1.090 -1.344) 5.900 6.437 ( -1.180 2.590 0.474) 2.886 6.484 ( -0.338 -1.798 -0.206) 1.841 7.603 ( 4.894 -0.158 -0.042) 4.897 ======================= Grid point 285 (111/288) ======================= q-point: (-0.14 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -4.497 0.544 -1.578) 4.797 2.822 ( -17.497 -3.054 0.222) 17.762 3.259 ( -2.263 -8.500 -1.548) 8.931 3.547 ( -8.619 9.682 3.611) 13.456 3.868 ( 3.664 1.209 2.649) 4.680 4.297 ( -5.385 -3.069 -2.901) 6.844 5.730 ( -6.814 -0.816 1.813) 7.098 5.895 ( -1.012 0.032 -1.455) 1.772 6.179 ( -2.435 -1.945 -1.825) 3.612 6.452 ( 0.789 0.754 0.163) 1.104 6.532 ( 8.535 -2.224 -0.110) 8.821 7.717 ( 6.826 2.229 -1.122) 7.268 ======================= Grid point 286 (112/288) ======================= q-point: (-0.07 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -8.543 1.930 -3.998) 9.628 2.468 ( -19.653 -2.598 -0.651) 19.835 3.132 ( -3.197 -6.539 -0.024) 7.279 3.503 ( -8.548 7.733 -0.279) 11.530 3.942 ( -0.265 0.247 -0.522) 0.635 4.147 ( -5.894 0.187 4.833) 7.625 5.593 ( -7.104 -3.615 2.214) 8.273 5.869 ( -1.033 0.512 -1.481) 1.877 6.110 ( -3.448 0.403 -0.912) 3.589 6.482 ( 3.375 -1.425 -0.618) 3.715 6.684 ( 11.227 -2.591 0.095) 11.522 7.850 ( 6.631 1.873 -3.842) 7.889 ======================= Grid point 293 (113/288) ======================= q-point: ( 0.43 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -0.000 1.278 -8.214) 8.313 2.285 ( -0.000 9.421 -3.324) 9.991 2.915 ( -0.000 3.845 1.477) 4.119 3.223 ( -0.000 6.649 -4.689) 8.136 3.887 ( 0.000 -0.713 3.164) 3.243 4.392 ( -0.000 14.590 7.469) 16.391 5.453 ( -0.000 4.564 2.410) 5.161 5.840 ( -0.000 1.239 -0.458) 1.321 6.095 ( -0.000 2.469 -1.560) 2.920 6.309 ( 0.000 -4.907 -1.072) 5.023 6.802 ( 0.000 -8.270 -0.787) 8.307 8.026 ( -0.000 -4.872 -4.681) 6.757 ======================= Grid point 294 (114/288) ======================= q-point: ( 0.50 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 1.166 0.695 -6.100) 6.250 2.486 ( 14.115 7.113 -3.316) 16.150 2.992 ( 3.765 3.536 1.487) 5.375 3.284 ( 1.566 4.732 -1.123) 5.110 3.861 ( -0.938 -3.878 3.018) 5.002 4.536 ( -2.230 12.718 3.663) 13.422 5.565 ( 7.326 3.258 2.045) 8.274 5.849 ( -1.241 3.173 -1.363) 3.669 6.119 ( 0.207 2.923 -0.966) 3.085 6.256 ( 0.117 -5.426 0.025) 5.427 6.715 ( -1.757 -5.813 -1.621) 6.285 7.925 ( -4.728 -3.804 -3.113) 6.820 ======================= Grid point 295 (115/288) ======================= q-point: ( 0.57 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 4.521 1.842 -2.334) 5.411 2.851 ( 20.209 7.131 -2.455) 21.571 3.113 ( 6.447 2.396 0.089) 6.879 3.361 ( 3.376 1.863 2.973) 4.869 3.813 ( -1.016 -3.804 2.194) 4.508 4.567 ( -6.690 7.487 -0.403) 10.049 5.745 ( 8.078 1.948 1.312) 8.412 5.857 ( -0.689 4.001 -1.923) 4.493 6.155 ( 1.033 2.525 -0.068) 2.729 6.215 ( 1.374 -4.494 0.215) 4.705 6.617 ( -3.233 -3.940 -1.501) 5.313 7.788 ( -6.686 -1.973 -1.259) 7.084 ======================= Grid point 296 (116/288) ======================= q-point: ( 0.64 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 4.465 1.758 -0.284) 4.807 3.180 ( 7.092 4.032 0.765) 8.194 3.288 ( 9.907 5.416 -6.641) 13.099 3.487 ( 13.648 -2.804 7.918) 16.026 3.773 ( -0.106 -3.119 1.234) 3.356 4.455 ( -11.701 3.404 -2.388) 12.418 5.824 ( -0.358 3.567 -1.751) 3.989 5.908 ( 3.520 -1.606 1.801) 4.268 6.153 ( -3.502 1.434 -0.897) 3.889 6.285 ( 9.262 -0.482 0.392) 9.283 6.532 ( -2.625 -1.578 -0.567) 3.115 7.659 ( -6.296 -0.941 -0.165) 6.368 ======================= Grid point 297 (117/288) ======================= q-point: (-0.29 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 2.552 0.595 0.298) 2.638 3.270 ( 3.459 -1.682 -0.411) 3.868 3.346 ( -2.863 1.072 -0.803) 3.161 3.753 ( 0.323 0.479 0.071) 0.582 3.837 ( 22.136 -3.624 1.421) 22.475 4.243 ( -15.143 2.821 -0.537) 15.413 5.843 ( -0.123 2.213 -0.209) 2.226 5.950 ( 4.597 -3.070 0.076) 5.529 6.081 ( -5.886 1.468 0.436) 6.082 6.441 ( 6.557 0.994 -0.636) 6.663 6.493 ( -1.228 -0.555 0.565) 1.461 7.565 ( -3.438 -0.067 -0.025) 3.439 ======================= Grid point 298 (118/288) ======================= q-point: (-0.21 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 0.512 -0.355 0.309) 0.695 3.249 ( -7.551 -1.906 0.348) 7.795 3.267 ( 1.409 -7.249 -1.382) 7.513 3.758 ( 0.248 0.149 0.027) 0.290 4.003 ( -9.859 0.026 3.221) 10.372 4.146 ( 10.167 1.131 -2.548) 10.542 5.866 ( 1.180 0.157 1.612) 2.004 5.949 ( -3.666 -1.828 -1.683) 4.429 6.068 ( 4.050 2.417 0.112) 4.717 6.446 ( -2.450 -3.068 0.330) 3.940 6.503 ( 0.432 -0.427 -0.040) 0.609 7.562 ( 1.614 2.912 -0.052) 3.329 ======================= Grid point 299 (119/288) ======================= q-point: (-0.14 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -1.461 -0.118 -0.333) 1.503 3.038 ( -12.538 -5.845 -0.622) 13.847 3.191 ( -0.232 -8.496 -0.426) 8.510 3.756 ( -3.005 3.426 0.172) 4.561 3.895 ( -5.109 2.921 7.968) 9.905 4.249 ( 4.129 -3.397 -6.259) 8.232 5.829 ( -5.916 -3.650 1.369) 7.084 5.899 ( 0.441 0.851 -1.106) 1.464 6.165 ( 2.383 1.853 -1.544) 3.391 6.372 ( 1.865 -6.219 1.321) 6.625 6.486 ( -1.278 -0.033 -0.877) 1.550 7.661 ( 4.371 5.463 -0.225) 7.001 ======================= Grid point 300 (120/288) ======================= q-point: (-0.07 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -4.101 1.357 -2.587) 5.035 2.727 ( -15.455 -5.989 -1.367) 16.631 3.104 ( -1.176 -6.469 0.757) 6.619 3.716 ( -7.033 5.650 -0.205) 9.024 3.922 ( 1.538 1.195 7.248) 7.505 4.208 ( -1.466 -3.239 -3.803) 5.206 5.666 ( -6.799 -7.164 1.454) 9.983 5.901 ( -1.229 2.203 -2.229) 3.367 6.162 ( -2.128 1.424 0.366) 2.587 6.409 ( 4.361 -5.743 2.779) 7.728 6.493 ( 5.166 0.023 -4.208) 6.663 7.790 ( 4.112 5.215 -1.281) 6.763 ======================= Grid point 308 (121/288) ======================= q-point: ( 0.50 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -0.000 -0.789 -5.076) 5.137 2.398 ( -0.000 4.564 -2.338) 5.127 2.998 ( -0.000 2.835 1.334) 3.133 3.308 ( -0.000 3.065 0.384) 3.089 3.839 ( 0.000 -4.097 2.872) 5.003 4.678 ( -0.000 9.314 1.399) 9.418 5.526 ( 0.000 1.605 1.123) 1.959 5.898 ( -0.000 5.009 -1.422) 5.207 6.143 ( -0.000 2.794 -0.791) 2.903 6.198 ( 0.000 -6.509 1.703) 6.728 6.685 ( -0.000 -2.466 -2.384) 3.430 7.922 ( 0.000 -3.086 -1.996) 3.675 ======================= Grid point 309 (122/288) ======================= q-point: ( 0.57 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 3.592 1.151 -0.810) 3.857 2.564 ( 14.997 2.986 -1.170) 15.337 3.052 ( 3.457 1.207 0.454) 3.690 3.346 ( 1.439 1.106 2.163) 2.823 3.804 ( -0.813 -2.823 1.860) 3.477 4.715 ( -3.611 4.134 -1.488) 5.687 5.607 ( 7.613 0.396 0.029) 7.623 5.929 ( -1.992 5.390 -1.553) 5.952 6.135 ( 0.119 -5.014 2.439) 5.577 6.180 ( 1.096 0.944 -0.296) 1.477 6.641 ( -2.565 -0.590 -2.052) 3.337 7.862 ( -3.841 -1.148 -0.609) 4.055 ======================= Grid point 310 (123/288) ======================= q-point: (-0.36 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 4.947 1.446 1.526) 5.375 2.921 ( 22.589 1.581 -1.240) 22.678 3.134 ( 5.868 -0.538 -0.948) 5.969 3.388 ( 2.220 -1.332 4.429) 5.130 3.772 ( -1.084 -1.054 0.679) 1.657 4.632 ( -7.257 0.032 -2.903) 7.816 5.757 ( 8.700 -0.789 -1.003) 8.793 5.919 ( -3.044 1.736 0.055) 3.505 6.140 ( 5.052 -1.775 0.871) 5.425 6.203 ( -0.296 1.265 0.989) 1.633 6.580 ( -3.709 0.775 -1.158) 3.962 7.770 ( -6.372 0.485 0.208) 6.394 ======================= Grid point 311 (124/288) ======================= q-point: (-0.29 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 3.801 -0.196 1.757) 4.191 3.148 ( 6.331 -6.455 -2.338) 9.339 3.343 ( 10.404 3.998 -6.198) 12.753 3.438 ( 11.945 -6.977 8.227) 16.095 3.761 ( -0.043 1.612 -0.094) 1.616 4.469 ( -9.670 -1.245 -1.022) 9.803 5.847 ( 4.244 -3.367 -1.126) 5.533 5.880 ( -1.715 0.867 0.705) 2.047 6.181 ( -3.046 0.836 1.652) 3.564 6.287 ( 9.843 0.781 0.548) 9.889 6.533 ( -2.986 1.760 -0.460) 3.496 7.663 ( -6.688 1.430 0.214) 6.843 ======================= Grid point 312 (125/288) ======================= q-point: (-0.21 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 2.310 -1.831 1.447) 3.284 3.131 ( 3.348 -10.897 -2.534) 11.678 3.328 ( -4.342 -3.190 1.066) 5.492 3.674 ( 11.520 -5.298 -1.397) 12.757 3.842 ( 7.845 2.945 -2.243) 8.675 4.296 ( -9.547 0.445 3.155) 10.065 5.844 ( 1.565 -3.467 2.049) 4.321 5.902 ( 2.028 -0.357 -2.992) 3.632 6.135 ( -3.908 2.358 2.774) 5.341 6.434 ( 5.910 -1.445 1.190) 6.200 6.489 ( -4.116 0.899 -0.983) 4.327 7.602 ( -2.490 3.689 0.067) 4.451 ======================= Grid point 313 (126/288) ======================= q-point: (-0.14 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 1.308 -1.971 1.229) 2.666 3.037 ( 0.393 -14.381 -0.618) 14.399 3.189 ( -6.617 -3.938 -0.096) 7.701 3.755 ( 3.549 -0.911 0.431) 3.689 3.959 ( 4.480 -1.656 -4.446) 6.526 4.198 ( -4.189 1.392 3.338) 5.534 5.836 ( -0.377 -5.987 0.073) 5.999 5.893 ( 0.226 -0.664 -0.292) 0.760 6.151 ( 1.832 3.340 1.330) 4.035 6.379 ( -6.773 -1.338 -0.043) 6.904 6.480 ( 0.973 -1.693 0.264) 1.970 7.659 ( 2.690 6.240 0.179) 6.797 ======================= Grid point 314 (127/288) ======================= q-point: (-0.07 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -0.257 -0.445 -0.000) 0.514 2.839 ( -7.168 -12.415 -0.000) 14.335 3.073 ( -2.309 -3.999 -0.000) 4.618 3.794 ( 0.613 1.061 -0.000) 1.225 3.972 ( 0.125 0.217 -0.000) 0.250 4.162 ( -1.103 -1.910 0.000) 2.206 5.691 ( -5.528 -9.575 -0.000) 11.056 5.921 ( 1.024 1.773 -0.000) 2.048 6.232 ( 1.520 2.633 -0.000) 3.040 6.273 ( -1.394 -2.415 0.000) 2.789 6.468 ( -0.378 -0.655 -0.000) 0.756 7.782 ( 3.517 6.091 0.000) 7.033 ======================= Grid point 324 (128/288) ======================= q-point: (-0.43 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 0.000 3.066 3.024) 4.307 2.451 ( 0.000 1.354 0.977) 1.670 3.023 ( 0.000 -0.760 -0.403) 0.860 3.347 ( 0.000 0.012 2.811) 2.811 3.795 ( 0.000 -1.380 0.946) 1.674 4.752 ( -0.000 -1.091 -3.847) 3.999 5.534 ( -0.000 -0.708 -1.073) 1.286 5.995 ( -0.000 2.912 -0.305) 2.928 6.092 ( 0.000 -2.790 1.438) 3.139 6.178 ( 0.000 0.476 0.632) 0.791 6.663 ( -0.000 1.157 -1.628) 1.997 7.893 ( -0.000 0.845 0.382) 0.927 ======================= Grid point 325 (129/288) ======================= q-point: (-0.36 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 2.144 3.083 4.959) 6.221 2.595 ( 14.760 -0.430 1.804) 14.876 3.034 ( 3.396 -2.456 -1.242) 4.372 3.363 ( 1.077 -1.122 4.120) 4.404 3.785 ( -0.658 0.359 -0.105) 0.757 4.675 ( -2.794 -5.813 -5.392) 8.406 5.587 ( 7.566 -1.727 -1.880) 7.986 5.962 ( -1.849 -4.185 1.622) 4.854 6.108 ( -0.241 3.939 -0.261) 3.955 6.201 ( 1.739 0.440 1.667) 2.449 6.652 ( -2.695 2.408 -0.951) 3.737 7.878 ( -4.079 2.689 0.953) 4.978 ======================= Grid point 326 (130/288) ======================= q-point: (-0.29 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 2.499 -0.025 4.056) 4.764 2.861 ( 16.121 -8.270 -1.553) 18.185 3.107 ( 9.727 -0.343 -0.713) 9.759 3.379 ( 0.676 -2.574 5.085) 5.739 3.785 ( -0.472 2.510 -0.591) 2.622 4.528 ( -3.766 -8.232 -4.201) 9.980 5.703 ( 8.144 -3.341 -2.528) 9.159 5.899 ( -1.128 -3.507 2.073) 4.227 6.151 ( 2.882 0.446 -0.164) 2.921 6.250 ( 0.940 3.522 3.108) 4.790 6.624 ( -3.815 4.262 -0.757) 5.770 7.812 ( -7.355 3.401 0.930) 8.156 ======================= Grid point 327 (131/288) ======================= q-point: (-0.21 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 2.368 -3.160 2.720) 4.795 2.907 ( 6.952 -15.327 -3.789) 17.251 3.345 ( 4.869 -6.919 5.847) 10.284 3.361 ( 9.701 1.125 -3.776) 10.471 3.826 ( 1.196 4.815 -0.431) 4.980 4.378 ( -3.230 -7.654 -0.634) 8.331 5.752 ( 3.796 -4.679 -2.337) 6.463 5.879 ( 0.621 -1.627 1.548) 2.331 6.180 ( 0.801 -2.680 2.062) 3.475 6.344 ( 4.110 3.976 2.776) 6.356 6.598 ( -4.840 5.550 -1.424) 7.500 7.723 ( -6.801 4.270 0.923) 8.083 ======================= Grid point 328 (132/288) ======================= q-point: (-0.14 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 2.927 -4.342 2.445) 5.779 2.831 ( 4.772 -17.283 -1.559) 17.997 3.244 ( -4.910 -5.710 1.532) 7.685 3.577 ( 12.589 -3.379 -2.397) 13.253 3.896 ( 1.474 4.009 -2.839) 5.129 4.271 ( -2.260 -5.051 2.354) 6.014 5.750 ( 2.471 -5.843 -2.283) 6.742 5.878 ( 0.486 -1.506 1.745) 2.355 6.159 ( -0.343 -2.215 2.194) 3.136 6.440 ( 2.455 1.031 2.322) 3.533 6.540 ( -8.134 5.711 -1.541) 10.058 7.705 ( -1.223 6.081 1.253) 6.328 ======================= Grid point 339 (133/288) ======================= q-point: (-0.36 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 0.000 3.932 7.291) 8.284 2.452 ( 0.000 -3.246 2.809) 4.292 2.970 ( 0.000 -3.416 -1.282) 3.648 3.357 ( 0.000 -1.467 5.642) 5.829 3.800 ( -0.000 1.944 -0.977) 2.176 4.587 ( 0.000 -11.685 -7.674) 13.980 5.490 ( -0.000 -2.494 -2.310) 3.399 5.926 ( 0.000 -5.730 1.447) 5.910 6.167 ( 0.000 -2.194 1.391) 2.598 6.193 ( -0.000 7.844 0.874) 7.892 6.702 ( -0.000 3.591 -0.515) 3.628 7.957 ( -0.000 4.845 1.341) 5.027 ======================= Grid point 340 (134/288) ======================= q-point: (-0.29 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -1.150 -0.331 5.632) 5.757 2.527 ( 11.684 -8.631 0.387) 14.531 2.973 ( 4.686 -2.265 -0.224) 5.209 3.366 ( 0.351 -2.185 7.168) 7.502 3.820 ( -0.270 3.484 -0.927) 3.616 4.420 ( -0.130 -15.348 -7.880) 17.254 5.519 ( 7.028 -3.619 -2.363) 8.251 5.876 ( -0.404 -4.072 1.353) 4.310 6.137 ( -0.582 -1.891 0.791) 2.131 6.288 ( 1.198 6.566 2.758) 7.222 6.724 ( -2.250 5.541 -0.541) 6.005 7.972 ( -5.059 5.720 1.252) 7.738 ======================= Grid point 341 (135/288) ======================= q-point: (-0.21 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 0.192 -4.889 3.327) 5.917 2.581 ( 9.754 -17.186 -4.057) 20.174 3.102 ( 11.185 -1.096 1.205) 11.303 3.356 ( -1.087 -3.508 5.828) 6.888 3.861 ( 0.668 4.284 0.853) 4.419 4.258 ( 2.035 -14.808 -6.025) 16.115 5.599 ( 7.198 -5.278 -2.582) 9.291 5.853 ( 0.618 -1.815 1.886) 2.689 6.123 ( 1.280 -2.804 0.630) 3.146 6.377 ( 0.798 5.954 4.081) 7.263 6.734 ( -3.760 7.510 -1.450) 8.523 7.913 ( -8.434 5.918 1.503) 10.412 ======================= Grid point 342 (136/288) ======================= q-point: (-0.14 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 2.623 -7.578 2.450) 8.385 2.530 ( 7.944 -19.666 -2.841) 21.399 3.237 ( 1.867 -6.866 2.623) 7.583 3.346 ( 7.469 -1.478 0.549) 7.634 3.918 ( 1.236 1.839 1.758) 2.828 4.170 ( 3.710 -9.637 -4.687) 11.340 5.629 ( 4.038 -6.165 -2.694) 7.847 5.861 ( 0.633 -0.851 2.094) 2.347 6.117 ( 1.435 -4.095 1.081) 4.472 6.456 ( 0.409 4.651 3.631) 5.915 6.727 ( -5.880 8.435 -2.339) 10.545 7.843 ( -6.722 6.578 2.762) 9.803 ======================= Grid point 354 (137/288) ======================= q-point: (-0.29 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 0.000 -4.219 3.648) 5.578 2.321 ( 0.000 -11.617 0.072) 11.617 2.908 ( 0.000 -2.100 0.872) 2.274 3.367 ( 0.000 -2.775 9.258) 9.665 3.850 ( -0.000 1.702 0.201) 1.713 4.214 ( 0.000 -17.816 -10.265) 20.562 5.411 ( 0.000 -4.023 -1.625) 4.339 5.851 ( 0.000 -2.108 0.693) 2.219 6.120 ( 0.000 -2.874 0.909) 3.014 6.356 ( -0.000 6.950 3.316) 7.701 6.804 ( -0.000 7.119 -0.540) 7.140 8.085 ( -0.000 6.929 0.903) 6.988 ======================= Grid point 355 (138/288) ======================= q-point: (-0.21 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -1.578 -9.050 1.390) 9.292 2.248 ( 6.657 -17.606 -3.770) 19.196 2.949 ( 5.910 -1.317 2.378) 6.505 3.356 ( -0.686 -4.904 8.210) 9.588 3.821 ( 2.902 -14.240 1.169) 14.579 4.077 ( 0.980 -2.540 -8.326) 8.760 5.420 ( 5.928 -5.101 -0.982) 7.882 5.844 ( 0.062 0.431 0.881) 0.983 6.093 ( -0.257 -2.244 0.179) 2.266 6.438 ( 0.579 5.662 4.441) 7.219 6.861 ( -2.152 8.731 -1.245) 9.078 8.108 ( -5.588 7.117 0.861) 9.089 ======================= Grid point 356 (139/288) ======================= q-point: (-0.14 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 1.122 -13.517 -0.532) 13.574 2.177 ( 8.477 -19.586 -3.081) 21.563 3.069 ( 8.664 -3.488 2.767) 9.740 3.300 ( -1.119 -6.485 4.983) 8.255 3.734 ( 9.283 -21.684 -0.300) 23.590 4.103 ( -0.311 7.276 -4.570) 8.598 5.471 ( 6.145 -6.270 -1.103) 8.848 5.864 ( 0.092 1.884 1.448) 2.378 6.070 ( 0.113 -2.258 -0.146) 2.266 6.512 ( 0.411 4.619 4.247) 6.288 6.892 ( -4.158 9.489 -2.404) 10.635 8.058 ( -8.381 7.216 2.465) 11.330 ======================= Grid point 369 (140/288) ======================= q-point: (-0.21 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 0.000 -15.024 -2.417) 15.217 1.999 ( 0.000 -18.974 -4.304) 19.456 2.897 ( 0.000 -0.732 3.075) 3.161 3.307 ( 0.000 -13.477 7.279) 15.317 3.557 ( 0.000 -24.290 -3.168) 24.496 4.112 ( -0.000 9.194 -1.778) 9.365 5.316 ( 0.000 -5.066 0.579) 5.099 5.864 ( -0.000 3.033 0.649) 3.102 6.080 ( 0.000 -1.108 -0.480) 1.208 6.498 ( 0.000 4.354 5.211) 6.791 6.968 ( -0.000 9.874 -1.475) 9.983 8.230 ( -0.000 7.318 -0.077) 7.318 ======================= Grid point 370 (141/288) ======================= q-point: (-0.14 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 0.074 -22.013 -6.639) 22.993 1.866 ( 5.651 -17.719 -2.131) 18.720 2.935 ( 4.215 -3.258 4.180) 6.771 3.152 ( 6.408 -26.304 1.408) 27.109 3.393 ( 2.223 -13.631 -0.673) 13.827 4.201 ( -0.968 9.932 0.267) 9.983 5.313 ( 4.713 -5.553 1.075) 7.362 5.904 ( -0.329 4.706 1.000) 4.822 6.065 ( -0.796 -0.155 -1.034) 1.314 6.557 ( 0.540 3.063 5.243) 6.096 7.041 ( -2.559 10.325 -2.135) 10.849 8.255 ( -5.145 7.114 0.532) 8.795 ======================= Grid point 384 (142/288) ======================= q-point: (-0.14 -0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 0.000 -23.092 -7.251) 24.203 1.585 ( 0.000 -22.004 -6.196) 22.860 2.712 ( 0.000 -40.337 -0.136) 40.338 2.905 ( 0.000 -0.682 3.113) 3.186 3.291 ( 0.000 -8.972 0.848) 9.012 4.313 ( -0.000 9.332 2.359) 9.626 5.225 ( 0.000 -5.120 2.460) 5.680 5.967 ( -0.000 6.215 0.995) 6.294 6.077 ( -0.000 1.466 -1.522) 2.114 6.593 ( 0.000 1.613 6.172) 6.380 7.162 ( -0.000 10.613 -2.092) 10.817 8.366 ( -0.000 6.526 -0.819) 6.577 ======================= Grid point 431 (143/288) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 0.000 -0.000 24.275) 24.275 0.496 ( 0.000 -0.000 24.275) 24.275 0.802 ( 0.000 -0.000 39.760) 39.760 2.862 ( -0.000 0.000 -3.112) 3.112 2.862 ( -0.000 0.000 -3.112) 3.112 5.051 ( -0.000 0.000 -1.645) 1.645 5.051 ( -0.000 0.000 -1.645) 1.645 5.057 ( -0.000 0.000 -12.929) 12.929 6.196 ( 0.000 -0.000 1.234) 1.234 6.196 ( 0.000 -0.000 1.234) 1.234 7.624 ( 0.000 -0.000 6.472) 6.472 8.320 ( -0.000 0.000 -1.993) 1.993 ======================= Grid point 432 (144/288) ======================= q-point: ( 0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 10.716 6.187 16.350) 20.504 0.745 ( 9.672 5.584 22.027) 24.696 1.347 ( 29.704 17.150 21.384) 40.419 2.874 ( 1.253 0.723 -2.852) 3.198 2.900 ( 4.846 2.798 -3.635) 6.673 4.563 ( -6.392 -3.691 -3.081) 7.999 5.096 ( 3.240 1.871 -1.007) 3.875 6.062 ( 27.361 15.797 -29.566) 43.271 6.165 ( -2.493 -1.440 0.986) 3.043 6.194 ( 0.328 0.189 -2.338) 2.369 7.599 ( -4.375 -2.526 7.197) 8.793 8.354 ( 0.382 0.221 -8.077) 8.089 ======================= Grid point 433 (145/288) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 16.809 9.705 7.792) 20.915 1.071 ( 13.349 7.707 11.594) 19.287 2.085 ( 29.479 17.020 5.605) 34.498 2.900 ( 1.740 1.004 -2.414) 3.141 3.067 ( 10.464 6.041 0.538) 12.095 4.458 ( -2.827 -1.632 -4.268) 5.373 5.188 ( 4.966 2.867 -0.349) 5.745 6.097 ( -3.399 -1.963 0.611) 3.972 6.106 ( -4.641 -2.680 0.217) 5.364 6.421 ( 11.644 6.722 -15.630) 20.617 7.482 ( -7.727 -4.461 8.295) 12.182 8.249 ( -6.363 -3.673 -10.679) 12.962 ======================= Grid point 434 (146/288) ======================= q-point: ( 0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 13.576 7.838 2.161) 15.825 1.426 ( 18.004 10.395 3.005) 21.005 2.680 ( 22.649 13.076 -6.748) 27.009 2.936 ( 1.956 1.129 -1.771) 2.871 3.377 ( 14.863 8.581 7.610) 18.774 4.396 ( -1.883 -1.087 -0.869) 2.342 5.310 ( 5.337 3.081 0.540) 6.186 5.986 ( -5.255 -3.034 -0.125) 6.069 6.030 ( -2.184 -1.261 -0.060) 2.522 6.559 ( 3.659 2.113 -7.211) 8.357 7.311 ( -9.909 -5.721 9.043) 14.584 8.034 ( -7.819 -4.515 -12.566) 15.474 ======================= Grid point 435 (147/288) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 12.202 7.045 -4.150) 14.688 1.828 ( 16.515 9.535 0.115) 19.070 2.974 ( 1.744 1.007 -0.911) 2.210 3.093 ( 16.561 9.562 -8.899) 21.092 3.726 ( 12.020 6.940 6.709) 15.416 4.368 ( -1.114 -0.643 4.510) 4.690 5.416 ( 3.287 1.898 1.700) 4.158 5.890 ( -2.762 -1.595 -0.266) 3.200 6.016 ( 1.387 0.801 -1.009) 1.893 6.548 ( -2.318 -1.339 -4.512) 5.247 7.063 ( -14.270 -8.239 4.914) 17.195 7.876 ( -2.241 -1.294 -8.590) 8.971 ======================= Grid point 436 (148/288) ======================= q-point: ( 0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 9.913 5.723 -6.872) 13.351 2.166 ( 13.120 7.575 -1.648) 15.239 3.005 ( 0.933 0.538 0.080) 1.080 3.392 ( 11.976 6.915 -7.696) 15.826 3.930 ( 4.595 2.653 2.707) 5.956 4.364 ( -1.498 -0.865 8.890) 9.057 5.464 ( 0.536 0.310 2.371) 2.451 5.865 ( 0.679 0.392 -1.305) 1.522 6.083 ( 4.319 2.494 -1.503) 5.209 6.471 ( -2.530 -1.461 -1.361) 3.222 6.722 ( -15.020 -8.672 -0.882) 17.366 7.859 ( 1.410 0.814 -2.994) 3.408 ======================= Grid point 437 (149/288) ======================= q-point: ( 0.57 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 7.213 4.164 -6.701) 10.690 2.407 ( 8.433 4.869 -2.423) 10.035 3.013 ( -0.425 -0.246 0.887) 1.014 3.582 ( 7.115 4.108 -9.123) 12.277 3.969 ( -1.255 -0.725 -1.187) 1.873 4.353 ( -2.191 -1.265 12.951) 13.196 5.468 ( -0.631 -0.364 2.263) 2.377 5.902 ( 2.983 1.722 -2.070) 4.018 6.175 ( 3.625 2.093 -1.328) 4.391 6.407 ( -10.675 -6.163 1.399) 12.406 6.461 ( 0.668 0.386 -1.598) 1.774 7.888 ( 1.413 0.816 -1.021) 1.924 ======================= Grid point 438 (150/288) ======================= q-point: (-0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 4.270 2.465 -4.339) 6.568 2.526 ( 2.407 1.389 -1.789) 3.305 2.992 ( -1.483 -0.856 0.754) 1.871 3.671 ( 4.025 2.324 -12.335) 13.182 3.876 ( -5.228 -3.018 -2.977) 6.731 4.353 ( -2.573 -1.485 14.830) 15.125 5.456 ( -0.988 -0.571 1.756) 2.094 5.985 ( 3.624 2.092 0.085) 4.185 6.207 ( -5.134 -2.964 -3.240) 6.756 6.222 ( 0.614 0.354 -0.928) 1.168 6.528 ( 3.749 2.165 3.725) 5.711 7.914 ( 1.201 0.693 -0.331) 1.426 ======================= Grid point 439 (151/288) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -0.175 -0.101 -0.555) 0.591 2.492 ( -5.417 -3.128 0.619) 6.286 2.962 ( -0.940 -0.543 -0.904) 1.413 3.651 ( -3.009 -1.737 -12.131) 12.619 3.815 ( 2.502 1.445 -2.310) 3.699 4.283 ( -8.256 -4.766 11.221) 14.724 5.434 ( -1.344 -0.776 0.946) 1.817 5.959 ( -4.750 -2.742 -0.257) 5.490 6.197 ( -2.371 -1.369 -0.429) 2.771 6.245 ( 7.639 4.410 -2.670) 9.216 6.642 ( 5.180 2.990 3.360) 6.860 7.956 ( 2.648 1.529 1.443) 3.381 ======================= Grid point 440 (152/288) ======================= q-point: (-0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -7.147 -4.127 2.898) 8.747 2.288 ( -12.642 -7.299 3.073) 14.917 2.944 ( -0.308 -0.178 -2.402) 2.428 3.524 ( -5.028 -2.903 -5.018) 7.674 3.926 ( 7.172 4.141 -7.191) 10.968 4.019 ( -17.275 -9.974 7.852) 21.437 5.397 ( -2.200 -1.270 -0.222) 2.550 5.868 ( -2.144 -1.238 -0.925) 2.643 6.127 ( -3.270 -1.888 0.253) 3.784 6.421 ( 7.565 4.368 -2.980) 9.230 6.785 ( 6.673 3.853 1.362) 7.825 8.055 ( 5.306 3.063 3.858) 7.240 ======================= Grid point 441 (153/288) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -14.205 -8.202 4.920) 17.125 1.953 ( -17.510 -10.110 4.956) 20.818 2.927 ( -0.423 -0.244 -2.948) 2.988 3.349 ( -14.159 -8.175 -1.012) 16.381 3.540 ( -19.839 -11.454 0.073) 22.909 4.118 ( 9.323 5.383 -3.142) 11.214 5.327 ( -3.687 -2.129 -1.561) 4.535 5.871 ( 2.670 1.541 -0.860) 3.200 6.072 ( -1.375 -0.794 1.044) 1.900 6.546 ( 4.361 2.518 -4.544) 6.783 6.957 ( 8.217 4.744 0.703) 9.514 8.211 ( 6.787 3.918 3.955) 8.778 ======================= Grid point 446 (154/288) ======================= q-point: ( 0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 0.000 19.499 15.334) 24.806 0.892 ( 0.000 16.546 17.729) 24.251 1.344 ( 0.000 25.931 25.983) 36.709 2.829 ( -0.000 -0.138 -4.286) 4.289 2.919 ( -0.000 6.713 -3.445) 7.546 4.548 ( 0.000 -9.126 -3.548) 9.791 5.038 ( -0.000 1.370 -2.182) 2.576 5.981 ( -0.000 34.822 -29.450) 45.606 6.167 ( 0.000 -3.131 0.549) 3.178 6.194 ( 0.000 -1.690 1.519) 2.272 7.621 ( 0.000 -5.530 7.567) 9.372 8.351 ( -0.000 2.766 -7.700) 8.181 ======================= Grid point 447 (155/288) ======================= q-point: ( 0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 2.155 22.799 8.837) 24.546 1.108 ( 2.185 15.927 17.657) 23.879 1.884 ( 19.299 25.530 10.027) 33.538 2.859 ( 3.968 0.929 -3.282) 5.233 3.007 ( 3.653 8.393 -1.625) 9.297 4.447 ( -1.356 -4.450 -5.166) 6.952 5.113 ( 5.791 2.174 -1.421) 6.347 6.109 ( -1.699 -4.625 -0.238) 4.933 6.151 ( -2.664 -1.995 1.035) 3.485 6.268 ( 9.408 14.690 -18.364) 25.329 7.544 ( -3.681 -8.226 8.073) 12.100 8.297 ( -5.010 -0.729 -9.585) 10.840 ======================= Grid point 448 (156/288) ======================= q-point: ( 0.36 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 4.724 15.746 12.045) 20.380 1.396 ( 7.538 20.401 2.977) 21.952 2.451 ( 19.097 19.234 -4.980) 27.558 2.927 ( 2.030 3.666 -2.884) 5.087 3.242 ( 12.841 9.175 5.885) 16.844 4.383 ( -0.215 -3.133 -3.096) 4.410 5.248 ( 6.365 4.115 -0.479) 7.594 6.015 ( -3.131 -5.180 -0.504) 6.074 6.075 ( -3.758 -1.505 0.837) 4.134 6.464 ( 7.070 4.623 -9.528) 12.733 7.400 ( -5.802 -9.613 8.919) 14.339 8.112 ( -9.610 -2.767 -11.562) 15.287 ======================= Grid point 449 (157/288) ======================= q-point: ( 0.43 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 6.403 12.090 1.463) 13.759 1.758 ( 9.612 19.588 2.617) 21.976 2.887 ( 16.203 13.113 -8.415) 22.479 2.983 ( 1.014 4.911 -3.035) 5.861 3.601 ( 13.868 8.449 7.275) 17.794 4.358 ( 1.018 -2.702 1.425) 3.220 5.395 ( 4.677 5.588 0.698) 7.320 5.912 ( -2.903 -3.883 -0.687) 4.897 6.021 ( -1.515 0.246 0.087) 1.538 6.525 ( 1.343 -1.286 -5.938) 6.223 7.202 ( -9.747 -10.732 7.415) 16.284 7.898 ( -6.483 -1.846 -10.092) 12.136 ======================= Grid point 450 (158/288) ======================= q-point: ( 0.50 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 7.027 9.311 -3.719) 12.243 2.105 ( 8.492 17.539 0.886) 19.506 3.020 ( 0.003 4.054 -1.308) 4.260 3.240 ( 13.120 10.590 -7.148) 18.314 3.868 ( 7.535 3.904 3.206) 9.071 4.368 ( 1.510 -2.730 5.899) 6.673 5.504 ( 0.495 6.081 1.915) 6.394 5.850 ( -0.385 -1.942 -1.213) 2.322 6.040 ( 2.492 2.168 -0.849) 3.410 6.477 ( -1.380 -2.643 -4.112) 5.079 6.893 ( -14.922 -10.237 1.829) 18.188 7.819 ( 0.871 -1.184 -3.898) 4.166 ======================= Grid point 451 (159/288) ======================= q-point: ( 0.57 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 6.348 6.825 -5.582) 10.865 2.387 ( 5.157 15.231 -0.603) 16.092 3.044 ( -1.224 3.157 0.001) 3.386 3.489 ( 7.717 7.839 -7.394) 13.254 3.964 ( 1.248 -0.204 0.155) 1.275 4.381 ( 0.731 -3.304 9.304) 9.900 5.547 ( -3.184 6.425 2.333) 7.541 5.852 ( 2.492 -0.533 -2.019) 3.251 6.125 ( 4.313 2.609 -1.014) 5.142 6.438 ( 0.516 -1.367 -2.973) 3.313 6.556 ( -13.425 -6.945 1.090) 15.154 7.837 ( 3.117 -2.022 -0.948) 3.835 ======================= Grid point 452 (160/288) ======================= q-point: ( 0.64 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 4.881 4.377 -5.420) 8.506 2.571 ( 0.308 12.742 -1.207) 12.803 3.037 ( -2.729 1.888 0.977) 3.459 3.610 ( 2.878 4.866 -9.799) 11.313 3.911 ( -3.924 -3.405 -3.228) 6.117 4.404 ( 0.589 -2.158 13.158) 13.347 5.547 ( -4.858 6.508 2.103) 8.389 5.913 ( 5.168 0.646 -1.019) 5.307 6.211 ( 2.687 2.340 -0.985) 3.697 6.281 ( -8.732 -4.908 -3.528) 10.619 6.490 ( 2.922 0.504 3.672) 4.720 7.864 ( 3.047 -2.751 -0.552) 4.143 ======================= Grid point 453 (161/288) ======================= q-point: (-0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 2.627 1.271 -3.623) 4.652 2.626 ( -6.668 8.679 0.099) 10.945 3.004 ( -2.999 1.809 0.409) 3.526 3.626 ( -0.638 1.155 -13.207) 13.272 3.806 ( -1.735 -2.210 -0.936) 2.961 4.403 ( -4.394 -2.394 12.109) 13.102 5.526 ( -5.483 5.895 1.610) 8.210 5.984 ( 0.168 -2.310 0.465) 2.362 6.147 ( 0.069 -0.882 -2.612) 2.758 6.255 ( 0.289 3.737 -1.749) 4.136 6.579 ( 5.266 0.380 3.551) 6.363 7.893 ( 4.043 -2.626 0.120) 4.823 ======================= Grid point 454 (162/288) ======================= q-point: (-0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -1.859 -2.675 -0.967) 3.398 2.500 ( -14.315 1.612 2.705) 14.657 2.986 ( -2.578 4.181 -1.420) 5.113 3.537 ( -3.009 -3.008 -8.886) 9.852 3.837 ( 4.861 2.582 -3.061) 6.298 4.248 ( -13.934 -5.203 8.823) 17.293 5.485 ( -5.891 4.473 0.899) 7.451 5.899 ( -3.712 -2.292 -0.898) 4.454 6.147 ( -1.135 -2.058 -0.195) 2.359 6.346 ( 5.514 5.818 -2.934) 8.536 6.698 ( 6.867 1.005 2.071) 7.243 7.966 ( 6.785 -1.538 1.779) 7.181 ======================= Grid point 455 (163/288) ======================= q-point: (-0.14 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -9.122 -6.466 1.817) 11.328 2.210 ( -18.756 -3.597 3.885) 19.489 2.974 ( -3.464 4.696 -2.617) 6.395 3.422 ( -4.267 -4.273 -4.958) 7.813 3.837 ( -20.718 -6.756 -1.107) 21.820 4.015 ( 4.837 2.744 3.191) 6.412 5.415 ( -6.561 2.595 -0.066) 7.056 5.853 ( 0.154 0.455 -0.953) 1.067 6.092 ( -2.164 -1.589 0.406) 2.715 6.480 ( 5.131 3.618 -4.097) 7.497 6.850 ( 8.568 2.147 1.099) 8.900 8.102 ( 9.008 -0.528 2.121) 9.269 ======================= Grid point 461 (164/288) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -0.000 21.243 9.640) 23.328 1.331 ( -0.000 18.127 10.456) 20.926 2.053 ( -0.000 32.500 9.262) 33.794 2.805 ( -0.000 0.663 -4.274) 4.325 3.069 ( -0.000 9.939 -1.430) 10.042 4.393 ( -0.000 -4.868 -4.493) 6.625 5.082 ( -0.000 4.355 -1.322) 4.551 6.069 ( 0.000 -5.626 -0.666) 5.665 6.154 ( 0.000 -2.927 1.079) 3.120 6.284 ( -0.000 13.233 -14.106) 19.342 7.502 ( 0.000 -11.266 7.672) 13.630 8.308 ( -0.000 -0.887 -9.858) 9.897 ======================= Grid point 462 (165/288) ======================= q-point: ( 0.36 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 0.780 18.295 4.669) 18.897 1.562 ( 2.102 19.618 9.979) 22.110 2.435 ( 6.479 26.579 -3.750) 27.614 2.875 ( 6.657 2.986 -3.302) 8.008 3.207 ( 4.696 11.690 3.988) 13.214 4.336 ( 0.109 -3.934 -2.486) 4.654 5.183 ( 5.665 5.555 -0.371) 7.943 5.996 ( -1.428 -5.980 -0.260) 6.153 6.110 ( -2.034 -2.440 0.629) 3.239 6.387 ( 4.053 6.145 -8.883) 11.536 7.384 ( -2.428 -12.857 7.496) 15.079 8.201 ( -6.772 -2.073 -10.630) 12.773 ======================= Grid point 463 (166/288) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 0.859 13.659 1.308) 13.748 1.864 ( 5.513 21.774 6.797) 23.467 2.770 ( 10.787 17.256 -7.961) 21.851 2.993 ( 3.150 5.327 -5.397) 8.211 3.498 ( 11.198 12.122 7.023) 17.935 4.308 ( 1.203 -3.400 1.067) 3.761 5.360 ( 6.956 7.215 0.668) 10.045 5.908 ( -2.135 -4.930 -0.551) 5.401 6.056 ( -2.159 -0.654 0.139) 2.260 6.455 ( 2.876 -0.424 -5.818) 6.503 7.223 ( -4.212 -13.324 7.176) 15.709 7.993 ( -9.801 -1.987 -10.219) 14.298 ======================= Grid point 464 (167/288) ======================= q-point: ( 0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 2.690 10.736 -1.670) 11.193 2.200 ( 5.719 21.910 4.764) 23.140 3.052 ( 2.315 5.535 -3.173) 6.787 3.116 ( 11.561 13.031 -6.191) 18.487 3.785 ( 8.303 6.710 2.104) 10.881 4.318 ( 2.302 -3.043 4.558) 5.944 5.545 ( 4.432 8.535 1.797) 9.784 5.834 ( -1.207 -3.071 -1.323) 3.555 6.038 ( -0.071 1.583 -0.493) 1.659 6.440 ( 0.266 -3.404 -4.785) 5.878 7.005 ( -9.110 -12.352 4.017) 15.865 7.815 ( -4.698 -1.730 -5.829) 7.684 ======================= Grid point 465 (168/288) ======================= q-point: ( 0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 3.719 8.557 -2.987) 9.797 2.504 ( 3.384 20.720 3.072) 21.218 3.102 ( -0.539 5.038 -1.859) 5.397 3.416 ( 9.651 10.810 -4.541) 15.186 3.925 ( 3.671 1.194 -0.225) 3.866 4.337 ( 1.929 -4.257 5.622) 7.312 5.673 ( -0.497 8.845 2.512) 9.208 5.805 ( 0.937 -0.999 -2.075) 2.486 6.082 ( 2.860 2.348 -0.849) 3.797 6.398 ( 0.542 -2.549 -4.011) 4.783 6.714 ( -12.450 -8.450 1.344) 15.106 7.759 ( 1.519 -3.239 -1.344) 3.821 ======================= Grid point 466 (169/288) ======================= q-point: ( 0.64 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 3.232 6.363 -3.594) 7.991 2.735 ( -0.287 18.835 1.829) 18.925 3.119 ( -2.677 4.144 0.148) 4.936 3.598 ( 3.037 7.642 -6.721) 10.621 3.928 ( -2.589 -2.108 -3.154) 4.593 4.363 ( 4.419 -4.466 9.021) 10.993 5.721 ( -4.266 8.224 1.864) 9.450 5.838 ( 3.363 1.280 -1.336) 3.838 6.161 ( 4.359 0.931 -0.451) 4.480 6.350 ( -4.446 -3.062 -5.055) 7.395 6.500 ( -4.165 -1.527 3.476) 5.636 7.765 ( 3.498 -4.772 -0.253) 5.922 ======================= Grid point 467 (170/288) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 1.827 3.678 -3.558) 5.433 2.867 ( -5.961 15.932 1.746) 17.100 3.094 ( -4.086 3.139 1.311) 5.317 3.636 ( -2.270 4.047 -10.596) 11.568 3.813 ( -3.423 -4.046 -2.148) 5.719 4.435 ( 2.599 -2.631 9.905) 10.573 5.712 ( -6.345 7.415 1.417) 9.861 5.921 ( 4.364 0.318 -0.025) 4.376 6.190 ( -4.805 -1.138 -2.128) 5.377 6.251 ( 2.183 2.187 -1.621) 3.490 6.514 ( 2.810 -0.177 2.630) 3.853 7.779 ( 4.306 -5.377 -0.255) 6.893 ======================= Grid point 468 (171/288) ======================= q-point: (-0.21 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -0.620 0.391 -2.744) 2.840 2.807 ( -14.906 6.123 3.412) 16.472 3.093 ( -2.959 8.177 0.365) 8.704 3.535 ( -4.406 -2.697 -9.796) 11.075 3.789 ( 2.305 1.012 -0.989) 2.705 4.413 ( -6.089 -3.109 7.234) 9.954 5.662 ( -7.377 5.397 1.391) 9.246 5.928 ( -1.906 -2.433 -0.672) 3.163 6.152 ( -0.969 2.404 -0.191) 2.599 6.317 ( 3.120 3.776 -3.496) 6.018 6.592 ( 6.006 -0.837 2.432) 6.534 7.819 ( 6.677 -4.771 0.290) 8.212 ======================= Grid point 469 (172/288) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -4.972 -2.881 -1.534) 5.948 2.541 ( -19.914 -0.373 3.970) 20.309 3.113 ( -5.427 8.994 -1.026) 10.555 3.413 ( -2.528 -4.579 -5.697) 7.734 3.877 ( 5.110 3.131 -2.377) 6.447 4.200 ( -16.174 -4.330 5.843) 17.733 5.579 ( -7.823 3.372 1.503) 8.650 5.869 ( -2.029 -0.106 -1.366) 2.448 6.126 ( -3.156 -0.137 -0.076) 3.160 6.418 ( 4.913 3.817 -4.024) 7.409 6.719 ( 8.444 0.105 1.729) 8.619 7.920 ( 9.648 -3.650 0.173) 10.316 ======================= Grid point 476 (173/288) ======================= q-point: ( 0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -0.000 16.047 3.563) 16.438 1.728 ( -0.000 17.147 3.483) 17.497 2.667 ( -0.000 26.816 -7.754) 27.914 2.805 ( -0.000 1.769 -2.506) 3.068 3.318 ( -0.000 15.111 6.596) 16.488 4.294 ( 0.000 -3.552 0.132) 3.554 5.192 ( -0.000 6.838 0.521) 6.858 5.950 ( 0.000 -5.720 0.249) 5.725 6.102 ( 0.000 -2.505 -0.017) 2.505 6.382 ( -0.000 3.833 -6.366) 7.431 7.289 ( 0.000 -14.493 6.007) 15.688 8.205 ( -0.000 -2.506 -10.372) 10.670 ======================= Grid point 477 (174/288) ======================= q-point: ( 0.43 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -1.289 11.515 -2.110) 11.777 1.977 ( 6.713 17.436 3.572) 19.022 2.807 ( 1.727 12.312 -4.159) 13.109 2.946 ( 6.014 9.288 -8.684) 14.066 3.543 ( 3.613 17.456 7.761) 19.442 4.271 ( 0.363 -2.529 3.362) 4.222 5.320 ( 5.877 7.591 1.453) 9.710 5.888 ( -1.210 -4.570 0.155) 4.730 6.072 ( -0.878 -1.175 -0.596) 1.583 6.399 ( 1.334 -0.284 -4.258) 4.471 7.149 ( -1.410 -14.595 4.922) 15.467 8.087 ( -6.567 -2.598 -9.662) 11.968 ======================= Grid point 478 (175/288) ======================= q-point: ( 0.50 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 0.878 8.497 -3.488) 9.227 2.308 ( 8.802 19.013 3.940) 21.318 2.991 ( 8.380 6.165 -1.836) 10.564 3.092 ( 4.396 10.842 -6.783) 13.524 3.771 ( 3.434 10.743 1.986) 11.452 4.285 ( 1.030 -0.244 5.698) 5.795 5.529 ( 7.740 8.324 2.139) 11.566 5.825 ( -1.580 -2.811 -0.756) 3.312 6.055 ( -0.417 0.989 -1.005) 1.471 6.384 ( 0.533 -3.261 -3.401) 4.742 6.986 ( -3.114 -13.658 3.532) 14.447 7.898 ( -8.472 -2.018 -7.041) 11.199 ======================= Grid point 479 (176/288) ======================= q-point: ( 0.57 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 2.852 7.370 -2.557) 8.306 2.649 ( 6.332 19.685 4.252) 21.111 3.125 ( 3.215 4.558 -4.074) 6.907 3.332 ( 11.046 10.129 -0.330) 14.991 3.880 ( 2.520 2.162 -0.645) 3.383 4.310 ( -0.740 -0.139 3.653) 3.730 5.726 ( 3.846 6.207 2.934) 7.870 5.790 ( 0.608 1.183 -1.988) 2.391 6.073 ( 0.750 2.482 -1.441) 2.967 6.346 ( 0.703 -3.114 -2.945) 4.343 6.790 ( -6.539 -10.792 1.449) 12.701 7.746 ( -4.393 -2.382 -2.818) 5.737 ======================= Grid point 480 (177/288) ======================= q-point: ( 0.64 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 2.805 6.215 -1.910) 7.081 2.923 ( 2.151 18.134 4.222) 18.743 3.191 ( -0.015 5.151 -2.038) 5.539 3.588 ( 6.798 8.131 -1.652) 10.726 3.927 ( 1.814 0.008 -1.285) 2.223 4.274 ( -0.214 -4.743 2.645) 5.435 5.764 ( 1.219 0.444 -1.055) 1.673 5.886 ( 0.450 7.865 1.809) 8.083 6.103 ( 1.639 -0.179 -1.091) 1.977 6.345 ( 1.379 0.449 -3.187) 3.501 6.586 ( -7.069 -5.346 1.278) 8.954 7.678 ( 0.323 -4.194 -0.339) 4.220 ======================= Grid point 481 (178/288) ======================= q-point: ( 0.71 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 1.360 4.429 -1.893) 5.005 3.108 ( -1.504 15.401 3.975) 15.977 3.202 ( -3.707 3.742 0.555) 5.296 3.697 ( -0.200 6.135 -4.643) 7.697 3.859 ( -7.974 -1.296 -5.405) 9.720 4.318 ( 9.019 -5.541 6.542) 12.444 5.803 ( 2.046 1.600 -0.587) 2.663 5.927 ( -3.243 4.551 0.497) 5.611 6.137 ( 4.779 -2.772 0.400) 5.539 6.330 ( -4.689 4.108 -2.459) 6.701 6.501 ( -0.413 -0.182 1.252) 1.331 7.657 ( 2.778 -5.647 0.000) 6.293 ======================= Grid point 482 (179/288) ======================= q-point: (-0.21 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -0.708 2.214 -1.982) 3.055 3.096 ( -10.951 2.699 2.789) 11.619 3.245 ( -1.487 11.318 3.678) 11.993 3.610 ( -11.183 0.471 -9.047) 14.392 3.766 ( 1.201 0.676 -0.516) 1.471 4.417 ( 4.047 -4.091 4.156) 7.098 5.815 ( -4.659 2.500 1.057) 5.392 5.907 ( 0.547 -1.244 -1.042) 1.712 6.199 ( 2.808 -0.206 0.149) 2.820 6.312 ( -1.996 6.877 -2.015) 7.439 6.517 ( 1.981 -0.816 1.036) 2.380 7.666 ( 4.910 -5.301 -0.012) 7.225 ======================= Grid point 483 (180/288) ======================= q-point: (-0.14 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -3.558 0.048 -2.088) 4.126 2.872 ( -17.137 -1.011 3.263) 17.474 3.325 ( -4.279 11.442 3.262) 12.644 3.403 ( -6.818 -4.401 -5.811) 9.981 3.825 ( 3.644 2.895 -0.250) 4.661 4.368 ( -6.175 -4.351 1.452) 7.692 5.731 ( -6.594 1.050 1.900) 6.942 5.894 ( -1.163 -0.467 -1.411) 1.887 6.196 ( -3.279 0.466 -1.024) 3.466 6.374 ( 2.546 4.926 -3.297) 6.451 6.582 ( 6.950 -1.635 1.901) 7.388 7.729 ( 7.668 -3.495 -0.430) 8.438 ======================= Grid point 491 (181/288) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -0.000 7.402 -5.192) 9.042 2.041 ( -0.000 13.891 -2.158) 14.057 2.848 ( -0.000 3.275 0.494) 3.312 2.998 ( -0.000 14.750 -9.370) 17.475 3.725 ( -0.000 17.379 6.570) 18.580 4.272 ( 0.000 0.448 6.368) 6.384 5.344 ( -0.000 7.096 2.210) 7.432 5.861 ( 0.000 -3.187 0.374) 3.209 6.067 ( -0.000 -0.339 -1.281) 1.325 6.370 ( -0.000 -1.617 -2.409) 2.901 7.029 ( 0.000 -14.111 2.638) 14.355 8.085 ( -0.000 -3.116 -8.733) 9.272 ======================= Grid point 492 (182/288) ======================= q-point: ( 0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -0.561 4.877 -6.423) 8.084 2.279 ( 11.773 12.577 -2.476) 17.405 2.924 ( 4.262 3.808 0.948) 5.794 3.123 ( 2.379 11.089 -4.727) 12.288 3.864 ( -0.802 7.682 2.802) 8.217 4.329 ( -0.259 6.654 7.015) 9.673 5.478 ( 6.627 6.399 2.393) 9.517 5.828 ( -1.265 -1.345 -0.276) 1.867 6.066 ( -0.021 1.419 -1.454) 2.032 6.341 ( -0.042 -3.220 -1.122) 3.410 6.894 ( -1.003 -12.526 0.937) 12.601 7.978 ( -5.529 -2.805 -6.763) 9.174 ======================= Grid point 493 (183/288) ======================= q-point: ( 0.57 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 3.148 4.659 -3.731) 6.748 2.640 ( 15.188 13.292 -1.218) 20.220 3.055 ( 6.391 3.200 -0.975) 7.214 3.277 ( 5.672 8.033 1.122) 9.898 3.883 ( -0.991 -0.384 1.669) 1.979 4.398 ( -3.355 7.809 2.659) 8.905 5.685 ( 8.660 5.280 2.256) 10.391 5.796 ( -1.297 0.842 -1.502) 2.156 6.088 ( 0.412 3.106 -1.297) 3.391 6.301 ( -0.020 -3.692 -0.364) 3.710 6.753 ( -2.362 -10.413 -0.259) 10.681 7.823 ( -7.152 -1.959 -3.676) 8.277 ======================= Grid point 494 (184/288) ======================= q-point: ( 0.64 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 4.061 4.580 -1.402) 6.279 3.000 ( 9.779 13.538 1.091) 16.736 3.184 ( 5.241 3.997 -3.500) 7.463 3.492 ( 10.977 4.548 4.423) 12.678 3.865 ( 1.393 -3.680 2.107) 4.464 4.358 ( -8.362 4.013 -2.077) 9.504 5.764 ( -0.622 1.587 -1.075) 2.015 5.892 ( 6.094 4.079 1.594) 7.504 6.111 ( -1.339 2.263 -1.706) 3.135 6.296 ( 3.349 -0.742 -0.209) 3.437 6.613 ( -3.391 -7.032 -0.391) 7.817 7.689 ( -5.153 -2.005 -0.998) 5.618 ======================= Grid point 495 (185/288) ======================= q-point: ( 0.71 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 2.597 3.567 -0.612) 4.454 3.219 ( 3.175 7.901 3.013) 9.033 3.276 ( 0.556 4.899 -2.405) 5.485 3.703 ( 4.603 3.927 0.392) 6.063 3.923 ( 7.981 -1.097 2.075) 8.319 4.201 ( -8.345 -1.627 -2.185) 8.778 5.783 ( 1.120 2.452 -1.085) 2.906 6.000 ( 2.928 1.288 2.219) 3.893 6.065 ( -3.095 -1.415 -1.400) 3.680 6.384 ( 3.333 4.004 -1.206) 5.348 6.517 ( -1.897 -2.288 0.476) 3.010 7.601 ( -1.967 -3.190 -0.010) 3.748 ======================= Grid point 496 (186/288) ======================= q-point: (-0.21 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 0.360 2.092 -0.678) 2.228 3.258 ( -5.830 1.380 0.712) 6.034 3.319 ( 1.886 2.438 1.832) 3.586 3.755 ( 0.469 0.414 -0.142) 0.641 3.888 ( -15.578 9.054 -3.544) 18.363 4.221 ( 13.017 -6.992 1.782) 14.883 5.838 ( 2.340 2.215 0.023) 3.222 5.960 ( -6.196 0.179 -0.831) 6.254 6.083 ( 6.159 -2.974 0.553) 6.862 6.433 ( -2.046 4.884 -0.061) 5.296 6.503 ( -0.022 -0.112 -0.286) 0.308 7.564 ( 1.590 -3.039 0.079) 3.431 ======================= Grid point 497 (187/288) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -2.116 0.883 -1.183) 2.580 3.110 ( -11.667 -1.989 1.848) 11.979 3.336 ( 0.347 -4.618 -0.623) 4.673 3.661 ( -12.106 6.771 1.255) 13.927 3.824 ( -0.740 5.214 1.422) 5.455 4.324 ( 5.115 -5.704 -2.350) 8.013 5.851 ( -6.308 0.439 1.003) 6.402 5.888 ( 1.081 0.431 -0.459) 1.251 6.161 ( 4.846 -1.833 -2.318) 5.676 6.440 ( -2.678 4.678 0.011) 5.391 6.483 ( 1.316 -3.447 0.190) 3.694 7.603 ( 4.705 -0.270 -0.067) 4.713 ======================= Grid point 506 (188/288) ======================= q-point: ( 0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -0.000 1.429 -8.130) 8.254 2.249 ( -0.000 9.454 -3.851) 10.208 2.933 ( -0.000 4.020 2.060) 4.517 3.193 ( -0.000 8.951 -1.599) 9.092 3.919 ( 0.000 -0.411 3.245) 3.271 4.454 ( -0.000 12.142 5.207) 13.211 5.476 ( -0.000 4.277 2.141) 4.783 5.836 ( -0.000 0.712 -0.464) 0.850 6.080 ( -0.000 2.613 -1.475) 3.000 6.308 ( 0.000 -3.904 0.970) 4.022 6.791 ( 0.000 -9.661 -1.492) 9.775 7.976 ( -0.000 -3.077 -5.382) 6.200 ======================= Grid point 507 (189/288) ======================= q-point: ( 0.57 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 2.511 2.134 -4.435) 5.525 2.452 ( 14.188 7.610 -3.470) 16.470 3.007 ( 3.394 3.404 1.567) 5.056 3.286 ( 2.270 6.125 1.575) 6.719 3.893 ( -1.261 -3.861 3.259) 5.207 4.559 ( -2.935 10.444 0.956) 10.891 5.581 ( 7.354 2.652 1.176) 7.905 5.836 ( -1.556 2.705 -1.143) 3.323 6.110 ( 0.426 3.553 -0.701) 3.646 6.267 ( -0.308 -4.829 2.131) 5.287 6.693 ( -1.392 -6.526 -2.776) 7.227 7.894 ( -4.386 -2.238 -3.144) 5.842 ======================= Grid point 508 (190/288) ======================= q-point: ( 0.64 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 5.073 3.144 -0.740) 6.014 2.821 ( 20.311 7.304 -3.413) 21.852 3.114 ( 5.130 2.339 0.262) 5.644 3.403 ( 5.182 2.511 5.328) 7.845 3.838 ( -1.285 -4.363 2.778) 5.330 4.550 ( -7.421 6.455 -2.963) 10.272 5.752 ( 7.794 1.124 0.158) 7.877 5.841 ( -0.078 4.182 -1.351) 4.395 6.153 ( -0.005 3.609 -0.201) 3.614 6.228 ( 1.462 -4.703 2.436) 5.494 6.597 ( -2.573 -3.944 -2.534) 5.347 7.777 ( -6.327 -1.038 -1.032) 6.494 ======================= Grid point 509 (191/288) ======================= q-point: ( 0.71 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 4.309 2.524 0.594) 5.029 3.179 ( 10.200 4.088 -1.344) 11.071 3.232 ( 8.048 3.623 -4.342) 9.836 3.565 ( 11.978 -1.459 7.962) 14.457 3.789 ( 0.067 -4.442 2.081) 4.906 4.424 ( -11.657 4.241 -4.041) 13.046 5.809 ( -0.435 3.386 -1.189) 3.615 5.922 ( 4.370 -1.605 1.041) 4.770 6.147 ( -3.741 2.363 -0.520) 4.455 6.293 ( 8.137 -0.672 1.156) 8.247 6.525 ( -1.841 -1.334 -0.984) 2.477 7.658 ( -6.205 -0.694 -0.099) 6.245 ======================= Grid point 510 (192/288) ======================= q-point: (-0.21 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 2.179 1.079 0.540) 2.490 3.265 ( 3.719 -3.179 -0.675) 4.939 3.335 ( -1.062 2.031 -1.446) 2.710 3.754 ( 0.294 0.667 0.130) 0.741 3.857 ( 19.318 -6.672 2.634) 20.607 4.235 ( -14.140 5.475 -1.127) 15.205 5.840 ( 0.420 3.311 -0.302) 3.351 5.953 ( 3.723 -4.813 0.519) 6.107 6.085 ( -5.694 2.709 0.171) 6.307 6.435 ( 5.775 1.145 -0.495) 5.909 6.499 ( -0.460 -0.481 0.552) 0.865 7.565 ( -3.438 -0.118 -0.053) 3.440 ======================= Grid point 511 (193/288) ======================= q-point: (-0.14 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 0.045 0.079 -0.000) 0.091 3.254 ( -2.471 -4.280 -0.000) 4.943 3.256 ( -3.237 -5.606 0.000) 6.473 3.758 ( 0.133 0.230 -0.000) 0.265 4.021 ( -1.763 -3.053 -0.000) 3.525 4.132 ( 2.487 4.308 0.000) 4.974 5.876 ( 0.764 1.323 -0.000) 1.527 5.939 ( -1.925 -3.335 0.000) 3.850 6.069 ( 1.852 3.207 0.000) 3.703 6.447 ( -1.846 -3.197 0.000) 3.691 6.503 ( -0.101 -0.175 -0.000) 0.203 7.562 ( 1.657 2.871 -0.000) 3.315 ======================= Grid point 522 (194/288) ======================= q-point: ( 0.57 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -0.000 2.089 -1.999) 2.891 2.379 ( -0.000 5.833 -1.417) 6.003 3.009 ( -0.000 2.148 1.014) 2.375 3.324 ( 0.000 3.842 2.829) 4.771 3.870 ( 0.000 -4.850 3.317) 5.876 4.675 ( -0.000 7.380 -2.060) 7.662 5.532 ( -0.000 0.823 0.041) 0.824 5.885 ( -0.000 4.751 -1.151) 4.888 6.139 ( -0.000 3.320 -0.129) 3.323 6.223 ( 0.000 -6.440 3.322) 7.247 6.654 ( -0.000 -2.145 -3.907) 4.457 7.904 ( -0.000 -1.663 -1.688) 2.369 ======================= Grid point 523 (195/288) ======================= q-point: ( 0.64 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 3.547 3.536 1.756) 5.308 2.556 ( 14.306 4.443 -0.453) 14.987 3.054 ( 3.341 0.403 -0.032) 3.365 3.380 ( 2.043 1.393 4.824) 5.421 3.826 ( -0.963 -3.919 2.514) 4.755 4.683 ( -3.626 2.967 -4.985) 6.841 5.602 ( 7.664 -0.310 -1.017) 7.737 5.916 ( -2.052 5.721 -1.127) 6.182 6.163 ( 0.285 -5.028 3.270) 6.004 6.181 ( 0.880 0.949 0.596) 1.425 6.614 ( -2.315 0.290 -3.419) 4.139 7.858 ( -3.784 -0.198 -0.230) 3.797 ======================= Grid point 524 (196/288) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 4.268 2.635 2.771) 5.730 2.905 ( 20.714 2.636 -1.913) 20.969 3.122 ( 5.322 -1.213 -1.390) 5.632 3.449 ( 3.681 -1.857 7.701) 8.735 3.781 ( -1.286 -2.125 1.220) 2.768 4.590 ( -6.457 0.158 -5.631) 8.569 5.744 ( 8.735 -1.408 -1.599) 8.991 5.920 ( -2.555 3.122 0.064) 4.035 6.152 ( 4.205 -3.233 1.566) 5.530 6.216 ( -0.028 2.216 1.668) 2.774 6.563 ( -3.252 1.493 -2.086) 4.142 7.772 ( -6.494 0.864 0.331) 6.559 ======================= Grid point 525 (197/288) ======================= q-point: (-0.21 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 3.085 0.320 2.073) 3.731 3.123 ( 6.849 -7.484 -2.721) 10.503 3.288 ( 11.233 4.290 -5.064) 13.047 3.522 ( 8.680 -8.056 8.838) 14.777 3.762 ( -0.067 1.278 0.241) 1.303 4.450 ( -7.795 0.052 -2.650) 8.233 5.829 ( 4.520 -2.556 -1.869) 5.519 5.894 ( -1.821 -0.157 1.600) 2.429 6.195 ( -2.407 1.784 1.000) 3.158 6.296 ( 8.754 1.120 1.246) 8.913 6.527 ( -2.499 1.635 -0.832) 3.100 7.665 ( -6.899 1.573 0.140) 7.077 ======================= Grid point 537 (198/288) ======================= q-point: (-0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 0.000 5.428 5.254) 7.554 2.464 ( 0.000 2.490 1.765) 3.052 3.018 ( 0.000 -1.421 -0.730) 1.598 3.388 ( 0.000 0.300 5.680) 5.688 3.808 ( 0.000 -2.667 1.720) 3.173 4.696 ( -0.000 -2.075 -7.459) 7.742 5.519 ( -0.000 -1.245 -1.893) 2.265 5.992 ( -0.000 4.776 -0.389) 4.791 6.111 ( 0.000 -4.729 2.536) 5.366 6.187 ( 0.000 0.825 1.092) 1.369 6.640 ( -0.000 2.313 -2.979) 3.772 7.898 ( -0.000 1.496 0.618) 1.618 ======================= Grid point 538 (199/288) ======================= q-point: (-0.29 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 1.101 4.058 5.613) 7.014 2.612 ( 13.727 0.026 1.459) 13.804 3.022 ( 3.258 -2.657 -1.270) 4.391 3.420 ( 1.307 -0.969 7.500) 7.674 3.788 ( -0.707 -0.761 0.626) 1.213 4.608 ( -2.001 -6.108 -8.322) 10.515 5.566 ( 7.594 -2.057 -2.238) 8.180 5.976 ( -1.888 -3.145 1.174) 3.851 6.111 ( -0.385 2.859 0.840) 3.005 6.218 ( 2.182 1.043 1.930) 3.094 6.636 ( -2.620 3.341 -2.143) 4.756 7.887 ( -4.198 2.946 0.747) 5.183 ======================= Grid point 539 (200/288) ======================= q-point: (-0.21 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 1.448 0.128 3.798) 4.067 2.838 ( 14.022 -9.120 -2.899) 16.976 3.099 ( 9.432 0.745 -0.801) 9.495 3.445 ( 0.522 -3.561 8.267) 9.016 3.783 ( -0.344 2.199 0.179) 2.233 4.478 ( -1.769 -7.819 -5.975) 9.998 5.680 ( 8.172 -3.660 -2.198) 9.220 5.917 ( -1.125 -3.221 1.548) 3.746 6.151 ( 2.932 0.716 0.039) 3.019 6.283 ( 1.249 3.946 3.513) 5.428 6.612 ( -3.836 4.526 -1.686) 6.168 7.818 ( -7.505 3.611 0.373) 8.337 ======================= Grid point 552 (201/288) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 0.000 3.555 5.931) 6.915 2.476 ( 0.000 -3.610 2.091) 4.172 2.960 ( 0.000 -3.038 -0.740) 3.127 3.429 ( 0.000 -0.806 8.979) 9.015 3.796 ( -0.000 1.141 0.063) 1.143 4.500 ( -0.000 -11.910 -9.985) 15.542 5.467 ( -0.000 -2.451 -2.229) 3.313 5.940 ( 0.000 -6.001 1.356) 6.153 6.180 ( 0.000 -2.213 1.260) 2.547 6.205 ( -0.000 8.611 1.529) 8.746 6.691 ( -0.000 4.376 -1.621) 4.667 7.966 ( -0.000 4.845 0.439) 4.865 ======================= Grid point 553 (202/288) ======================= q-point: (-0.21 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -1.545 -1.356 3.658) 4.196 2.521 ( 9.926 -10.189 -1.470) 14.301 2.975 ( 4.942 -1.144 0.702) 5.121 3.447 ( -0.320 -2.173 9.123) 9.384 3.819 ( -0.103 3.948 0.782) 4.026 4.336 ( 1.173 -15.510 -8.957) 17.949 5.498 ( 6.882 -3.357 -1.797) 7.865 5.889 ( -0.148 -4.331 1.237) 4.507 6.143 ( -0.955 -1.787 0.521) 2.092 6.317 ( 1.771 7.177 3.060) 8.001 6.715 ( -2.431 5.862 -1.368) 6.492 7.977 ( -4.974 5.756 -0.271) 7.612 ======================= Grid point 567 (203/288) ======================= q-point: (-0.21 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 0.000 -6.294 0.310) 6.302 2.313 ( 0.000 -13.225 -1.771) 13.343 2.922 ( 0.000 -1.061 1.926) 2.199 3.457 ( 0.000 -3.223 8.493) 9.084 3.869 ( 0.000 3.800 3.884) 5.434 4.112 ( 0.000 -18.632 -10.318) 21.298 5.399 ( 0.000 -3.344 -0.766) 3.431 5.858 ( 0.000 -2.368 0.901) 2.533 6.127 ( 0.000 -3.296 0.349) 3.314 6.390 ( -0.000 7.941 3.380) 8.631 6.796 ( -0.000 7.182 -1.017) 7.254 8.082 ( -0.000 6.920 -1.578) 7.098 ======================= Grid point 644 (204/288) ======================= q-point: ( 0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 0.000 -0.000 22.062) 22.062 0.724 ( 0.000 -0.000 22.062) 22.062 1.178 ( 0.000 -0.000 37.121) 37.121 2.826 ( -0.000 0.000 -4.286) 4.286 2.826 ( -0.000 0.000 -4.286) 4.286 4.910 ( -0.000 0.000 -16.860) 16.860 5.033 ( -0.000 0.000 -1.989) 1.989 5.033 ( -0.000 0.000 -1.989) 1.989 6.210 ( 0.000 -0.000 1.490) 1.490 6.210 ( 0.000 -0.000 1.490) 1.490 7.697 ( 0.000 -0.000 8.149) 8.149 8.295 ( -0.000 0.000 -2.968) 2.968 ======================= Grid point 645 (205/288) ======================= q-point: ( 0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 6.615 3.819 18.120) 19.664 0.970 ( 7.759 4.480 23.232) 24.900 1.550 ( 20.923 12.080 19.728) 31.191 2.840 ( 1.577 0.911 -4.040) 4.431 2.867 ( 5.923 3.419 -2.993) 7.465 4.516 ( -7.447 -4.300 -6.471) 10.762 5.082 ( 3.536 2.041 -1.778) 4.453 5.788 ( 32.534 18.784 -24.380) 44.785 6.177 ( -2.641 -1.525 1.416) 3.362 6.194 ( -2.407 -1.390 0.632) 2.850 7.676 ( -4.242 -2.449 8.360) 9.690 8.282 ( -1.595 -0.921 -6.751) 6.997 ======================= Grid point 646 (206/288) ======================= q-point: ( 0.36 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 13.568 7.833 11.012) 19.150 1.217 ( 8.003 4.620 17.742) 20.005 2.109 ( 23.740 13.706 -0.766) 27.423 2.870 ( 2.149 1.241 -3.551) 4.333 3.090 ( 13.345 7.705 4.044) 15.931 4.405 ( -1.698 -0.980 -6.347) 6.643 5.179 ( 5.382 3.107 -1.472) 6.386 6.107 ( -4.897 -2.827 0.012) 5.655 6.107 ( -3.742 -2.161 1.155) 4.473 6.269 ( 16.713 9.649 -14.904) 24.384 7.569 ( -7.285 -4.206 9.461) 12.660 8.145 ( -7.692 -4.441 -10.486) 13.742 ======================= Grid point 647 (207/288) ======================= q-point: ( 0.43 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 8.959 5.173 7.226) 12.619 1.469 ( 15.881 9.169 5.711) 19.206 2.602 ( 20.973 12.109 -8.782) 25.760 2.913 ( 2.452 1.416 -2.826) 4.001 3.457 ( 15.553 8.980 8.164) 19.728 4.377 ( 0.422 0.244 -2.735) 2.778 5.309 ( 5.983 3.454 -0.774) 6.951 5.984 ( -5.236 -3.023 -0.344) 6.055 6.034 ( -2.650 -1.530 0.758) 3.153 6.484 ( 5.581 3.222 -7.958) 10.240 7.405 ( -10.746 -6.204 9.856) 15.846 7.915 ( -7.332 -4.233 -11.595) 14.357 ======================= Grid point 648 (208/288) ======================= q-point: ( 0.50 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 9.474 5.470 -0.456) 10.949 1.839 ( 15.101 8.719 2.172) 17.572 2.961 ( 2.317 1.338 -1.871) 3.265 3.011 ( 17.146 9.899 -7.786) 21.274 3.786 ( 10.445 6.030 5.375) 13.204 4.400 ( 1.404 0.811 2.163) 2.703 5.427 ( 4.023 2.323 0.556) 4.678 5.886 ( -2.950 -1.703 -0.552) 3.450 6.010 ( 0.830 0.479 -0.229) 0.986 6.499 ( -1.263 -0.729 -5.358) 5.552 7.104 ( -16.957 -9.790 3.222) 19.843 7.811 ( 0.249 0.144 -4.457) 4.467 ======================= Grid point 649 (209/288) ======================= q-point: ( 0.57 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 8.745 5.049 -4.483) 11.048 2.157 ( 12.213 7.051 -0.214) 14.104 3.002 ( 1.518 0.876 -0.730) 1.899 3.320 ( 11.747 6.782 -6.919) 15.227 3.954 ( 3.294 1.902 2.075) 4.332 4.439 ( 0.542 0.313 6.244) 6.275 5.485 ( 0.850 0.490 1.848) 2.092 5.851 ( 0.187 0.108 -1.429) 1.445 6.069 ( 4.134 2.387 -1.147) 4.910 6.448 ( -1.032 -0.596 -3.358) 3.564 6.720 ( -15.873 -9.164 0.583) 18.338 7.842 ( 2.149 1.241 -0.469) 2.525 ======================= Grid point 650 (210/288) ======================= q-point: ( 0.64 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 7.289 4.208 -6.155) 10.427 2.386 ( 8.055 4.651 -1.758) 9.466 3.019 ( -0.032 -0.019 0.402) 0.403 3.496 ( 6.014 3.472 -8.398) 10.897 3.954 ( -2.936 -1.695 -1.917) 3.895 4.472 ( 0.018 0.010 11.217) 11.217 5.491 ( -0.688 -0.397 2.323) 2.455 5.885 ( 3.266 1.886 -1.382) 4.017 6.162 ( 3.713 2.143 -1.357) 4.497 6.372 ( -8.584 -4.956 -5.831) 11.500 6.496 ( -0.457 -0.264 5.827) 5.851 7.882 ( 1.382 0.798 -0.319) 1.627 ======================= Grid point 651 (211/288) ======================= q-point: (-0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 5.510 3.181 -5.784) 8.599 2.506 ( 2.887 1.667 -2.219) 4.005 3.000 ( -1.735 -1.002 0.929) 2.208 3.554 ( 2.211 1.277 -11.098) 11.388 3.851 ( -4.210 -2.431 -2.441) 5.440 4.491 ( -2.762 -1.595 13.170) 13.551 5.476 ( -1.263 -0.729 2.235) 2.669 5.986 ( 4.598 2.655 0.191) 5.313 6.173 ( -5.531 -3.194 -3.522) 7.294 6.211 ( 0.800 0.462 -1.215) 1.526 6.567 ( 3.651 2.108 4.146) 5.913 7.910 ( 1.533 0.885 -0.524) 1.846 ======================= Grid point 652 (212/288) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 1.761 1.017 -3.446) 4.001 2.491 ( -4.079 -2.355 -0.826) 4.782 2.957 ( -1.888 -1.090 -0.083) 2.182 3.531 ( -0.796 -0.459 -11.737) 11.773 3.801 ( 0.933 0.539 -0.951) 1.437 4.395 ( -9.791 -5.653 11.346) 16.017 5.448 ( -1.828 -1.055 1.740) 2.736 5.952 ( -5.168 -2.984 -1.011) 6.052 6.191 ( -2.089 -1.206 -0.912) 2.579 6.222 ( 7.809 4.509 -2.016) 9.240 6.671 ( 4.517 2.608 2.526) 5.795 7.966 ( 3.648 2.106 0.580) 4.252 ======================= Grid point 659 (213/288) ======================= q-point: ( 0.29 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 0.000 14.744 18.093) 23.340 1.056 ( 0.000 13.460 15.488) 20.520 1.591 ( 0.000 17.808 23.789) 29.716 2.784 ( -0.000 -0.108 -4.715) 4.717 2.885 ( -0.000 7.381 -3.348) 8.105 4.496 ( -0.000 -9.406 -7.003) 11.726 5.019 ( -0.000 1.486 -1.672) 2.237 5.733 ( -0.000 36.365 -21.344) 42.166 6.174 ( 0.000 -3.730 0.886) 3.834 6.208 ( 0.000 -1.766 1.308) 2.198 7.699 ( 0.000 -5.594 8.442) 10.127 8.281 ( -0.000 0.373 -6.902) 6.912 ======================= Grid point 660 (214/288) ======================= q-point: ( 0.36 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 1.134 18.339 11.034) 21.433 1.289 ( 2.813 12.409 18.702) 22.620 1.956 ( 12.287 20.104 4.282) 23.947 2.824 ( 4.398 1.242 -3.828) 5.961 3.004 ( 6.181 9.783 1.276) 11.642 4.387 ( -1.276 -3.332 -6.817) 7.695 5.099 ( 5.917 2.518 -1.352) 6.571 6.079 ( 8.629 11.677 -11.305) 18.402 6.126 ( 1.327 2.796 -3.669) 4.800 6.164 ( -2.798 -2.124 0.579) 3.560 7.627 ( -3.313 -8.350 8.905) 12.649 8.203 ( -5.696 -1.941 -9.639) 11.364 ======================= Grid point 661 (215/288) ======================= q-point: ( 0.43 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 5.972 15.751 5.498) 17.719 1.498 ( 1.708 14.476 14.254) 20.387 2.385 ( 16.724 17.333 -8.257) 25.462 2.893 ( 2.350 3.477 -3.984) 5.786 3.309 ( 14.499 10.006 7.343) 19.086 4.346 ( 0.934 -1.127 -4.238) 4.484 5.240 ( 6.553 4.722 -1.036) 8.143 6.012 ( -3.285 -5.383 -0.140) 6.308 6.083 ( -3.802 -1.679 0.832) 4.238 6.373 ( 8.694 6.972 -8.824) 14.214 7.493 ( -5.330 -10.258 10.008) 15.291 7.997 ( -10.083 -2.773 -11.646) 15.652 ======================= Grid point 662 (216/288) ======================= q-point: ( 0.50 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 4.022 9.600 2.933) 10.814 1.800 ( 7.475 19.237 5.775) 21.431 2.807 ( 17.017 14.202 -7.646) 23.447 2.951 ( 1.525 4.195 -3.353) 5.583 3.664 ( 12.920 7.066 5.409) 15.687 4.364 ( 2.756 -0.576 -0.097) 2.817 5.397 ( 5.124 6.347 -0.270) 8.162 5.906 ( -2.972 -4.146 -0.485) 5.125 6.024 ( -1.884 -0.078 0.504) 1.952 6.466 ( 1.949 -0.500 -5.995) 6.324 7.269 ( -12.143 -12.222 5.892) 18.208 7.813 ( -3.853 -0.559 -6.777) 7.816 ======================= Grid point 663 (217/288) ======================= q-point: ( 0.57 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 5.157 8.470 -1.105) 9.978 2.123 ( 6.803 17.765 2.656) 19.208 3.004 ( 0.862 4.057 -2.019) 4.613 3.175 ( 13.112 11.213 -5.929) 18.243 3.895 ( 6.907 2.454 2.190) 7.650 4.413 ( 3.067 -1.417 3.262) 4.696 5.518 ( 0.968 6.652 0.992) 6.794 5.839 ( -0.628 -2.376 -1.068) 2.679 6.034 ( 2.045 2.008 -0.353) 2.887 6.435 ( -0.547 -2.264 -4.451) 5.024 6.907 ( -16.256 -10.480 0.936) 19.364 7.797 ( 2.449 -0.869 -0.469) 2.640 ======================= Grid point 664 (218/288) ======================= q-point: ( 0.64 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 5.086 6.982 -3.708) 9.400 2.386 ( 3.784 15.754 0.552) 16.211 3.042 ( -0.447 3.397 -0.568) 3.473 3.419 ( 6.664 7.707 -6.760) 12.227 3.961 ( -0.051 -1.501 -0.820) 1.711 4.462 ( 3.286 -2.276 7.289) 8.313 5.568 ( -3.017 6.542 1.899) 7.451 5.835 ( 2.499 -0.631 -1.334) 2.902 6.116 ( 4.121 2.836 -0.942) 5.090 6.395 ( -1.106 -2.494 -5.279) 5.942 6.582 ( -10.599 -5.555 3.728) 12.534 7.835 ( 3.106 -2.154 0.405) 3.802 ======================= Grid point 665 (219/288) ======================= q-point: ( 0.71 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 4.487 5.116 -5.169) 8.546 2.560 ( -0.499 13.661 -0.836) 13.695 3.046 ( -2.419 2.156 0.761) 3.328 3.518 ( 1.411 4.271 -8.918) 9.988 3.881 ( -3.921 -3.598 -2.997) 6.108 4.523 ( 1.921 -2.251 11.039) 11.429 5.568 ( -4.853 6.320 2.163) 8.256 5.907 ( 5.792 0.983 -0.274) 5.881 6.199 ( 2.474 2.456 -1.245) 3.701 6.242 ( -7.674 -4.361 -4.217) 9.782 6.532 ( 2.548 -0.231 4.578) 5.245 7.860 ( 2.888 -2.756 -0.376) 4.009 ======================= Grid point 666 (220/288) ======================= q-point: (-0.21 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 3.323 2.214 -5.111) 6.486 2.623 ( -6.445 10.488 -0.749) 12.333 3.011 ( -3.656 1.512 0.969) 4.073 3.509 ( -1.225 1.000 -10.667) 10.783 3.796 ( -1.064 -1.594 -1.021) 2.172 4.514 ( -4.601 -3.813 10.637) 12.200 5.545 ( -5.643 5.620 2.125) 8.243 5.984 ( -0.649 -2.680 -0.412) 2.788 6.124 ( 1.375 0.168 -1.862) 2.320 6.237 ( 0.027 3.079 -1.917) 3.627 6.611 ( 4.866 -0.062 3.001) 5.717 7.892 ( 4.531 -2.321 -0.341) 5.102 ======================= Grid point 674 (221/288) ======================= q-point: ( 0.36 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 0.000 17.514 12.416) 21.468 1.419 ( -0.000 15.369 7.300) 17.015 2.115 ( -0.000 25.136 2.650) 25.275 2.766 ( -0.000 1.142 -3.486) 3.669 3.071 ( -0.000 12.054 2.233) 12.259 4.344 ( -0.000 -2.970 -5.426) 6.185 5.075 ( -0.000 4.821 -0.237) 4.826 6.061 ( 0.000 -2.961 -1.034) 3.136 6.162 ( -0.000 14.937 -10.381) 18.191 6.162 ( 0.000 -3.206 0.525) 3.249 7.581 ( 0.000 -11.835 8.442) 14.537 8.207 ( -0.000 -1.667 -10.758) 10.886 ======================= Grid point 675 (222/288) ======================= q-point: ( 0.43 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.065 15.585 3.757) 16.032 1.663 ( 3.593 15.296 9.805) 18.520 2.379 ( 4.070 23.417 -7.565) 24.943 2.839 ( 5.865 2.668 -3.781) 7.471 3.265 ( 6.228 13.710 7.332) 16.749 4.310 ( 0.337 -1.250 -2.898) 3.174 5.183 ( 5.531 6.226 0.308) 8.334 5.997 ( -1.611 -5.944 0.411) 6.172 6.114 ( -1.943 -2.806 0.114) 3.415 6.308 ( 4.583 8.801 -7.113) 12.209 7.462 ( -1.931 -13.962 8.473) 16.446 8.090 ( -6.906 -1.906 -11.803) 13.807 ======================= Grid point 676 (223/288) ======================= q-point: ( 0.50 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 1.058 10.812 0.527) 10.876 1.936 ( 4.979 19.904 7.324) 21.785 2.696 ( 11.149 19.076 -6.942) 23.159 2.942 ( 3.669 4.147 -4.847) 7.359 3.562 ( 9.770 10.854 5.711) 15.680 4.315 ( 1.828 -0.601 0.451) 1.977 5.366 ( 6.871 8.068 0.528) 10.610 5.905 ( -2.478 -5.085 -0.021) 5.657 6.056 ( -2.040 -1.138 -0.059) 2.337 6.403 ( 2.821 0.693 -4.727) 5.548 7.295 ( -4.492 -15.094 7.292) 17.355 7.894 ( -8.628 -0.711 -9.763) 13.048 ======================= Grid point 677 (224/288) ======================= q-point: ( 0.57 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 2.578 9.313 -0.649) 9.685 2.251 ( 4.725 21.617 5.402) 22.778 3.019 ( 2.258 4.873 -3.475) 6.397 3.063 ( 12.702 15.174 -4.399) 20.272 3.802 ( 7.503 4.788 1.219) 8.984 4.353 ( 2.636 -1.454 2.639) 4.003 5.559 ( 4.585 9.441 0.962) 10.540 5.824 ( -1.562 -3.515 -0.713) 3.912 6.034 ( -0.101 1.067 -0.270) 1.105 6.397 ( 0.205 -2.788 -3.969) 4.855 7.037 ( -10.813 -13.231 2.517) 17.271 7.770 ( -2.102 -1.081 -3.115) 3.910 ======================= Grid point 678 (225/288) ======================= q-point: ( 0.64 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 3.051 8.284 -1.383) 8.936 2.539 ( 2.116 21.162 3.964) 21.633 3.083 ( 0.587 5.077 -2.022) 5.496 3.371 ( 8.216 11.785 -4.485) 15.050 3.921 ( 3.335 0.098 -0.570) 3.385 4.383 ( 3.335 -4.011 3.758) 6.429 5.694 ( -0.553 9.433 1.632) 9.589 5.789 ( 0.938 -1.388 -1.221) 2.072 6.076 ( 2.925 2.184 -0.521) 3.687 6.359 ( 0.238 -2.393 -3.738) 4.445 6.727 ( -12.101 -8.269 1.288) 14.713 7.754 ( 2.355 -3.384 0.314) 4.135 ======================= Grid point 679 (226/288) ======================= q-point: ( 0.71 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 2.333 6.789 -2.503) 7.603 2.758 ( -1.596 19.826 2.720) 20.075 3.119 ( -1.721 4.462 -0.107) 4.784 3.530 ( 1.302 7.903 -7.103) 10.706 3.897 ( -3.184 -3.162 -3.181) 5.500 4.445 ( 6.600 -4.489 7.596) 11.018 5.738 ( -3.997 7.434 1.430) 8.560 5.830 ( 3.480 1.982 -0.313) 4.017 6.156 ( 4.187 1.223 -0.479) 4.388 6.302 ( -4.347 -2.143 -4.679) 6.737 6.535 ( -3.436 -2.535 3.564) 5.562 7.765 ( 3.301 -4.904 0.210) 5.915 ======================= Grid point 680 (227/288) ======================= q-point: (-0.21 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 1.244 4.538 -3.499) 5.864 2.886 ( -6.692 17.622 2.006) 18.957 3.108 ( -4.012 3.409 1.468) 5.465 3.535 ( -3.575 3.298 -9.786) 10.928 3.795 ( -2.083 -3.023 -1.601) 4.005 4.523 ( 2.988 -4.281 8.020) 9.569 5.727 ( -6.038 6.939 1.693) 9.353 5.920 ( 4.443 0.115 -0.046) 4.444 6.169 ( -5.143 0.443 -1.995) 5.534 6.234 ( 2.218 1.683 -1.876) 3.357 6.540 ( 3.047 -1.148 2.609) 4.173 7.776 ( 4.244 -5.232 -0.337) 6.745 ======================= Grid point 689 (228/288) ======================= q-point: ( 0.43 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -0.000 15.068 -0.029) 15.068 1.748 ( -0.000 11.350 2.718) 11.670 2.574 ( -0.000 23.624 -10.458) 25.836 2.789 ( -0.000 2.646 -0.678) 2.731 3.398 ( -0.000 16.897 9.128) 19.205 4.294 ( 0.000 -0.419 -0.120) 0.436 5.202 ( -0.000 7.405 1.574) 7.571 5.955 ( 0.000 -5.716 0.777) 5.769 6.098 ( 0.000 -2.933 -0.657) 3.006 6.329 ( -0.000 5.799 -4.230) 7.178 7.352 ( 0.000 -16.117 6.903) 17.533 8.095 ( -0.000 -1.696 -11.965) 12.085 ======================= Grid point 690 (229/288) ======================= q-point: ( 0.50 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -1.192 8.835 -3.389) 9.538 1.997 ( 9.054 14.779 0.394) 17.336 2.762 ( 2.176 18.726 -4.953) 19.491 2.882 ( 5.382 4.901 -3.774) 8.199 3.616 ( 2.196 15.731 7.001) 17.357 4.301 ( 0.385 0.553 2.837) 2.916 5.337 ( 5.680 8.132 1.906) 10.101 5.892 ( -1.498 -4.740 0.453) 4.991 6.064 ( -0.729 -1.598 -1.023) 2.032 6.366 ( 1.063 0.797 -2.267) 2.628 7.200 ( -1.068 -16.671 5.484) 17.582 7.987 ( -6.083 -1.079 -10.522) 12.201 ======================= Grid point 691 (230/288) ======================= q-point: ( 0.57 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 2.013 7.470 -3.126) 8.344 2.335 ( 10.878 17.138 1.393) 20.346 2.978 ( 6.318 5.234 -0.957) 8.260 3.038 ( 6.468 14.740 -3.811) 16.541 3.790 ( 1.777 8.928 1.715) 9.263 4.332 ( 0.481 1.070 3.999) 4.168 5.547 ( 7.650 8.844 1.605) 11.803 5.820 ( -2.027 -3.227 -0.284) 3.821 6.045 ( -0.279 0.604 -0.960) 1.168 6.358 ( -0.049 -2.424 -1.729) 2.978 7.019 ( -3.358 -15.549 3.072) 16.202 7.832 ( -6.846 -0.522 -6.267) 9.296 ======================= Grid point 692 (231/288) ======================= q-point: ( 0.64 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 3.402 7.188 -1.425) 8.079 2.684 ( 7.610 18.706 2.746) 20.380 3.091 ( 3.425 4.532 -2.644) 6.266 3.329 ( 9.985 12.520 -0.181) 16.015 3.875 ( 2.071 2.431 -0.283) 3.206 4.338 ( -1.166 -1.502 1.972) 2.739 5.749 ( 2.897 4.854 1.552) 5.862 5.775 ( 1.457 2.621 -0.954) 3.147 6.062 ( 0.836 2.034 -0.853) 2.359 6.324 ( 0.030 -2.307 -1.630) 2.825 6.800 ( -6.767 -11.500 0.754) 13.365 7.724 ( -2.794 -1.915 -1.571) 3.734 ======================= Grid point 693 (232/288) ======================= q-point: ( 0.71 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 2.556 6.388 -0.900) 6.939 2.964 ( 2.492 17.983 3.979) 18.586 3.172 ( 1.179 5.046 -1.556) 5.411 3.565 ( 4.008 9.883 -2.848) 11.039 3.909 ( -0.518 0.247 -2.154) 2.229 4.303 ( 2.978 -6.301 3.164) 7.654 5.756 ( 1.330 0.034 -0.427) 1.397 5.900 ( 0.140 8.274 0.948) 8.329 6.097 ( 2.302 -0.354 -0.206) 2.338 6.317 ( 0.353 1.111 -2.352) 2.625 6.598 ( -6.230 -5.644 1.060) 8.473 7.677 ( 0.704 -4.261 0.153) 4.322 ======================= Grid point 694 (233/288) ======================= q-point: ( 0.79 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 0.765 4.882 -1.365) 5.127 3.149 ( -1.857 15.075 4.225) 15.765 3.208 ( -2.205 4.404 1.022) 5.030 3.639 ( -4.056 8.467 -6.940) 11.675 3.816 ( -5.922 -2.279 -3.446) 7.221 4.377 ( 9.631 -6.982 5.503) 13.107 5.802 ( 2.715 1.379 0.344) 3.064 5.928 ( -3.617 3.797 -0.274) 5.252 6.142 ( 4.560 -2.205 0.508) 5.090 6.308 ( -4.472 5.389 -1.995) 7.282 6.514 ( -0.411 -1.242 1.218) 1.788 7.657 ( 2.662 -5.627 0.043) 6.225 ======================= Grid point 704 (234/288) ======================= q-point: ( 0.50 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -0.000 4.780 -7.145) 8.597 2.009 ( -0.000 13.064 -4.131) 13.702 2.860 ( -0.000 3.926 1.911) 4.366 2.924 ( -0.000 17.466 -5.453) 18.298 3.784 ( -0.000 14.414 5.351) 15.375 4.329 ( 0.000 2.946 5.259) 6.028 5.368 ( -0.000 7.274 2.569) 7.714 5.865 ( 0.000 -3.496 0.417) 3.521 6.052 ( -0.000 -0.587 -1.603) 1.707 6.357 ( 0.000 -0.720 -0.139) 0.733 7.057 ( 0.000 -16.409 3.001) 16.681 7.995 ( -0.000 -1.241 -9.522) 9.602 ======================= Grid point 705 (235/288) ======================= q-point: ( 0.57 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 0.954 4.635 -5.978) 7.624 2.245 ( 12.976 11.784 -4.222) 18.029 2.938 ( 3.440 4.057 1.852) 5.632 3.094 ( 2.979 13.853 -1.295) 14.229 3.890 ( -1.572 6.847 2.266) 7.382 4.387 ( -0.927 6.038 4.862) 7.808 5.500 ( 6.434 6.248 1.999) 9.189 5.826 ( -1.524 -1.789 -0.115) 2.354 6.051 ( 0.141 1.468 -1.367) 2.011 6.340 ( -0.502 -2.280 0.953) 2.522 6.903 ( -0.676 -14.770 0.789) 14.807 7.912 ( -4.867 -0.872 -6.721) 8.344 ======================= Grid point 706 (236/288) ======================= q-point: ( 0.64 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 4.318 5.255 -2.307) 7.182 2.617 ( 17.003 12.126 -3.315) 21.146 3.053 ( 4.606 3.791 0.586) 5.994 3.297 ( 6.773 10.044 2.823) 12.439 3.899 ( -1.600 0.775 1.584) 2.382 4.414 ( -4.405 5.225 0.639) 6.864 5.701 ( 8.934 5.056 0.978) 10.312 5.785 ( -1.741 0.342 -0.753) 1.927 6.077 ( 0.301 3.278 -0.771) 3.381 6.306 ( -0.747 -2.590 1.393) 3.034 6.748 ( -1.865 -11.976 -0.771) 12.144 7.790 ( -6.106 -0.646 -3.055) 6.858 ======================= Grid point 707 (237/288) ======================= q-point: ( 0.71 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 4.285 5.071 -0.269) 6.645 2.996 ( 12.759 12.236 -2.099) 17.802 3.165 ( 3.964 3.823 -0.382) 5.520 3.533 ( 9.107 6.585 3.799) 11.863 3.887 ( 1.118 -2.252 2.347) 3.439 4.333 ( -8.328 1.793 -2.844) 8.981 5.756 ( -0.788 1.295 -0.472) 1.588 5.903 ( 6.884 4.154 0.421) 8.051 6.099 ( -1.530 2.150 -0.746) 2.742 6.300 ( 2.055 0.126 1.098) 2.333 6.607 ( -2.584 -7.616 -0.793) 8.082 7.681 ( -4.520 -1.592 -0.620) 4.832 ======================= Grid point 708 (238/288) ======================= q-point: ( 0.79 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 2.263 3.920 -0.000) 4.526 3.242 ( 4.453 7.713 0.000) 8.906 3.255 ( 2.081 3.604 -0.000) 4.161 3.704 ( 2.679 4.640 -0.000) 5.358 3.934 ( 1.604 2.778 -0.000) 3.208 4.190 ( -2.854 -4.943 -0.000) 5.707 5.778 ( 1.363 2.360 -0.000) 2.725 6.012 ( 1.388 2.405 -0.000) 2.777 6.058 ( -1.465 -2.537 -0.000) 2.929 6.378 ( 2.599 4.501 -0.000) 5.198 6.519 ( -1.436 -2.487 -0.000) 2.872 7.601 ( -1.844 -3.194 -0.000) 3.689 ======================= Grid point 720 (239/288) ======================= q-point: ( 0.57 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -0.000 2.878 -6.198) 6.834 2.212 ( -0.000 10.193 -3.559) 10.796 2.954 ( -0.000 3.749 2.175) 4.334 3.191 ( -0.000 10.781 1.195) 10.847 3.948 ( 0.000 0.188 2.468) 2.475 4.492 ( -0.000 9.327 2.561) 9.672 5.493 ( -0.000 3.611 1.399) 3.872 5.832 ( -0.000 0.245 -0.236) 0.340 6.067 ( -0.000 3.028 -1.043) 3.202 6.327 ( 0.000 -2.935 2.984) 4.186 6.774 ( 0.000 -11.683 -2.039) 11.859 7.924 ( -0.000 -1.063 -5.127) 5.236 ======================= Grid point 721 (240/288) ======================= q-point: ( 0.64 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 3.471 4.107 -1.861) 5.690 2.421 ( 13.673 8.673 -2.848) 16.441 3.022 ( 3.169 2.885 1.387) 4.504 3.313 ( 2.898 7.381 3.765) 8.778 3.923 ( -1.468 -3.368 2.878) 4.667 4.554 ( -3.407 7.715 -1.904) 8.646 5.588 ( 7.299 1.896 0.048) 7.541 5.828 ( -1.729 2.311 -0.562) 2.940 6.106 ( 0.518 4.149 -0.120) 4.183 6.297 ( -0.711 -4.225 3.978) 5.847 6.661 ( -0.896 -7.698 -3.715) 8.595 7.866 ( -4.009 -0.606 -2.608) 4.821 ======================= Grid point 722 (241/288) ======================= q-point: ( 0.71 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 5.138 4.409 0.971) 6.840 2.788 ( 19.367 7.854 -3.357) 21.166 3.117 ( 4.709 1.678 0.273) 5.007 3.462 ( 6.187 3.668 6.622) 9.777 3.866 ( -1.378 -4.609 3.089) 5.717 4.509 ( -7.600 5.095 -5.445) 10.648 5.749 ( 7.795 0.512 -0.783) 7.851 5.831 ( 0.273 4.204 -0.616) 4.258 6.153 ( -0.581 4.031 0.187) 4.077 6.260 ( 0.988 -4.629 3.848) 6.100 6.568 ( -1.637 -4.058 -3.257) 5.455 7.769 ( -6.050 -0.191 -0.654) 6.089 ======================= Grid point 736 (242/288) ======================= q-point: ( 0.64 0.64 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -0.000 4.995 1.410) 5.190 2.371 ( -0.000 7.189 -0.305) 7.195 3.017 ( -0.000 1.372 0.583) 1.491 3.362 ( 0.000 4.701 4.983) 6.851 3.902 ( 0.000 -5.068 3.253) 6.022 4.638 ( -0.000 5.103 -5.445) 7.462 5.527 ( -0.000 0.049 -1.060) 1.061 5.877 ( -0.000 4.503 -0.517) 4.532 6.141 ( -0.000 3.825 0.567) 3.867 6.262 ( 0.000 -6.897 4.739) 8.368 6.609 ( -0.000 -1.902 -5.166) 5.505 7.890 ( -0.000 -0.231 -1.110) 1.134 ======================= Grid point 738 (243/288) ======================= q-point: (-0.29 -0.36 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 3.005 5.426 3.888) 7.321 2.555 ( 13.278 5.639 0.265) 14.429 3.052 ( 3.197 -0.374 -0.444) 3.249 3.439 ( 2.653 2.127 7.117) 7.888 3.853 ( -1.104 -4.747 2.869) 5.656 4.618 ( -3.392 1.735 -8.233) 9.072 5.588 ( 7.756 -0.821 -1.795) 8.003 5.908 ( -2.063 5.800 -0.489) 6.175 6.187 ( 0.980 3.060 1.243) 3.445 6.201 ( 0.110 -7.597 3.842) 8.514 6.576 ( -1.940 1.185 -4.348) 4.906 7.857 ( -3.784 0.609 0.118) 3.835 ======================= Grid point 753 (244/288) ======================= q-point: (-0.29 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 0.000 6.583 6.192) 9.038 2.484 ( 0.000 3.207 2.209) 3.894 3.010 ( 0.000 -1.875 -0.918) 2.088 3.458 ( 0.000 1.100 8.549) 8.620 3.828 ( 0.000 -3.808 2.206) 4.401 4.608 ( -0.000 -2.826 -10.629) 10.998 5.498 ( -0.000 -1.504 -2.296) 2.745 5.988 ( -0.000 5.532 -0.314) 5.540 6.140 ( 0.000 -5.894 3.239) 6.725 6.199 ( 0.000 0.975 1.287) 1.615 6.607 ( -0.000 3.401 -3.857) 5.142 7.904 ( -0.000 1.819 0.651) 1.932 ======================= Grid point 860 (245/288) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 0.000 -0.000 18.693) 18.693 0.924 ( 0.000 -0.000 18.693) 18.693 1.521 ( 0.000 -0.000 32.683) 32.683 2.780 ( -0.000 0.000 -4.850) 4.850 2.780 ( -0.000 0.000 -4.850) 4.850 4.736 ( -0.000 0.000 -18.202) 18.202 5.013 ( -0.000 0.000 -1.924) 1.924 5.013 ( -0.000 0.000 -1.924) 1.924 6.224 ( 0.000 -0.000 1.439) 1.439 6.224 ( 0.000 -0.000 1.439) 1.439 7.780 ( 0.000 -0.000 8.659) 8.659 8.262 ( -0.000 0.000 -3.851) 3.851 ======================= Grid point 861 (246/288) ======================= q-point: ( 0.36 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 4.431 2.558 16.876) 17.634 1.185 ( 9.844 5.683 20.030) 23.030 1.724 ( 9.876 5.702 15.423) 19.181 2.797 ( 1.821 1.051 -4.669) 5.121 2.845 ( 8.253 4.765 -1.188) 9.603 4.440 ( -7.171 -4.140 -8.859) 12.126 5.062 ( 3.595 2.075 -2.167) 4.682 5.590 ( 31.562 18.222 -16.232) 39.896 6.192 ( -2.663 -1.537 1.537) 3.437 6.201 ( -2.913 -1.682 0.606) 3.418 7.760 ( -4.087 -2.359 8.720) 9.915 8.218 ( -3.375 -1.949 -6.417) 7.508 ======================= Grid point 862 (247/288) ======================= q-point: ( 0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 10.939 6.316 11.967) 17.400 1.407 ( 3.771 2.177 20.642) 21.096 2.070 ( 19.203 11.087 -6.974) 23.244 2.832 ( 2.504 1.446 -4.204) 5.102 3.140 ( 15.729 9.081 5.681) 19.030 4.338 ( -0.533 -0.308 -6.997) 7.024 5.161 ( 5.607 3.237 -2.255) 6.856 6.101 ( -2.999 -1.732 -1.787) 3.897 6.121 ( -3.775 -2.179 1.570) 4.633 6.141 ( 17.606 10.165 -10.216) 22.752 7.666 ( -6.553 -3.784 10.256) 12.746 8.044 ( -9.179 -5.299 -10.097) 14.638 ======================= Grid point 863 (248/288) ======================= q-point: ( 0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 13.826 7.982 7.357) 17.578 1.540 ( 4.330 2.500 10.558) 11.682 2.517 ( 21.184 12.230 -8.346) 25.845 2.882 ( 2.909 1.680 -3.502) 4.852 3.527 ( 15.192 8.771 5.798) 18.476 4.346 ( 2.408 1.390 -3.461) 4.439 5.295 ( 6.519 3.764 -1.883) 7.759 5.980 ( -5.225 -3.017 -0.422) 6.048 6.044 ( -2.987 -1.724 1.374) 3.713 6.409 ( 6.900 3.983 -7.266) 10.783 7.496 ( -13.213 -7.629 8.128) 17.288 7.816 ( -4.929 -2.846 -7.830) 9.680 ======================= Grid point 864 (249/288) ======================= q-point: ( 0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 6.499 3.752 3.468) 8.267 1.869 ( 13.581 7.841 3.898) 16.160 2.939 ( 2.875 1.660 -2.581) 4.205 2.944 ( 17.668 10.201 -5.766) 21.201 3.828 ( 9.462 5.463 2.943) 11.316 4.411 ( 3.323 1.919 -0.024) 3.837 5.427 ( 4.885 2.820 -0.727) 5.687 5.880 ( -3.166 -1.828 -0.619) 3.708 6.012 ( 0.218 0.126 0.628) 0.677 6.446 ( -0.439 -0.254 -5.238) 5.263 7.122 ( -18.538 -10.703 0.314) 21.408 7.794 ( 1.906 1.100 1.149) 2.482 ======================= Grid point 865 (250/288) ======================= q-point: ( 0.64 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 6.820 3.938 -0.991) 7.938 2.162 ( 11.069 6.391 1.288) 12.846 2.991 ( 2.152 1.242 -1.420) 2.862 3.259 ( 11.246 6.493 -5.476) 14.093 3.967 ( 2.064 1.192 0.636) 2.467 4.486 ( 2.931 1.692 3.322) 4.742 5.499 ( 1.491 0.861 0.885) 1.936 5.839 ( -0.066 -0.038 -1.030) 1.033 6.061 ( 3.715 2.145 -0.485) 4.317 6.408 ( -1.048 -0.605 -4.523) 4.682 6.732 ( -14.564 -8.409 1.771) 16.910 7.849 ( 1.860 1.074 1.995) 2.932 ======================= Grid point 866 (251/288) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 6.285 3.629 -4.321) 8.447 2.373 ( 7.281 4.203 -0.807) 8.445 3.021 ( 0.530 0.306 -0.100) 0.620 3.421 ( 4.961 2.865 -6.880) 8.953 3.932 ( -3.985 -2.301 -2.714) 5.342 4.569 ( 2.260 1.305 8.571) 8.959 5.512 ( -0.457 -0.264 1.906) 1.978 5.876 ( 3.614 2.087 -0.412) 4.194 6.149 ( 3.611 2.085 -1.100) 4.313 6.314 ( -6.847 -3.953 -5.712) 9.754 6.555 ( -1.356 -0.783 5.935) 6.138 7.882 ( 0.806 0.465 0.410) 1.017 ======================= Grid point 875 (252/288) ======================= q-point: ( 0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.000 12.974 17.640) 21.897 1.188 ( 0.000 10.695 11.299) 15.558 1.795 ( 0.000 9.243 17.398) 19.701 2.740 ( -0.000 0.180 -4.123) 4.127 2.858 ( -0.000 9.106 -1.871) 9.296 4.416 ( -0.000 -8.079 -9.064) 12.142 5.007 ( -0.000 1.843 -0.860) 2.034 5.562 ( -0.000 34.966 -13.944) 37.644 6.184 ( 0.000 -4.163 1.033) 4.289 6.218 ( 0.000 -1.950 0.867) 2.135 7.783 ( 0.000 -5.561 8.512) 10.168 8.214 ( -0.000 -1.908 -6.739) 7.003 ======================= Grid point 876 (253/288) ======================= q-point: ( 0.43 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 0.245 14.485 10.616) 17.961 1.468 ( 6.111 9.471 17.680) 20.967 1.963 ( 4.973 14.654 -2.923) 15.748 2.785 ( 4.028 1.531 -3.904) 5.814 3.032 ( 8.807 11.810 4.100) 15.292 4.318 ( -0.981 -1.900 -6.960) 7.281 5.088 ( 5.381 3.202 -1.050) 6.349 5.959 ( 13.176 21.898 -10.716) 27.712 6.122 ( -2.031 -4.747 0.331) 5.174 6.170 ( -2.878 -2.512 0.590) 3.865 7.716 ( -2.750 -8.191 9.304) 12.697 8.109 ( -6.345 -3.736 -9.540) 12.052 ======================= Grid point 877 (254/288) ======================= q-point: ( 0.50 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 5.386 12.471 6.473) 15.048 1.638 ( -0.569 10.711 13.818) 17.492 2.299 ( 16.580 17.460 -8.726) 25.610 2.853 ( 2.645 3.336 -4.067) 5.888 3.375 ( 14.362 10.293 5.514) 18.510 4.304 ( 1.829 0.761 -3.968) 4.434 5.228 ( 6.244 5.565 -1.403) 8.481 6.012 ( -3.575 -5.340 0.097) 6.427 6.091 ( -3.536 -2.038 0.839) 4.166 6.296 ( 9.445 8.695 -6.745) 14.501 7.593 ( -5.411 -11.199 10.305) 16.152 7.887 ( -9.442 -2.701 -10.686) 14.513 ======================= Grid point 878 (255/288) ======================= q-point: ( 0.57 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 3.457 6.732 4.224) 8.667 1.865 ( 5.093 18.376 7.219) 20.389 2.743 ( 17.703 15.009 -5.191) 23.783 2.918 ( 2.132 4.071 -3.412) 5.724 3.703 ( 12.050 6.173 2.247) 13.724 4.358 ( 3.749 1.173 -1.075) 4.073 5.390 ( 5.276 7.238 -1.158) 9.031 5.902 ( -3.201 -4.221 -0.286) 5.305 6.031 ( -1.941 -0.549 0.888) 2.204 6.412 ( 2.150 0.281 -4.959) 5.413 7.307 ( -15.333 -12.909 1.521) 20.101 7.776 ( 0.042 -0.345 -0.404) 0.533 ======================= Grid point 879 (256/288) ======================= q-point: ( 0.64 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 3.810 6.902 1.797) 8.086 2.156 ( 5.086 17.756 4.080) 18.915 2.982 ( 1.588 4.193 -2.391) 5.082 3.126 ( 12.731 11.307 -4.119) 17.518 3.908 ( 6.606 1.665 0.614) 6.840 4.432 ( 4.289 -0.088 0.474) 4.316 5.523 ( 1.507 7.386 -0.138) 7.539 5.830 ( -0.875 -2.551 -0.641) 2.773 6.034 ( 1.628 1.633 0.292) 2.324 6.393 ( -0.379 -1.914 -4.019) 4.468 6.912 ( -16.057 -9.976 0.057) 18.904 7.810 ( 3.087 -1.576 2.907) 4.523 ======================= Grid point 880 (257/288) ======================= q-point: ( 0.71 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 3.449 6.387 -1.061) 7.336 2.398 ( 2.216 16.067 1.775) 16.316 3.034 ( 0.304 3.753 -1.040) 3.906 3.359 ( 5.745 7.122 -5.491) 10.672 3.947 ( -1.266 -2.452 -1.972) 3.391 4.521 ( 5.914 -0.795 4.725) 7.611 5.582 ( -2.596 6.840 1.060) 7.393 5.826 ( 2.643 -0.551 -0.351) 2.723 6.108 ( 3.777 2.780 -0.524) 4.719 6.342 ( -2.452 -2.758 -5.168) 6.350 6.622 ( -8.038 -4.926 4.171) 10.308 7.845 ( 2.507 -2.787 1.643) 4.093 ======================= Grid point 890 (258/288) ======================= q-point: ( 0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -0.000 12.873 2.620) 13.137 1.535 ( 0.000 13.240 14.330) 19.510 2.097 ( -0.000 18.524 -6.315) 19.570 2.740 ( -0.000 1.861 -1.623) 2.470 3.112 ( -0.000 14.909 5.735) 15.974 4.290 ( -0.000 -0.837 -5.172) 5.239 5.078 ( -0.000 5.352 0.868) 5.422 6.036 ( -0.000 14.210 -4.455) 14.892 6.097 ( -0.000 0.834 -2.474) 2.611 6.164 ( 0.000 -3.533 -0.115) 3.535 7.667 ( 0.000 -12.083 8.956) 15.041 8.100 ( -0.000 -3.197 -11.132) 11.582 ======================= Grid point 891 (259/288) ======================= q-point: ( 0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 0.352 12.350 1.745) 12.478 1.748 ( 5.157 10.156 7.349) 13.555 2.296 ( 4.168 23.164 -8.729) 25.102 2.808 ( 4.440 2.815 -2.195) 5.697 3.339 ( 5.871 14.836 7.214) 17.510 4.283 ( 0.558 1.233 -2.414) 2.767 5.189 ( 4.935 6.942 0.890) 8.563 6.004 ( -1.888 -5.998 0.778) 6.336 6.112 ( -1.692 -3.199 -0.353) 3.636 6.252 ( 4.726 10.957 -4.222) 12.657 7.549 ( -1.469 -15.069 9.160) 17.696 7.973 ( -6.627 -2.050 -12.055) 13.908 ======================= Grid point 892 (260/288) ======================= q-point: ( 0.57 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 1.913 8.197 0.332) 8.424 1.997 ( 6.068 17.274 4.778) 18.922 2.640 ( 11.824 20.658 -4.268) 24.182 2.903 ( 3.522 3.986 -2.911) 6.064 3.606 ( 7.833 10.089 3.190) 13.165 4.318 ( 2.032 1.680 0.104) 2.639 5.370 ( 6.353 8.895 0.278) 10.934 5.907 ( -2.784 -5.192 0.184) 5.894 6.056 ( -1.695 -1.618 -0.099) 2.345 6.366 ( 2.322 1.719 -2.687) 3.945 7.359 ( -6.153 -16.677 5.407) 18.580 7.811 ( -5.603 0.067 -6.779) 8.795 ======================= Grid point 893 (261/288) ======================= q-point: ( 0.64 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 3.112 7.818 0.734) 8.447 2.300 ( 4.896 20.671 4.486) 21.712 2.989 ( 2.413 4.898 -2.499) 6.004 3.031 ( 12.519 16.154 -2.305) 20.566 3.808 ( 6.952 4.076 0.084) 8.059 4.368 ( 2.435 -0.186 0.434) 2.481 5.563 ( 4.522 10.229 0.020) 11.184 5.820 ( -1.826 -3.729 -0.239) 4.159 6.034 ( 0.031 0.578 0.142) 0.596 6.365 ( -0.234 -2.134 -2.402) 3.221 7.051 ( -12.248 -13.133 0.295) 17.960 7.757 ( 0.613 -1.810 0.558) 1.991 ======================= Grid point 894 (262/288) ======================= q-point: ( 0.71 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 2.596 7.514 0.490) 7.965 2.580 ( 1.479 21.217 4.192) 21.678 3.064 ( 1.241 5.303 -1.661) 5.694 3.330 ( 6.721 11.810 -3.896) 14.136 3.913 ( 2.571 -0.645 -1.137) 2.884 4.409 ( 4.980 -2.924 1.579) 5.987 5.704 ( -0.378 10.000 0.406) 10.015 5.782 ( 0.989 -1.568 -0.188) 1.864 6.073 ( 2.851 2.020 0.064) 3.495 6.327 ( -0.635 -2.154 -2.836) 3.618 6.739 ( -10.979 -7.970 1.115) 13.613 7.765 ( 2.687 -4.247 1.868) 5.362 ======================= Grid point 906 (263/288) ======================= q-point: ( 0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -0.000 13.670 -3.614) 14.140 1.761 ( -0.000 5.438 -0.443) 5.456 2.479 ( -0.000 24.293 -8.155) 25.625 2.793 ( -0.000 3.408 1.356) 3.668 3.485 ( -0.000 17.002 8.124) 18.843 4.292 ( -0.000 2.340 -0.009) 2.340 5.222 ( -0.000 7.811 2.349) 8.157 5.964 ( 0.000 -5.877 0.863) 5.940 6.089 ( 0.000 -3.300 -1.209) 3.515 6.302 ( -0.000 7.434 -1.158) 7.524 7.423 ( 0.000 -17.811 7.511) 19.330 7.975 ( -0.000 -1.040 -12.327) 12.370 ======================= Grid point 907 (264/288) ======================= q-point: ( 0.57 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -0.223 6.714 -4.405) 8.033 1.982 ( 11.350 12.610 -3.399) 17.303 2.720 ( 3.660 22.184 -3.068) 22.692 2.869 ( 3.543 3.904 0.646) 5.311 3.675 ( 0.715 14.094 4.791) 14.904 4.326 ( 0.280 2.988 2.175) 3.707 5.357 ( 5.164 8.448 2.019) 10.105 5.896 ( -1.709 -4.941 0.438) 5.247 6.053 ( -0.436 -1.901 -1.228) 2.305 6.356 ( 0.539 1.661 0.325) 1.776 7.254 ( -1.099 -18.839 5.302) 19.602 7.886 ( -4.970 0.347 -9.684) 10.890 ======================= Grid point 908 (265/288) ======================= q-point: ( 0.64 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 3.532 6.810 -2.112) 7.957 2.333 ( 13.433 15.392 -1.911) 20.518 2.974 ( 3.914 4.337 0.418) 5.857 3.019 ( 7.952 18.045 -0.178) 19.721 3.803 ( 0.575 8.057 0.975) 8.136 4.361 ( -0.337 1.840 1.862) 2.639 5.559 ( 7.224 9.084 0.850) 11.638 5.819 ( -2.246 -3.478 -0.006) 4.140 6.037 ( 0.037 0.367 -0.623) 0.724 6.352 ( -0.853 -1.695 0.352) 1.930 7.043 ( -4.148 -16.960 1.794) 17.552 7.780 ( -4.484 0.218 -4.018) 6.025 ======================= Grid point 909 (266/288) ======================= q-point: ( 0.71 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 3.988 6.907 -0.000) 7.975 2.698 ( 9.977 17.281 -0.000) 19.955 3.077 ( 2.829 4.899 -0.000) 5.657 3.328 ( 8.178 14.164 -0.000) 16.356 3.874 ( 1.556 2.695 -0.000) 3.112 4.348 ( -1.171 -2.028 -0.000) 2.341 5.756 ( 1.371 2.375 -0.000) 2.742 5.771 ( 2.959 5.124 -0.000) 5.917 6.057 ( 1.030 1.785 -0.000) 2.061 6.315 ( -0.928 -1.607 -0.000) 1.855 6.804 ( -6.810 -11.796 -0.000) 13.621 7.716 ( -1.306 -2.262 -0.000) 2.611 ======================= Grid point 922 (267/288) ======================= q-point: ( 0.57 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -0.000 3.738 -7.779) 8.630 1.963 ( -0.000 13.183 -5.093) 14.133 2.883 ( -0.000 4.094 2.732) 4.922 2.892 ( -0.000 19.566 -1.067) 19.595 3.826 ( -0.000 12.101 3.077) 12.486 4.373 ( 0.000 4.548 3.703) 5.864 5.393 ( -0.000 7.085 2.448) 7.496 5.869 ( 0.000 -3.757 0.422) 3.781 6.036 ( -0.000 -0.594 -1.634) 1.739 6.368 ( 0.000 -0.117 2.249) 2.252 7.086 ( 0.000 -18.885 3.005) 19.122 7.904 ( -0.000 0.650 -8.749) 8.773 ======================= Grid point 923 (268/288) ======================= q-point: ( 0.64 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 2.664 5.291 -4.341) 7.344 2.200 ( 13.266 12.116 -4.728) 18.578 2.959 ( 2.927 3.935 2.332) 5.430 3.096 ( 3.368 15.713 1.739) 16.164 3.906 ( -1.943 6.453 1.022) 6.816 4.423 ( -1.592 5.037 2.296) 5.759 5.516 ( 6.064 5.754 1.206) 8.446 5.826 ( -1.678 -2.061 0.188) 2.665 6.040 ( 0.369 1.749 -0.938) 2.018 6.359 ( -1.025 -1.557 2.802) 3.366 6.909 ( -0.518 -17.115 0.509) 17.131 7.851 ( -3.951 0.858 -5.423) 6.764 ======================= Grid point 939 (269/288) ======================= q-point: (-0.36 -0.36 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -0.000 5.244 -2.880) 5.983 2.181 ( -0.000 11.393 -2.627) 11.692 2.974 ( -0.000 3.188 1.927) 3.725 3.215 ( -0.000 12.092 3.556) 12.604 3.965 ( 0.000 1.140 1.049) 1.549 4.503 ( -0.000 6.344 -0.332) 6.353 5.502 ( -0.000 2.682 0.302) 2.699 5.832 ( 0.000 -0.049 0.343) 0.347 6.060 ( -0.000 3.643 -0.326) 3.658 6.364 ( 0.000 -2.001 4.331) 4.771 6.752 ( 0.000 -14.224 -2.216) 14.395 7.879 ( -0.000 0.825 -3.950) 4.036 ======================= Grid point 1078 (270/288) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 0.000 -0.000 13.898) 13.898 1.084 ( 0.000 -0.000 13.898) 13.898 1.808 ( 0.000 -0.000 25.486) 25.486 2.734 ( -0.000 0.000 -4.422) 4.422 2.734 ( -0.000 0.000 -4.422) 4.422 4.565 ( -0.000 0.000 -16.163) 16.163 4.996 ( -0.000 0.000 -1.499) 1.499 4.996 ( -0.000 0.000 -1.499) 1.499 6.237 ( 0.000 -0.000 1.120) 1.120 6.237 ( 0.000 -0.000 1.120) 1.120 7.863 ( 0.000 -0.000 8.029) 8.029 8.221 ( -0.000 0.000 -4.401) 4.401 ======================= Grid point 1079 (271/288) ======================= q-point: ( 0.43 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 3.648 2.106 13.475) 14.118 1.350 ( 13.972 8.066 13.062) 20.758 1.848 ( -1.688 -0.974 10.008) 10.196 2.752 ( 1.895 1.094 -4.391) 4.906 2.845 ( 11.194 6.463 0.859) 12.954 4.352 ( -5.961 -3.442 -8.504) 10.941 5.041 ( 3.418 1.973 -2.135) 4.487 5.468 ( 29.671 17.131 -9.031) 35.431 6.205 ( -3.291 -1.900 0.271) 3.810 6.206 ( -2.568 -1.483 1.352) 3.260 7.843 ( -3.688 -2.130 8.062) 9.118 8.157 ( -4.819 -2.782 -6.138) 8.285 ======================= Grid point 1080 (272/288) ======================= q-point: ( 0.50 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 9.325 5.384 10.737) 15.205 1.610 ( 0.192 0.111 20.061) 20.062 1.981 ( 18.010 10.398 -10.719) 23.396 2.791 ( 2.709 1.564 -4.086) 5.146 3.189 ( 16.605 9.587 3.700) 19.528 4.276 ( 0.499 0.288 -5.334) 5.365 5.137 ( 5.614 3.241 -2.574) 6.975 6.040 ( 19.770 11.414 -6.837) 23.830 6.105 ( -3.997 -2.308 -0.874) 4.697 6.136 ( -3.742 -2.160 1.564) 4.595 7.769 ( -5.258 -3.036 10.622) 12.235 7.948 ( -10.741 -6.201 -9.622) 15.698 ======================= Grid point 1081 (273/288) ======================= q-point: ( 0.57 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 12.274 7.087 7.611) 16.088 1.646 ( 1.018 0.588 10.468) 10.534 2.449 ( 22.292 12.870 -5.010) 26.224 2.846 ( 3.228 1.864 -3.591) 5.176 3.563 ( 14.619 8.440 1.149) 16.919 4.315 ( 3.598 2.077 -2.662) 4.934 5.273 ( 6.842 3.951 -2.558) 8.305 5.976 ( -5.230 -3.020 -0.446) 6.056 6.059 ( -3.127 -1.805 1.651) 3.970 6.346 ( 7.481 4.319 -5.313) 10.141 7.539 ( -17.460 -10.081 -0.651) 20.172 7.786 ( -0.385 -0.222 2.890) 2.924 ======================= Grid point 1082 (274/288) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 4.145 2.393 6.496) 8.069 1.913 ( 12.253 7.074 4.963) 14.994 2.902 ( 17.739 10.242 -2.804) 20.674 2.911 ( 3.326 1.920 -2.916) 4.822 3.842 ( 9.422 5.440 -0.105) 10.880 4.401 ( 4.237 2.446 -1.953) 5.268 5.414 ( 5.644 3.259 -1.808) 6.763 5.874 ( -3.301 -1.906 -0.519) 3.847 6.022 ( -0.268 -0.155 1.303) 1.339 6.399 ( -0.023 -0.013 -4.165) 4.165 7.112 ( -18.127 -10.465 -2.052) 21.031 7.830 ( 1.833 1.058 5.997) 6.359 ======================= Grid point 1094 (275/288) ======================= q-point: ( 0.43 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -0.000 8.165 5.398) 9.788 1.296 ( 0.000 14.164 14.189) 20.048 1.921 ( 0.000 -0.129 8.058) 8.059 2.708 ( -0.000 0.739 -2.293) 2.409 2.851 ( -0.000 11.953 0.296) 11.957 4.330 ( -0.000 -6.244 -7.731) 9.937 5.003 ( -0.000 2.367 0.085) 2.368 5.457 ( -0.000 33.209 -7.746) 34.101 6.194 ( 0.000 -4.370 0.935) 4.469 6.224 ( 0.000 -2.205 0.283) 2.223 7.862 ( 0.000 -5.109 7.482) 9.060 8.150 ( -0.000 -4.004 -6.323) 7.484 ======================= Grid point 1095 (276/288) ======================= q-point: ( 0.50 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 1.314 11.189 6.600) 13.057 1.631 ( 10.278 9.330 15.382) 20.719 1.904 ( -0.983 8.929 -8.552) 12.403 2.752 ( 3.057 2.004 -2.586) 4.477 3.073 ( 9.593 13.652 3.682) 17.087 4.260 ( -0.501 -0.678 -4.617) 4.694 5.080 ( 4.295 4.073 -0.570) 5.947 5.879 ( 13.820 23.710 -5.481) 27.986 6.125 ( -2.509 -5.312 0.326) 5.883 6.175 ( -2.494 -2.827 0.276) 3.780 7.807 ( -1.867 -7.284 8.955) 11.694 8.017 ( -6.958 -6.015 -8.992) 12.863 ======================= Grid point 1096 (277/288) ======================= q-point: ( 0.57 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 5.785 9.425 5.226) 12.231 1.754 ( -1.561 7.174 8.876) 11.519 2.229 ( 18.233 18.695 -4.593) 26.515 2.818 ( 2.455 3.530 -2.914) 5.194 3.409 ( 13.055 10.691 1.156) 16.913 4.274 ( 2.320 1.958 -2.045) 3.660 5.214 ( 5.533 6.457 -1.498) 8.634 6.013 ( -3.945 -5.180 -0.012) 6.512 6.100 ( -3.045 -2.488 0.823) 4.017 6.244 ( 9.395 9.755 -3.571) 14.007 7.677 ( -9.982 -13.153 4.138) 17.022 7.806 ( -3.808 -1.561 -3.244) 5.240 ======================= Grid point 1097 (278/288) ======================= q-point: ( 0.64 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 4.198 4.353 4.781) 7.709 1.933 ( 4.045 17.230 6.371) 18.810 2.710 ( 17.980 15.257 -1.281) 23.616 2.887 ( 2.232 4.281 -2.698) 5.530 3.706 ( 11.642 6.327 -1.471) 13.332 4.344 ( 3.680 2.010 -1.637) 4.501 5.375 ( 5.125 8.074 -1.768) 9.725 5.900 ( -3.393 -4.141 -0.290) 5.361 6.041 ( -1.759 -1.015 1.168) 2.343 6.372 ( 1.885 0.925 -2.947) 3.618 7.297 ( -16.744 -11.885 -3.223) 20.785 7.806 ( 2.521 -1.983 6.205) 6.985 ======================= Grid point 1110 (279/288) ======================= q-point: ( 0.50 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -0.000 11.021 -2.734) 11.355 1.676 ( 0.000 7.813 14.012) 16.043 1.999 ( -0.000 16.095 -12.834) 20.586 2.736 ( -0.000 2.594 0.826) 2.722 3.170 ( -0.000 17.190 5.327) 17.996 4.249 ( -0.000 0.756 -2.808) 2.908 5.091 ( -0.000 5.859 1.800) 6.130 5.998 ( -0.000 22.861 -2.412) 22.988 6.092 ( 0.000 -5.828 0.357) 5.839 6.160 ( 0.000 -3.861 -0.743) 3.932 7.756 ( 0.000 -11.706 9.226) 14.904 7.990 ( -0.000 -5.216 -11.146) 12.306 ======================= Grid point 1111 (280/288) ======================= q-point: ( 0.57 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 2.411 10.168 -1.971) 10.634 1.794 ( 5.644 4.174 0.996) 7.090 2.227 ( 6.001 25.236 -4.269) 26.289 2.800 ( 2.875 3.419 0.554) 4.502 3.395 ( 4.347 15.641 3.873) 16.690 4.267 ( 0.729 2.798 -0.588) 2.951 5.200 ( 3.974 7.576 1.310) 8.655 6.010 ( -2.206 -6.112 0.511) 6.518 6.107 ( -1.246 -3.572 -0.679) 3.843 6.229 ( 4.448 12.477 -0.395) 13.252 7.638 ( -1.694 -16.623 8.593) 18.789 7.860 ( -5.368 -1.728 -10.623) 12.027 ======================= Grid point 1112 (281/288) ======================= q-point: ( 0.64 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 3.659 6.337 -0.000) 7.317 2.022 ( 8.635 14.957 -0.000) 17.271 2.618 ( 12.282 21.273 -0.000) 24.564 2.888 ( 2.595 4.496 -0.000) 5.191 3.622 ( 6.002 10.396 -0.000) 12.004 4.318 ( 1.629 2.821 -0.000) 3.257 5.371 ( 5.519 9.559 -0.000) 11.037 5.908 ( -2.993 -5.183 -0.000) 5.985 6.055 ( -1.167 -2.022 -0.000) 2.335 6.353 ( 1.440 2.495 -0.000) 2.881 7.388 ( -9.471 -16.405 -0.000) 18.942 7.775 ( -0.665 -1.152 0.000) 1.330 ======================= Grid point 1126 (282/288) ======================= q-point: ( 0.57 0.57 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -0.000 13.343 -6.325) 14.766 1.730 ( -0.000 1.001 -6.169) 6.250 2.429 ( -0.000 26.034 -1.498) 26.077 2.814 ( 0.000 3.784 2.892) 4.763 3.547 ( -0.000 16.701 4.217) 17.225 4.297 ( -0.000 4.038 1.054) 4.173 5.247 ( -0.000 7.991 2.707) 8.437 5.971 ( 0.000 -6.017 0.614) 6.048 6.075 ( 0.000 -3.546 -1.573) 3.879 6.308 ( -0.000 8.449 2.319) 8.762 7.495 ( 0.000 -19.680 6.849) 20.838 7.860 ( -0.000 -0.179 -10.661) 10.663 ======================= Grid point 1300 (283/288) ======================= q-point: ( 0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 0.000 -0.000 7.529) 7.529 1.190 ( 0.000 -0.000 7.529) 7.529 2.007 ( 0.000 -0.000 14.453) 14.453 2.698 ( -0.000 0.000 -2.716) 2.716 2.698 ( -0.000 0.000 -2.716) 2.716 4.434 ( -0.000 0.000 -9.888) 9.888 4.985 ( -0.000 0.000 -0.815) 0.815 4.985 ( -0.000 0.000 -0.815) 0.815 6.246 ( 0.000 -0.000 0.610) 0.610 6.246 ( 0.000 -0.000 0.610) 0.610 7.932 ( 0.000 -0.000 5.699) 5.699 8.180 ( -0.000 0.000 -3.764) 3.764 ======================= Grid point 1301 (284/288) ======================= q-point: ( 0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 3.976 2.296 8.196) 9.394 1.429 ( 16.498 9.525 2.776) 19.251 1.923 ( -8.563 -4.944 5.634) 11.380 2.715 ( 1.706 0.985 -2.914) 3.517 2.856 ( 12.967 7.487 0.955) 15.003 4.287 ( -4.749 -2.742 -4.245) 6.935 5.022 ( 3.051 1.761 -1.717) 3.919 5.410 ( 28.270 16.322 -2.971) 32.778 6.206 ( -3.586 -2.070 -0.182) 4.145 6.217 ( -2.387 -1.378 0.926) 2.908 7.910 ( -3.005 -1.735 4.889) 5.995 8.104 ( -5.922 -3.419 -3.893) 7.869 ======================= Grid point 1302 (285/288) ======================= q-point: ( 0.57 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 8.865 5.118 7.512) 12.697 1.761 ( -5.420 -3.129 4.455) 7.682 1.897 ( 22.951 13.251 0.027) 26.501 2.755 ( 2.646 1.528 -2.942) 4.242 3.203 ( 16.153 9.326 -1.058) 18.682 4.242 ( 1.045 0.603 -1.410) 1.856 5.112 ( 5.421 3.130 -2.405) 6.706 5.996 ( 21.032 12.143 -2.141) 24.379 6.098 ( -5.334 -3.080 -0.751) 6.205 6.150 ( -3.585 -2.070 1.259) 4.327 7.840 ( -5.920 -3.418 -5.366) 8.690 7.889 ( -9.713 -5.608 6.919) 13.177 ======================= Grid point 1316 (286/288) ======================= q-point: ( 0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -0.000 6.017 -1.527) 6.208 1.404 ( -0.000 17.272 7.367) 18.778 1.956 ( 0.000 -8.098 -0.496) 8.113 2.698 ( -0.000 1.427 0.394) 1.480 2.857 ( -0.000 14.473 0.576) 14.484 4.278 ( 0.000 -5.155 -2.472) 5.717 5.008 ( -0.000 2.962 0.994) 3.124 5.407 ( -0.000 32.273 -2.366) 32.360 6.202 ( 0.000 -4.348 0.622) 4.392 6.224 ( 0.000 -2.488 -0.348) 2.512 7.920 ( 0.000 -3.889 3.280) 5.087 8.099 ( 0.000 -6.180 -3.150) 6.937 ======================= Grid point 1317 (287/288) ======================= q-point: ( 0.57 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 4.788 8.293 -0.000) 9.576 1.739 ( 12.264 21.242 -0.000) 24.528 1.829 ( -3.029 -5.246 0.000) 6.058 2.739 ( 1.614 2.795 -0.000) 3.228 3.093 ( 8.602 14.900 0.000) 17.205 4.236 ( -0.146 -0.253 -0.000) 0.292 5.077 ( 2.873 4.976 -0.000) 5.746 5.852 ( 13.967 24.191 -0.000) 27.933 6.127 ( -3.018 -5.227 -0.000) 6.036 6.176 ( -1.862 -3.225 -0.000) 3.723 7.869 ( -2.065 -3.577 -0.000) 4.130 7.955 ( -6.089 -10.546 0.000) 12.177 ======================= Grid point 1527 (288/288) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 0.000 -0.000 0.000) 0.000 1.228 ( 0.000 -0.000 0.000) 0.000 2.079 ( 0.000 -0.000 0.000) 0.000 2.684 ( 0.000 -0.000 0.000) 0.000 2.684 ( 0.000 -0.000 0.000) 0.000 4.384 ( 0.000 -0.000 0.000) 0.000 4.981 ( 0.000 -0.000 0.000) 0.000 4.981 ( 0.000 -0.000 0.000) 0.000 6.249 ( 0.000 -0.000 0.000) 0.000 6.249 ( 0.000 -0.000 0.000) 0.000 7.962 ( 0.000 -0.000 0.000) 0.000 8.158 ( 0.000 -0.000 0.000) 0.000 =================== 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 3/32928 10.0 1269.125 1269.125 3056.090 -0.000 -0.000 -0.000 3/32928 20.0 362.301 362.301 390.940 0.000 -0.000 -0.000 3/32928 30.0 140.844 140.844 97.446 0.000 -0.000 -0.000 3/32928 40.0 77.129 77.129 42.910 0.000 -0.000 -0.000 3/32928 50.0 49.846 49.846 25.160 0.000 -0.000 -0.000 3/32928 60.0 35.734 35.734 17.244 0.000 -0.000 -0.000 3/32928 70.0 27.508 27.508 12.987 0.000 -0.000 -0.000 3/32928 80.0 22.267 22.267 10.397 0.000 -0.000 -0.000 3/32928 90.0 18.690 18.690 8.677 0.000 -0.000 -0.000 3/32928 100.0 16.113 16.113 7.459 0.000 -0.000 -0.000 3/32928 110.0 14.175 14.175 6.552 0.000 -0.000 -0.000 3/32928 120.0 12.667 12.667 5.851 0.000 -0.000 -0.000 3/32928 130.0 11.460 11.460 5.293 0.000 -0.000 -0.000 3/32928 140.0 10.472 10.472 4.836 0.000 -0.000 -0.000 3/32928 150.0 9.647 9.647 4.456 0.000 -0.000 -0.000 3/32928 160.0 8.948 8.948 4.134 0.000 -0.000 -0.000 3/32928 170.0 8.348 8.348 3.858 0.000 -0.000 -0.000 3/32928 180.0 7.826 7.826 3.618 0.000 -0.000 -0.000 3/32928 190.0 7.368 7.368 3.407 0.000 -0.000 -0.000 3/32928 200.0 6.962 6.962 3.220 0.000 -0.000 -0.000 3/32928 210.0 6.601 6.601 3.054 0.000 -0.000 -0.000 3/32928 220.0 6.276 6.276 2.904 0.000 -0.000 -0.000 3/32928 230.0 5.982 5.982 2.769 0.000 -0.000 -0.000 3/32928 240.0 5.716 5.716 2.646 0.000 -0.000 -0.000 3/32928 250.0 5.473 5.473 2.534 0.000 -0.000 -0.000 3/32928 260.0 5.250 5.250 2.431 0.000 -0.000 -0.000 3/32928 270.0 5.046 5.046 2.337 0.000 -0.000 -0.000 3/32928 280.0 4.857 4.857 2.250 0.000 -0.000 -0.000 3/32928 290.0 4.682 4.682 2.169 0.000 -0.000 -0.000 3/32928 300.0 4.519 4.519 2.094 0.000 -0.000 -0.000 3/32928 310.0 4.367 4.367 2.024 0.000 -0.000 -0.000 3/32928 320.0 4.226 4.226 1.958 0.000 -0.000 -0.000 3/32928 330.0 4.094 4.094 1.897 0.000 -0.000 -0.000 3/32928 340.0 3.969 3.969 1.840 0.000 -0.000 -0.000 3/32928 350.0 3.852 3.852 1.786 0.000 -0.000 -0.000 3/32928 360.0 3.742 3.742 1.735 0.000 -0.000 -0.000 3/32928 370.0 3.639 3.639 1.687 0.000 -0.000 -0.000 3/32928 380.0 3.541 3.541 1.642 0.000 -0.000 -0.000 3/32928 390.0 3.448 3.448 1.599 0.000 -0.000 -0.000 3/32928 400.0 3.359 3.359 1.558 0.000 -0.000 -0.000 3/32928 410.0 3.276 3.276 1.519 0.000 -0.000 -0.000 3/32928 420.0 3.196 3.196 1.482 0.000 -0.000 -0.000 3/32928 430.0 3.121 3.121 1.447 0.000 -0.000 -0.000 3/32928 440.0 3.048 3.048 1.414 0.000 -0.000 -0.000 3/32928 450.0 2.980 2.980 1.382 0.000 -0.000 -0.000 3/32928 460.0 2.914 2.914 1.351 0.000 -0.000 -0.000 3/32928 470.0 2.851 2.851 1.322 0.000 -0.000 -0.000 3/32928 480.0 2.791 2.791 1.294 0.000 -0.000 -0.000 3/32928 490.0 2.733 2.733 1.268 0.000 -0.000 -0.000 3/32928 500.0 2.677 2.677 1.242 0.000 -0.000 -0.000 3/32928 510.0 2.624 2.624 1.217 0.000 -0.000 -0.000 3/32928 520.0 2.573 2.573 1.194 0.000 -0.000 -0.000 3/32928 530.0 2.524 2.524 1.171 0.000 -0.000 -0.000 3/32928 540.0 2.477 2.477 1.149 0.000 -0.000 -0.000 3/32928 550.0 2.431 2.431 1.128 0.000 -0.000 -0.000 3/32928 560.0 2.387 2.387 1.108 0.000 -0.000 -0.000 3/32928 570.0 2.345 2.345 1.088 0.000 -0.000 -0.000 3/32928 580.0 2.304 2.304 1.069 0.000 -0.000 -0.000 3/32928 590.0 2.265 2.265 1.051 0.000 -0.000 -0.000 3/32928 600.0 2.227 2.227 1.033 0.000 -0.000 -0.000 3/32928 610.0 2.190 2.190 1.016 0.000 -0.000 -0.000 3/32928 620.0 2.154 2.154 1.000 0.000 -0.000 -0.000 3/32928 630.0 2.120 2.120 0.984 0.000 -0.000 -0.000 3/32928 640.0 2.087 2.087 0.968 0.000 -0.000 -0.000 3/32928 650.0 2.054 2.054 0.953 0.000 -0.000 -0.000 3/32928 660.0 2.023 2.023 0.939 0.000 -0.000 -0.000 3/32928 670.0 1.993 1.993 0.925 0.000 -0.000 -0.000 3/32928 680.0 1.963 1.963 0.911 0.000 -0.000 -0.000 3/32928 690.0 1.935 1.935 0.898 0.000 -0.000 -0.000 3/32928 700.0 1.907 1.907 0.885 0.000 -0.000 -0.000 3/32928 710.0 1.880 1.880 0.872 0.000 -0.000 -0.000 3/32928 720.0 1.853 1.853 0.860 0.000 -0.000 -0.000 3/32928 730.0 1.828 1.828 0.848 0.000 -0.000 -0.000 3/32928 740.0 1.803 1.803 0.837 0.000 -0.000 -0.000 3/32928 750.0 1.779 1.779 0.826 0.000 -0.000 -0.000 3/32928 760.0 1.755 1.755 0.815 0.000 -0.000 -0.000 3/32928 770.0 1.733 1.733 0.804 0.000 -0.000 -0.000 3/32928 780.0 1.710 1.710 0.794 0.000 -0.000 -0.000 3/32928 790.0 1.689 1.689 0.784 0.000 -0.000 -0.000 3/32928 800.0 1.667 1.667 0.774 0.000 -0.000 -0.000 3/32928 810.0 1.647 1.647 0.764 0.000 -0.000 -0.000 3/32928 820.0 1.627 1.627 0.755 0.000 -0.000 -0.000 3/32928 830.0 1.607 1.607 0.746 0.000 -0.000 -0.000 3/32928 840.0 1.588 1.588 0.737 0.000 -0.000 -0.000 3/32928 850.0 1.569 1.569 0.728 0.000 -0.000 -0.000 3/32928 860.0 1.551 1.551 0.720 0.000 -0.000 -0.000 3/32928 870.0 1.533 1.533 0.711 0.000 -0.000 -0.000 3/32928 880.0 1.515 1.515 0.703 0.000 -0.000 -0.000 3/32928 890.0 1.498 1.498 0.695 0.000 -0.000 -0.000 3/32928 900.0 1.481 1.481 0.688 0.000 -0.000 -0.000 3/32928 910.0 1.465 1.465 0.680 0.000 -0.000 -0.000 3/32928 920.0 1.449 1.449 0.673 0.000 -0.000 -0.000 3/32928 930.0 1.434 1.434 0.665 0.000 -0.000 -0.000 3/32928 940.0 1.418 1.418 0.658 0.000 -0.000 -0.000 3/32928 950.0 1.403 1.403 0.651 0.000 -0.000 -0.000 3/32928 960.0 1.389 1.389 0.645 0.000 -0.000 -0.000 3/32928 970.0 1.374 1.374 0.638 0.000 -0.000 -0.000 3/32928 980.0 1.360 1.360 0.631 0.000 -0.000 -0.000 3/32928 990.0 1.346 1.346 0.625 0.000 -0.000 -0.000 3/32928 1000.0 1.333 1.333 0.619 0.000 -0.000 -0.000 3/32928 Thermal conductivity related properties were written into "kappa-m141414.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:42:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|