----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:12:33]------------------------- 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 2.016623049498896 1.164297860482189 7.929540169999992 b -2.016623049498891 1.164297860482189 7.929540169999992 c 0.000000000000002 -2.328595720964381 7.929540169999992 Atomic positions (fractional): *1 S 0.77220502311937 0.77220502311937 0.77220502311937 32.065 2 S 0.22779497688064 0.22779497688064 0.22779497688063 32.065 *3 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 *4 Dy 0.50000000000000 0.50000000000000 0.50000000000000 162.500 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.033246098997787 0.000000000000000 0.000000000000000 b -2.016623049498893 3.492893581446570 0.000000000000000 c 0.000000000000000 0.000000000000000 23.788620510000001 Atomic positions (fractional): *1 S 0.66666666666667 0.33333333333333 0.10553835645270 32.065 > 1 2 S 0.00000000000000 0.00000000000000 0.22779497688063 32.065 > 2 3 S 0.33333333333333 0.66666666666667 0.43887168978603 32.065 > 1 4 S 0.66666666666667 0.33333333333333 0.56112831021397 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.77220502311937 32.065 > 1 6 S 0.33333333333333 0.66666666666667 0.89446164354730 32.065 > 2 *7 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 3 8 Cs 0.66666666666667 0.33333333333333 0.33333333333333 132.905 > 3 9 Cs 0.33333333333333 0.66666666666667 0.66666666666667 132.905 > 3 *10 Dy 0.33333333333333 0.66666666666667 0.16666666666667 162.500 > 4 11 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 4 12 Dy 0.66666666666667 0.33333333333333 0.83333333333333 162.500 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.099738296993362 0.000000000000000 0.000000000000000 b -6.049869148496679 10.478680744339711 0.000000000000000 c 0.000000000000000 0.000000000000000 23.788620510000001 Atomic positions (fractional): *1 S 0.22222222222222 0.11111111111111 0.10553835645270 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10553835645270 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10553835645270 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10553835645270 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10553835645270 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10553835645270 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10553835645270 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10553835645270 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10553835645270 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.22779497688063 32.065 > 2 11 S 0.33333333333333 0.00000000000000 0.22779497688063 32.065 > 2 12 S 0.66666666666667 0.00000000000000 0.22779497688063 32.065 > 2 13 S 0.00000000000000 0.33333333333333 0.22779497688063 32.065 > 2 14 S 0.33333333333333 0.33333333333333 0.22779497688063 32.065 > 2 15 S 0.66666666666667 0.33333333333333 0.22779497688063 32.065 > 2 16 S 0.00000000000000 0.66666666666667 0.22779497688063 32.065 > 2 17 S 0.33333333333333 0.66666666666667 0.22779497688063 32.065 > 2 18 S 0.66666666666667 0.66666666666667 0.22779497688063 32.065 > 2 19 S 0.11111111111111 0.22222222222222 0.43887168978603 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43887168978603 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43887168978603 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43887168978603 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43887168978603 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43887168978603 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43887168978603 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43887168978603 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43887168978603 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56112831021397 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.56112831021397 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.56112831021397 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.56112831021397 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.56112831021397 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.56112831021397 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.56112831021397 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.56112831021397 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.56112831021397 32.065 > 2 37 S 0.00000000000000 0.00000000000000 0.77220502311937 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.77220502311937 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.77220502311937 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.77220502311937 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.77220502311937 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.77220502311937 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.77220502311937 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.77220502311937 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.77220502311937 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89446164354730 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.89446164354730 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.89446164354730 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.89446164354730 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.89446164354730 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.89446164354730 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.89446164354730 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.89446164354730 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.89446164354730 32.065 > 2 *55 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 3 56 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 3 57 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 3 58 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 3 59 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 3 60 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 3 61 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 3 62 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 3 63 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 3 64 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 3 65 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 3 66 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 3 67 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 3 68 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 3 69 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 3 70 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 3 71 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 3 72 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 3 73 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 3 74 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 3 75 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 3 76 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 3 77 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 3 78 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 3 79 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 3 80 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 3 81 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 3 *82 Dy 0.11111111111111 0.22222222222222 0.16666666666667 162.500 > 4 83 Dy 0.44444444444444 0.22222222222222 0.16666666666667 162.500 > 4 84 Dy 0.77777777777778 0.22222222222222 0.16666666666667 162.500 > 4 85 Dy 0.11111111111111 0.55555555555556 0.16666666666667 162.500 > 4 86 Dy 0.44444444444444 0.55555555555556 0.16666666666667 162.500 > 4 87 Dy 0.77777777777778 0.55555555555556 0.16666666666667 162.500 > 4 88 Dy 0.11111111111111 0.88888888888889 0.16666666666667 162.500 > 4 89 Dy 0.44444444444444 0.88888888888889 0.16666666666667 162.500 > 4 90 Dy 0.77777777777778 0.88888888888889 0.16666666666667 162.500 > 4 91 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 4 92 Dy 0.33333333333333 0.00000000000000 0.50000000000000 162.500 > 4 93 Dy 0.66666666666667 0.00000000000000 0.50000000000000 162.500 > 4 94 Dy 0.00000000000000 0.33333333333333 0.50000000000000 162.500 > 4 95 Dy 0.33333333333333 0.33333333333333 0.50000000000000 162.500 > 4 96 Dy 0.66666666666667 0.33333333333333 0.50000000000000 162.500 > 4 97 Dy 0.00000000000000 0.66666666666667 0.50000000000000 162.500 > 4 98 Dy 0.33333333333333 0.66666666666667 0.50000000000000 162.500 > 4 99 Dy 0.66666666666667 0.66666666666667 0.50000000000000 162.500 > 4 100 Dy 0.22222222222222 0.11111111111111 0.83333333333333 162.500 > 4 101 Dy 0.55555555555556 0.11111111111111 0.83333333333333 162.500 > 4 102 Dy 0.88888888888889 0.11111111111111 0.83333333333333 162.500 > 4 103 Dy 0.22222222222222 0.44444444444444 0.83333333333333 162.500 > 4 104 Dy 0.55555555555556 0.44444444444444 0.83333333333333 162.500 > 4 105 Dy 0.88888888888889 0.44444444444444 0.83333333333333 162.500 > 4 106 Dy 0.22222222222222 0.77777777777778 0.83333333333333 162.500 > 4 107 Dy 0.55555555555556 0.77777777777778 0.83333333333333 162.500 > 4 108 Dy 0.88888888888889 0.77777777777778 0.83333333333333 162.500 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6851382 -0.0000000 0.0000000 0.0000000 5.6851382 0.0000000 0.0000000 0.0000000 4.8071202 -------------------------- Born effective charges -------------------------- 1 S -2.7852721 0.0000000 0.0000000 0.0000000 -2.7852721 0.0000000 0.0000000 0.0000000 -2.1271414 2 S -2.7852721 0.0000000 0.0000000 0.0000000 -2.7852721 0.0000000 0.0000000 0.0000000 -2.1271414 3 Cs 1.1284141 -0.0000000 0.0000000 0.0000000 1.1284141 0.0000000 0.0000000 0.0000000 2.2423503 4 Dy 4.4421301 -0.0000000 0.0000000 0.0000000 4.4421301 0.0000000 0.0000000 0.0000000 2.0119324 ---------------------------------------------------------------------------- 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: 214 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: 0.111 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.118 --------------------------------- 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: 214 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 2026-01-07 23:12:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:12:37]------------------------- 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 2.016623049498896 1.164297860482189 7.929540169999992 b -2.016623049498891 1.164297860482189 7.929540169999992 c 0.000000000000002 -2.328595720964381 7.929540169999992 Atomic positions (fractional): 1 S 0.77220502311937 0.77220502311937 0.77220502311937 32.065 2 S 0.22779497688064 0.22779497688064 0.22779497688063 32.065 3 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 4 Dy 0.50000000000000 0.50000000000000 0.50000000000000 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.099738296993362 0.000000000000000 0.000000000000000 b -6.049869148496679 10.478680744339711 0.000000000000000 c 0.000000000000000 0.000000000000000 23.788620510000001 Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.10553835645270 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10553835645270 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10553835645270 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10553835645270 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10553835645270 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10553835645270 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10553835645270 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10553835645270 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10553835645270 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.22779497688063 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.22779497688063 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.22779497688063 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.22779497688063 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.22779497688063 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.22779497688063 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.22779497688063 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.22779497688063 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.22779497688063 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.43887168978603 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43887168978603 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43887168978603 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43887168978603 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43887168978603 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43887168978603 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43887168978603 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43887168978603 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43887168978603 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56112831021397 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.56112831021397 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.56112831021397 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.56112831021397 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.56112831021397 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.56112831021397 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.56112831021397 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.56112831021397 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.56112831021397 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.77220502311937 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.77220502311937 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.77220502311937 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.77220502311937 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.77220502311937 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.77220502311937 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.77220502311937 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.77220502311937 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.77220502311937 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89446164354730 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.89446164354730 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.89446164354730 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.89446164354730 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.89446164354730 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.89446164354730 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.89446164354730 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.89446164354730 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.89446164354730 32.065 > 10 55 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 55 56 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 55 57 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 55 58 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 55 59 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 55 60 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 55 61 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 55 62 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 55 63 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 55 64 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 55 65 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 55 66 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 55 67 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 55 68 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 55 69 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 55 70 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 55 71 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 55 72 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 55 73 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 55 74 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 55 75 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 55 76 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 55 77 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 55 78 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 55 79 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 55 80 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 55 81 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 55 82 Dy 0.11111111111111 0.22222222222222 0.16666666666667 162.500 > 82 83 Dy 0.44444444444444 0.22222222222222 0.16666666666667 162.500 > 82 84 Dy 0.77777777777778 0.22222222222222 0.16666666666667 162.500 > 82 85 Dy 0.11111111111111 0.55555555555556 0.16666666666667 162.500 > 82 86 Dy 0.44444444444444 0.55555555555556 0.16666666666667 162.500 > 82 87 Dy 0.77777777777778 0.55555555555556 0.16666666666667 162.500 > 82 88 Dy 0.11111111111111 0.88888888888889 0.16666666666667 162.500 > 82 89 Dy 0.44444444444444 0.88888888888889 0.16666666666667 162.500 > 82 90 Dy 0.77777777777778 0.88888888888889 0.16666666666667 162.500 > 82 91 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 82 92 Dy 0.33333333333333 0.00000000000000 0.50000000000000 162.500 > 82 93 Dy 0.66666666666667 0.00000000000000 0.50000000000000 162.500 > 82 94 Dy 0.00000000000000 0.33333333333333 0.50000000000000 162.500 > 82 95 Dy 0.33333333333333 0.33333333333333 0.50000000000000 162.500 > 82 96 Dy 0.66666666666667 0.33333333333333 0.50000000000000 162.500 > 82 97 Dy 0.00000000000000 0.66666666666667 0.50000000000000 162.500 > 82 98 Dy 0.33333333333333 0.66666666666667 0.50000000000000 162.500 > 82 99 Dy 0.66666666666667 0.66666666666667 0.50000000000000 162.500 > 82 100 Dy 0.22222222222222 0.11111111111111 0.83333333333333 162.500 > 82 101 Dy 0.55555555555556 0.11111111111111 0.83333333333333 162.500 > 82 102 Dy 0.88888888888889 0.11111111111111 0.83333333333333 162.500 > 82 103 Dy 0.22222222222222 0.44444444444444 0.83333333333333 162.500 > 82 104 Dy 0.55555555555556 0.44444444444444 0.83333333333333 162.500 > 82 105 Dy 0.88888888888889 0.44444444444444 0.83333333333333 162.500 > 82 106 Dy 0.22222222222222 0.77777777777778 0.83333333333333 162.500 > 82 107 Dy 0.55555555555556 0.77777777777778 0.83333333333333 162.500 > 82 108 Dy 0.88888888888889 0.77777777777778 0.83333333333333 162.500 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6851382 -0.0000000 0.0000000 0.0000000 5.6851382 0.0000000 0.0000000 0.0000000 4.8071202 -------------------------- Born effective charges -------------------------- 1 S -2.7852721 0.0000000 0.0000000 0.0000000 -2.7852721 0.0000000 0.0000000 0.0000000 -2.1271414 2 S -2.7852721 0.0000000 0.0000000 0.0000000 -2.7852721 0.0000000 0.0000000 0.0000000 -2.1271414 3 Cs 1.1284141 -0.0000000 0.0000000 0.0000000 1.1284141 0.0000000 0.0000000 0.0000000 2.2423503 4 Dy 4.4421301 -0.0000000 0.0000000 0.0000000 4.4421301 0.0000000 0.0000000 0.0000000 2.0119324 ---------------------------------------------------------------------------- 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 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:12:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:12:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.016623049498896 1.164297860482189 7.929540169999992 b -2.016623049498891 1.164297860482189 7.929540169999992 c 0.000000000000002 -2.328595720964381 7.929540169999992 Atomic positions (fractional): 1 S 0.77220502311937 0.77220502311937 0.77220502311937 32.065 2 S 0.22779497688064 0.22779497688064 0.22779497688063 32.065 3 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 4 Dy 0.50000000000000 0.50000000000000 0.50000000000000 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.099738296993362 0.000000000000000 0.000000000000000 b -6.049869148496679 10.478680744339711 0.000000000000000 c 0.000000000000000 0.000000000000000 23.788620510000001 Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.10553835645270 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10553835645270 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10553835645270 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10553835645270 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10553835645270 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10553835645270 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10553835645270 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10553835645270 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10553835645270 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.22779497688063 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.22779497688063 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.22779497688063 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.22779497688063 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.22779497688063 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.22779497688063 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.22779497688063 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.22779497688063 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.22779497688063 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.43887168978603 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43887168978603 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43887168978603 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43887168978603 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43887168978603 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43887168978603 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43887168978603 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43887168978603 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43887168978603 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56112831021397 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.56112831021397 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.56112831021397 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.56112831021397 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.56112831021397 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.56112831021397 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.56112831021397 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.56112831021397 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.56112831021397 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.77220502311937 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.77220502311937 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.77220502311937 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.77220502311937 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.77220502311937 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.77220502311937 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.77220502311937 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.77220502311937 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.77220502311937 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89446164354730 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.89446164354730 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.89446164354730 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.89446164354730 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.89446164354730 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.89446164354730 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.89446164354730 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.89446164354730 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.89446164354730 32.065 > 10 55 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 55 56 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 55 57 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 55 58 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 55 59 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 55 60 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 55 61 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 55 62 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 55 63 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 55 64 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 55 65 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 55 66 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 55 67 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 55 68 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 55 69 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 55 70 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 55 71 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 55 72 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 55 73 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 55 74 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 55 75 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 55 76 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 55 77 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 55 78 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 55 79 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 55 80 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 55 81 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 55 82 Dy 0.11111111111111 0.22222222222222 0.16666666666667 162.500 > 82 83 Dy 0.44444444444444 0.22222222222222 0.16666666666667 162.500 > 82 84 Dy 0.77777777777778 0.22222222222222 0.16666666666667 162.500 > 82 85 Dy 0.11111111111111 0.55555555555556 0.16666666666667 162.500 > 82 86 Dy 0.44444444444444 0.55555555555556 0.16666666666667 162.500 > 82 87 Dy 0.77777777777778 0.55555555555556 0.16666666666667 162.500 > 82 88 Dy 0.11111111111111 0.88888888888889 0.16666666666667 162.500 > 82 89 Dy 0.44444444444444 0.88888888888889 0.16666666666667 162.500 > 82 90 Dy 0.77777777777778 0.88888888888889 0.16666666666667 162.500 > 82 91 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 82 92 Dy 0.33333333333333 0.00000000000000 0.50000000000000 162.500 > 82 93 Dy 0.66666666666667 0.00000000000000 0.50000000000000 162.500 > 82 94 Dy 0.00000000000000 0.33333333333333 0.50000000000000 162.500 > 82 95 Dy 0.33333333333333 0.33333333333333 0.50000000000000 162.500 > 82 96 Dy 0.66666666666667 0.33333333333333 0.50000000000000 162.500 > 82 97 Dy 0.00000000000000 0.66666666666667 0.50000000000000 162.500 > 82 98 Dy 0.33333333333333 0.66666666666667 0.50000000000000 162.500 > 82 99 Dy 0.66666666666667 0.66666666666667 0.50000000000000 162.500 > 82 100 Dy 0.22222222222222 0.11111111111111 0.83333333333333 162.500 > 82 101 Dy 0.55555555555556 0.11111111111111 0.83333333333333 162.500 > 82 102 Dy 0.88888888888889 0.11111111111111 0.83333333333333 162.500 > 82 103 Dy 0.22222222222222 0.44444444444444 0.83333333333333 162.500 > 82 104 Dy 0.55555555555556 0.44444444444444 0.83333333333333 162.500 > 82 105 Dy 0.88888888888889 0.44444444444444 0.83333333333333 162.500 > 82 106 Dy 0.22222222222222 0.77777777777778 0.83333333333333 162.500 > 82 107 Dy 0.55555555555556 0.77777777777778 0.83333333333333 162.500 > 82 108 Dy 0.88888888888889 0.77777777777778 0.83333333333333 162.500 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6851382 -0.0000000 0.0000000 0.0000000 5.6851382 0.0000000 0.0000000 0.0000000 4.8071202 -------------------------- Born effective charges -------------------------- 1 S -2.7852721 0.0000000 0.0000000 0.0000000 -2.7852721 0.0000000 0.0000000 0.0000000 -2.1271414 2 S -2.7852721 0.0000000 0.0000000 0.0000000 -2.7852721 0.0000000 0.0000000 0.0000000 -2.1271414 3 Cs 1.1284141 -0.0000000 0.0000000 0.0000000 1.1284141 0.0000000 0.0000000 0.0000000 2.2423503 4 Dy 4.4421301 -0.0000000 0.0000000 0.0000000 4.4421301 0.0000000 0.0000000 0.0000000 2.0119324 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (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: 0.86, Number of G-points: 295, 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 0.00e+00 5.20e-05 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 1.673 ( 0.000 0.000 0.000) 0.000 1.673 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 5.018 ( 0.000 0.000 0.000) 0.000 5.018 ( 0.000 0.000 0.000) 0.000 6.348 ( 0.000 0.000 0.000) 0.000 6.348 ( 0.000 0.000 0.000) 0.000 6.818 ( 0.000 0.000 0.000) 0.000 8.116 ( 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 17.016 9.824 -6.124) 20.581 0.404 ( 17.457 10.079 -4.480) 20.650 0.820 ( 31.439 18.151 13.617) 38.772 1.690 ( 1.405 0.811 0.635) 1.742 1.760 ( 7.202 4.158 -1.816) 8.512 3.047 ( -1.688 -0.974 1.479) 2.447 5.050 ( 2.664 1.538 0.268) 3.087 6.302 ( -3.677 -2.123 -0.090) 4.247 6.327 ( -1.724 -0.996 -0.041) 1.992 6.822 ( 4.878 2.816 -17.608) 18.487 7.979 ( -9.247 -5.339 3.316) 11.181 8.307 ( 1.956 1.129 0.030) 2.259 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 15.748 9.092 -5.778) 19.080 0.791 ( 16.642 9.608 -6.464) 20.274 1.491 ( 19.954 11.520 10.939) 25.506 1.746 ( 3.241 1.871 1.297) 3.961 2.043 ( 18.672 10.780 -2.501) 21.705 2.998 ( -2.491 -1.438 -0.352) 2.898 5.145 ( 5.220 3.014 0.306) 6.036 6.188 ( -5.559 -3.210 -0.681) 6.455 6.273 ( -2.638 -1.523 -0.012) 3.047 6.898 ( 4.122 2.380 -5.805) 7.507 7.744 ( -11.145 -6.435 2.911) 13.194 8.308 ( -1.406 -0.812 -3.223) 3.609 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 12.335 7.121 -5.155) 15.147 1.144 ( 15.017 8.670 -8.299) 19.224 1.819 ( 8.053 4.649 4.071) 10.151 1.858 ( 5.910 3.412 1.743) 7.043 2.575 ( 22.394 12.929 -2.304) 25.961 2.950 ( -0.282 -0.163 3.452) 3.467 5.294 ( 7.177 4.143 0.035) 8.287 6.053 ( -5.110 -2.950 -1.865) 6.188 6.212 ( -2.332 -1.347 0.145) 2.697 6.966 ( 2.038 1.176 -0.088) 2.354 7.477 ( -11.953 -6.901 1.758) 13.913 8.233 ( -3.502 -2.022 -4.809) 6.283 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 7.544 4.356 -3.912) 9.549 1.449 ( 12.978 7.493 -8.885) 17.422 1.959 ( 3.841 2.218 0.353) 4.449 2.033 ( 8.184 4.725 1.491) 9.567 2.768 ( -2.347 -1.355 -0.719) 2.804 3.232 ( 18.723 10.810 4.784) 22.142 5.472 ( 7.606 4.392 -0.436) 8.794 5.956 ( -2.077 -1.199 -3.188) 3.990 6.172 ( -0.951 -0.549 0.436) 1.182 6.977 ( -2.104 -1.215 4.235) 4.882 7.196 ( -11.486 -6.632 -1.668) 13.368 8.140 ( -2.747 -1.586 -4.482) 5.491 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 3.947 2.279 -2.397) 5.150 1.705 ( 10.863 6.272 -7.745) 14.741 2.025 ( 2.287 1.321 -1.268) 2.930 2.229 ( 7.575 4.374 0.852) 8.789 2.661 ( -6.553 -3.783 4.051) 8.583 3.630 ( 13.357 7.712 1.645) 15.511 5.633 ( 5.848 3.376 -0.806) 6.801 5.949 ( 2.514 1.451 -3.874) 4.841 6.173 ( 0.784 0.452 0.693) 1.140 6.826 ( -12.281 -7.091 5.367) 15.163 7.001 ( -3.481 -2.010 -3.886) 5.591 8.089 ( -0.631 -0.364 -2.570) 2.671 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 1.711 0.988 -1.103) 2.263 1.901 ( 6.434 3.714 -4.148) 8.509 2.088 ( 4.433 2.560 -3.133) 6.002 2.375 ( 4.370 2.523 0.351) 5.058 2.494 ( -8.502 -4.909 5.523) 11.264 3.865 ( 6.370 3.678 0.280) 7.361 5.733 ( 2.827 1.632 -0.649) 3.329 6.050 ( 6.843 3.951 -3.448) 8.621 6.204 ( 1.341 0.774 0.548) 1.643 6.529 ( -12.741 -7.356 2.278) 14.888 6.938 ( -1.597 -0.922 -1.141) 2.169 8.084 ( 0.337 0.195 -0.885) 0.966 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 2.189 ( -0.000 -0.000 0.000) 0.000 2.352 ( 0.000 0.000 -0.000) 0.000 2.428 ( 0.000 0.000 0.000) 0.000 3.939 ( 0.000 0.000 0.000) 0.000 5.765 ( 0.000 0.000 0.000) 0.000 6.214 ( -0.000 -0.000 0.000) 0.000 6.223 ( 0.000 0.000 0.000) 0.000 6.292 ( 0.000 0.000 -0.000) 0.000 6.917 ( 0.000 0.000 0.000) 0.000 8.088 ( 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 0.000 19.122 12.756) 22.986 0.493 ( 0.000 20.736 10.765) 23.364 0.765 ( 0.000 34.406 4.283) 34.671 1.676 ( -0.000 1.088 -2.414) 2.648 1.769 ( -0.000 8.908 -0.013) 8.908 3.054 ( 0.000 -3.252 2.649) 4.194 5.050 ( 0.000 3.064 0.315) 3.080 6.298 ( -0.000 -4.111 -1.163) 4.272 6.326 ( -0.000 -2.029 -0.282) 2.048 6.739 ( -0.000 12.153 -32.586) 34.779 7.992 ( 0.000 -11.065 5.257) 12.250 8.318 ( 0.000 1.724 2.096) 2.714 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 1.630 16.090 10.166) 19.102 0.846 ( 5.671 23.034 -2.737) 23.880 1.321 ( 18.741 20.074 10.693) 29.471 1.713 ( 3.014 1.979 -1.996) 4.122 1.944 ( 7.271 15.509 -1.243) 17.174 3.008 ( -1.396 -2.931 -1.187) 3.457 5.114 ( 2.653 4.547 0.535) 5.292 6.222 ( -2.952 -5.061 -0.745) 5.906 6.288 ( -1.229 -2.370 -0.305) 2.687 6.817 ( 4.833 5.641 -15.481) 17.171 7.827 ( -6.436 -11.059 4.756) 13.651 8.321 ( -1.354 0.174 -1.527) 2.048 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 9.476 10.763 2.999) 14.650 1.153 ( 5.394 19.971 -5.890) 21.509 1.731 ( 9.484 6.413 5.257) 12.598 1.814 ( 4.977 4.882 0.614) 6.999 2.373 ( 18.033 21.071 -1.088) 27.755 2.952 ( -0.688 -2.540 -0.262) 2.644 5.238 ( 4.974 5.965 0.539) 7.786 6.098 ( -4.605 -4.604 -1.317) 6.644 6.240 ( -1.814 -1.378 -0.177) 2.285 6.909 ( 4.624 1.874 -6.395) 8.111 7.589 ( -9.256 -10.283 3.923) 14.381 8.259 ( -3.462 -1.972 -3.768) 5.484 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 9.964 6.661 -0.853) 12.016 1.406 ( 4.964 15.383 -6.765) 17.523 1.902 ( 5.344 2.423 0.272) 5.874 1.982 ( 5.806 7.661 1.889) 9.797 2.760 ( 3.479 4.243 -4.503) 7.099 3.066 ( 14.169 10.637 6.258) 18.790 5.408 ( 6.202 7.049 0.237) 9.392 5.977 ( -3.526 -2.960 -2.380) 5.182 6.202 ( -1.726 0.550 -0.069) 1.813 6.968 ( 2.441 -0.713 -1.724) 3.072 7.317 ( -11.020 -9.573 2.437) 14.800 8.154 ( -3.440 -2.893 -4.388) 6.281 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 6.490 4.367 -1.703) 8.006 1.614 ( 6.088 10.901 -6.722) 14.180 1.986 ( 2.933 0.729 -1.062) 3.204 2.181 ( 6.041 8.687 1.294) 10.660 2.734 ( -3.633 -1.845 1.170) 4.240 3.483 ( 14.439 10.947 2.765) 18.330 5.588 ( 5.380 7.275 -0.274) 9.052 5.917 ( 0.171 -0.548 -3.135) 3.187 6.193 ( -0.929 2.431 0.092) 2.605 6.961 ( -3.296 -2.511 3.759) 5.595 7.027 ( -9.507 -8.179 -3.057) 12.909 8.074 ( -0.810 -2.678 -3.061) 4.147 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 2.477 3.572 -1.241) 4.521 1.806 ( 7.134 6.616 -5.454) 11.154 2.034 ( 2.845 0.546 -1.738) 3.378 2.353 ( 3.527 6.117 1.347) 7.189 2.629 ( -7.221 -0.374 3.293) 7.945 3.779 ( 8.700 5.680 0.995) 10.438 5.730 ( 2.532 6.536 -0.650) 7.040 5.959 ( 4.855 1.513 -2.975) 5.892 6.216 ( -0.059 3.334 0.103) 3.336 6.701 ( -13.508 -6.723 2.107) 15.235 6.941 ( -0.764 -1.983 -1.782) 2.773 8.051 ( 1.526 -2.410 -1.193) 3.092 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -0.119 2.818 -0.537) 2.871 1.935 ( 3.321 1.187 -1.971) 4.040 2.112 ( 5.546 1.355 -3.435) 6.663 2.392 ( -2.796 -2.355 3.253) 4.893 2.542 ( -6.318 8.425 0.873) 10.567 3.919 ( 3.080 1.163 0.537) 3.336 5.804 ( -0.860 5.340 -0.449) 5.427 6.082 ( 7.286 0.146 -1.628) 7.467 6.257 ( 0.858 4.508 -0.754) 4.650 6.425 ( -11.607 -3.512 2.042) 12.298 6.914 ( -0.182 -0.738 -0.684) 1.022 8.057 ( 1.943 -2.595 -0.047) 3.242 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -1.969 1.629 0.305) 2.574 1.947 ( -1.153 -1.740 0.806) 2.237 2.137 ( -2.515 -4.181 1.739) 5.179 2.366 ( 2.464 1.061 -2.227) 3.487 2.534 ( -5.452 9.511 -0.923) 11.002 3.919 ( -2.753 -2.153 0.513) 3.532 5.807 ( -3.915 3.517 0.159) 5.265 6.096 ( -2.444 -6.124 1.364) 6.733 6.267 ( -5.383 1.645 1.343) 5.787 6.407 ( 8.821 8.242 -1.988) 12.235 6.918 ( 1.190 -0.029 0.191) 1.206 8.061 ( 1.509 -2.820 0.730) 3.281 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -3.785 -0.489 1.369) 4.054 1.852 ( -7.494 -3.117 4.586) 9.323 2.052 ( -2.441 -2.488 2.118) 4.078 2.340 ( -6.294 -0.528 -1.408) 6.471 2.595 ( 3.262 7.206 -4.152) 8.933 3.774 ( -9.899 -4.863 -0.184) 11.030 5.736 ( -6.831 0.939 0.600) 6.921 5.987 ( -3.183 -3.800 3.124) 5.859 6.217 ( -3.386 2.144 0.200) 4.013 6.675 ( 11.727 8.125 -3.675) 14.732 6.958 ( 3.101 -0.068 1.766) 3.569 8.065 ( 1.835 -2.249 1.927) 3.484 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -6.358 -4.134 2.866) 8.107 1.676 ( -11.532 -0.805 6.795) 13.409 1.994 ( -2.657 -2.205 0.719) 3.527 2.169 ( -10.606 -1.153 -1.349) 10.753 2.718 ( 4.892 3.515 -2.443) 6.500 3.461 ( -17.988 -7.280 -1.986) 19.507 5.592 ( -9.051 -1.355 0.490) 9.165 5.946 ( 0.403 -0.907 3.137) 3.290 6.192 ( -1.838 2.400 -0.135) 3.026 6.908 ( 6.497 4.358 -7.000) 10.498 7.064 ( 8.980 1.642 4.225) 10.059 8.104 ( 3.426 -0.555 3.423) 4.874 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -10.413 -7.659 4.018) 13.537 1.470 ( -15.314 2.279 7.211) 17.079 1.894 ( -5.928 -3.315 -1.636) 6.986 1.964 ( -9.693 -1.324 -1.839) 9.955 2.800 ( -2.272 0.700 4.220) 4.844 3.007 ( -18.668 -7.344 -6.576) 21.111 5.408 ( -9.292 -2.148 0.147) 9.538 5.997 ( 4.056 1.068 2.032) 4.661 6.202 ( 0.345 1.986 -0.143) 2.021 6.962 ( 0.765 -0.258 -3.094) 3.198 7.308 ( 12.755 3.604 0.358) 13.259 8.192 ( 4.617 0.939 3.770) 6.034 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -14.374 -7.468 3.169) 16.505 1.209 ( -19.803 3.234 6.128) 20.980 1.683 ( -13.290 -4.568 -4.629) 14.795 1.808 ( -6.082 -0.797 -1.132) 6.238 2.383 ( -27.531 -5.411 0.894) 28.072 2.949 ( 3.997 0.407 -0.829) 4.102 5.236 ( -7.711 -1.469 -0.067) 7.850 6.108 ( 6.068 1.323 0.724) 6.253 6.240 ( 2.124 1.002 -0.075) 2.350 6.939 ( -1.722 -0.950 -0.108) 1.970 7.567 ( 12.874 2.502 -0.765) 13.137 8.287 ( 3.420 0.845 2.287) 4.200 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -16.273 0.000 0.000) 16.273 0.862 ( -22.875 0.000 0.000) 22.875 1.270 ( -28.592 0.000 0.000) 28.592 1.722 ( -3.138 0.000 0.000) 3.138 1.949 ( -16.909 0.000 0.000) 16.909 3.013 ( 2.766 -0.000 -0.000) 2.766 5.112 ( -5.274 0.000 0.000) 5.274 6.226 ( 5.898 -0.000 -0.000) 5.898 6.290 ( 2.691 -0.000 -0.000) 2.691 6.891 ( -2.900 0.000 0.000) 2.900 7.803 ( 12.144 -0.000 -0.000) 12.144 8.328 ( 0.198 -0.000 -0.000) 0.198 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 0.000 17.040 11.409) 20.507 0.969 ( 0.000 19.907 8.548) 21.665 1.399 ( 0.000 23.453 4.109) 23.810 1.693 ( -0.000 2.919 -4.634) 5.477 2.068 ( -0.000 21.112 0.035) 21.112 2.978 ( -0.000 -4.184 -2.624) 4.939 5.148 ( 0.000 6.151 0.610) 6.181 6.188 ( -0.000 -5.591 -0.676) 5.631 6.268 ( -0.000 -3.169 -0.531) 3.214 6.788 ( -0.000 6.146 -15.486) 16.661 7.770 ( 0.000 -13.150 4.629) 13.941 8.334 ( -0.000 -0.561 -0.762) 0.946 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -4.547 15.996 11.323) 20.118 1.266 ( 4.121 18.528 -0.221) 18.982 1.677 ( 6.020 9.702 3.443) 11.925 1.773 ( 5.700 6.644 -1.698) 8.917 2.383 ( 8.037 26.175 -0.917) 27.396 2.920 ( -0.077 -4.259 -2.341) 4.861 5.243 ( 2.586 7.546 0.820) 8.019 6.108 ( -2.513 -5.181 -0.623) 5.792 6.235 ( 0.038 -2.415 -0.462) 2.459 6.829 ( 3.410 2.508 -10.483) 11.305 7.607 ( -4.533 -12.725 4.187) 14.142 8.291 ( -2.963 -1.962 -1.842) 4.003 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 0.669 12.226 6.723) 13.969 1.489 ( 2.358 15.453 -4.083) 16.156 1.835 ( 5.176 4.027 -0.911) 6.621 1.971 ( 6.043 8.781 2.261) 10.896 2.737 ( 3.955 8.472 -6.832) 11.579 2.979 ( 9.934 10.726 5.599) 15.656 5.395 ( 4.679 8.804 1.012) 10.021 6.001 ( -3.605 -3.660 -1.426) 5.332 6.222 ( 0.123 -0.031 -0.508) 0.523 6.880 ( 4.221 -1.225 -6.324) 7.701 7.387 ( -7.494 -11.406 3.844) 14.179 8.186 ( -4.743 -3.048 -2.993) 6.384 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 3.305 8.676 2.942) 9.739 1.649 ( 1.922 11.651 -4.765) 12.734 1.934 ( 3.329 1.130 -1.441) 3.800 2.183 ( 5.810 10.317 1.836) 11.982 2.753 ( -0.155 -0.955 -1.747) 1.997 3.375 ( 12.854 14.528 2.932) 19.619 5.583 ( 5.142 9.420 0.893) 10.769 5.916 ( -1.999 -1.408 -2.131) 3.244 6.235 ( -0.139 2.780 -0.918) 2.931 6.906 ( 3.174 -3.620 -4.507) 6.594 7.137 ( -9.909 -9.306 3.773) 14.107 8.065 ( -3.358 -3.526 -2.987) 5.712 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 2.730 6.719 1.065) 7.331 1.778 ( 2.977 8.025 -3.980) 9.439 1.982 ( 2.637 -0.248 -1.648) 3.120 2.367 ( 3.314 6.647 2.331) 7.784 2.740 ( -2.268 3.598 0.677) 4.307 3.690 ( 8.950 7.673 1.089) 11.839 5.757 ( 3.406 8.629 0.404) 9.286 5.903 ( 1.800 0.951 -2.072) 2.905 6.264 ( -0.477 4.331 -1.392) 4.574 6.844 ( -7.695 -7.422 -2.387) 10.955 6.926 ( -2.439 -2.500 2.191) 4.123 7.992 ( 0.223 -3.890 -1.775) 4.282 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 0.079 5.614 0.196) 5.618 1.887 ( 3.142 3.207 -2.244) 5.019 2.030 ( 3.873 0.184 -2.055) 4.388 2.420 ( -1.239 -1.032 3.144) 3.533 2.761 ( -5.054 12.328 0.149) 13.325 3.860 ( 5.037 1.449 0.558) 5.271 5.874 ( 0.774 6.976 0.091) 7.019 5.976 ( 4.663 1.404 -1.358) 5.055 6.294 ( -0.212 4.016 -1.900) 4.448 6.602 ( -11.095 -3.000 1.412) 11.580 6.905 ( 0.117 -0.735 -0.597) 0.954 7.975 ( 2.675 -4.452 -0.502) 5.218 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -2.375 4.326 0.155) 4.938 1.931 ( 1.091 -0.604 -0.518) 1.350 2.090 ( 2.960 -1.944 -1.847) 3.994 2.372 ( -2.020 -0.698 1.540) 2.634 2.783 ( -8.248 13.976 -0.406) 16.234 3.913 ( 1.293 -2.241 0.792) 2.705 5.920 ( -2.974 5.240 0.138) 6.027 6.044 ( 2.409 -2.696 0.044) 3.615 6.341 ( 1.982 2.173 -1.923) 3.514 6.444 ( -6.598 5.792 1.928) 8.989 6.904 ( 0.262 -0.003 -0.510) 0.573 7.981 ( 3.131 -4.775 0.387) 5.723 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -4.550 2.076 0.539) 5.031 1.915 ( -1.819 -1.596 0.931) 2.593 2.063 ( -1.269 -3.651 0.971) 3.985 2.370 ( 0.507 0.611 -1.851) 2.014 2.749 ( -9.226 11.003 -1.063) 14.398 3.861 ( -4.279 -3.589 0.705) 5.630 5.878 ( -6.138 2.464 0.490) 6.632 6.001 ( -2.349 -3.723 1.275) 4.583 6.326 ( -4.293 3.097 1.310) 5.453 6.566 ( 8.004 8.502 -2.254) 11.892 6.913 ( 1.479 -0.846 0.214) 1.717 7.992 ( 3.198 -4.103 1.222) 5.344 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -6.765 -0.927 1.183) 6.929 1.840 ( -5.847 -0.370 2.618) 6.417 2.013 ( -1.573 -2.148 1.290) 2.959 2.327 ( -6.222 0.027 -1.564) 6.416 2.716 ( -2.566 5.687 -1.957) 6.539 3.678 ( -12.507 -3.913 -0.128) 13.105 5.757 ( -9.346 0.565 0.416) 9.372 5.940 ( -0.802 -2.078 1.786) 2.855 6.284 ( -4.565 3.462 0.770) 5.781 6.803 ( 9.514 6.830 -5.085) 12.768 6.948 ( 4.549 -2.343 2.851) 5.857 8.028 ( 4.259 -2.177 1.959) 5.168 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -9.484 -2.306 1.448) 9.868 1.721 ( -9.214 1.217 2.825) 9.714 1.952 ( -3.799 -1.626 0.020) 4.132 2.153 ( -11.825 -0.026 -0.806) 11.852 2.767 ( 3.859 1.758 -0.563) 4.278 3.335 ( -21.546 -3.363 -1.045) 21.832 5.575 ( -10.780 -0.475 0.127) 10.791 5.948 ( 2.343 -0.250 1.181) 2.636 6.245 ( -2.885 1.836 0.190) 3.424 6.927 ( 2.279 0.965 -3.066) 3.941 7.108 ( 12.438 0.757 1.452) 12.545 8.111 ( 5.607 -0.281 1.717) 5.871 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -12.883 0.000 0.000) 12.883 1.534 ( -13.896 0.000 0.000) 13.896 1.840 ( -7.797 0.000 0.000) 7.797 1.947 ( -10.263 0.000 0.000) 10.263 2.863 ( 5.362 -0.000 -0.000) 5.362 2.865 ( -28.101 0.000 0.000) 28.101 5.386 ( -9.906 0.000 0.000) 9.906 6.016 ( 4.876 -0.000 -0.000) 4.876 6.227 ( -0.143 0.000 0.000) 0.143 6.946 ( 0.247 -0.000 -0.000) 0.247 7.346 ( 13.220 -0.000 -0.000) 13.220 8.214 ( 5.403 -0.000 -0.000) 5.403 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.000 10.615 7.876) 13.218 1.393 ( 0.000 16.977 5.270) 17.776 1.765 ( -0.000 7.798 -4.758) 9.135 1.765 ( 0.000 11.476 3.533) 12.008 2.588 ( -0.000 26.255 -3.264) 26.457 2.866 ( -0.000 -3.502 -0.872) 3.609 5.304 ( 0.000 8.553 0.710) 8.583 6.082 ( 0.000 -4.166 0.130) 4.168 6.200 ( -0.000 -2.857 -0.603) 2.920 6.787 ( -0.000 1.035 -10.055) 10.109 7.522 ( 0.000 -13.243 3.425) 13.678 8.294 ( -0.000 -2.495 -1.089) 2.722 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -3.150 8.539 6.125) 10.970 1.593 ( 1.996 13.425 0.439) 13.580 1.831 ( 0.650 7.803 -1.708) 8.014 1.959 ( 6.295 9.380 1.644) 11.415 2.723 ( 0.874 -0.855 -8.103) 8.195 3.006 ( 5.983 21.138 5.250) 22.587 5.424 ( 2.936 9.278 0.865) 9.770 6.021 ( -2.655 -2.675 -0.371) 3.787 6.193 ( 1.860 -1.204 -0.465) 2.264 6.780 ( 2.507 -1.956 -7.679) 8.311 7.369 ( -3.254 -12.297 2.874) 13.041 8.228 ( -3.705 -2.896 -1.455) 4.923 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -0.163 7.460 4.264) 8.594 1.733 ( 0.599 10.414 -2.332) 10.689 1.903 ( 1.291 3.084 -1.777) 3.786 2.184 ( 6.726 10.356 1.774) 12.475 2.704 ( 2.602 -3.079 -3.086) 5.077 3.365 ( 8.024 18.679 2.638) 20.500 5.597 ( 4.891 9.768 1.237) 10.994 5.946 ( -3.152 -0.792 -1.196) 3.463 6.233 ( 2.475 1.474 -1.133) 3.096 6.783 ( 3.678 -4.622 -5.378) 7.988 7.183 ( -5.478 -10.210 2.745) 11.907 8.107 ( -5.538 -2.975 -1.972) 6.589 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 1.882 7.180 3.166) 8.069 1.823 ( 0.347 7.508 -2.614) 7.957 1.935 ( 1.541 0.056 -1.979) 2.510 2.377 ( 3.570 5.699 2.731) 7.258 2.763 ( 4.728 4.008 -0.657) 6.232 3.648 ( 5.968 10.540 0.888) 12.145 5.784 ( 4.173 8.913 1.274) 9.924 5.904 ( -0.984 1.434 -1.257) 2.145 6.290 ( 1.505 2.995 -2.629) 4.260 6.782 ( 3.175 -5.131 -3.541) 6.996 6.995 ( -6.336 -6.570 2.926) 9.585 7.980 ( -4.030 -3.237 -1.920) 5.514 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 0.938 7.014 1.893) 7.325 1.885 ( 0.610 3.664 -1.085) 3.870 1.962 ( 2.840 -0.417 -1.816) 3.396 2.432 ( -0.235 -0.817 2.827) 2.952 2.928 ( 2.465 13.325 -0.152) 13.551 3.794 ( 3.475 1.898 0.055) 3.960 5.901 ( 1.962 3.999 0.335) 4.467 5.954 ( 1.926 5.278 -0.109) 5.619 6.316 ( 0.085 0.988 -3.655) 3.787 6.737 ( -4.713 -1.097 -0.162) 4.842 6.891 ( -0.268 -1.828 1.195) 2.201 7.897 ( -0.322 -4.311 -1.246) 4.499 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -1.945 6.323 0.840) 6.669 1.910 ( 0.546 0.179 -0.367) 0.682 2.010 ( 3.315 -1.496 -1.342) 3.877 2.403 ( -1.766 -1.307 1.788) 2.833 3.067 ( -4.970 16.350 -0.308) 17.091 3.835 ( 3.315 -4.290 0.343) 5.432 5.982 ( 3.049 1.447 0.653) 3.437 6.007 ( -1.316 3.809 -0.045) 4.030 6.307 ( 1.271 -1.573 -2.949) 3.575 6.647 ( -7.250 6.206 1.796) 9.711 6.901 ( 0.508 0.319 -0.502) 0.782 7.870 ( 2.827 -5.295 -0.319) 6.010 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -4.996 4.143 0.524) 6.511 1.914 ( 0.226 -0.674 -0.072) 0.714 2.022 ( 1.487 -3.410 -0.758) 3.797 2.376 ( -0.855 0.289 0.226) 0.930 3.063 ( -11.826 12.334 -0.550) 17.096 3.842 ( 2.238 -4.680 0.747) 5.241 5.966 ( -2.579 -1.223 -0.102) 2.856 6.029 ( -2.222 1.712 1.134) 3.026 6.340 ( 4.158 -0.323 -1.115) 4.317 6.633 ( -4.054 9.832 1.104) 10.693 6.893 ( -0.464 -1.228 -0.955) 1.623 7.882 ( 4.163 -4.492 0.468) 6.143 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -7.224 0.921 0.333) 7.290 1.900 ( -1.453 -0.275 0.307) 1.511 2.008 ( 0.275 -1.800 0.300) 1.846 2.370 ( -0.579 0.210 -0.730) 0.955 2.923 ( -12.791 5.205 -0.484) 13.818 3.799 ( -4.127 -2.191 0.368) 4.686 5.900 ( -4.670 -0.164 0.384) 4.689 5.965 ( -4.476 -0.578 0.443) 4.535 6.385 ( -1.326 1.572 0.516) 2.120 6.719 ( 4.419 6.715 -1.252) 8.136 6.873 ( 1.505 -3.099 0.215) 3.452 7.928 ( 4.719 -2.096 0.703) 5.211 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -8.289 0.000 0.000) 8.289 1.849 ( -4.580 0.000 0.000) 4.580 1.991 ( -1.461 0.000 0.000) 1.461 2.322 ( -6.026 0.000 0.000) 6.026 2.773 ( -5.005 0.000 0.000) 5.005 3.634 ( -13.438 0.000 0.000) 13.438 5.763 ( -10.075 0.000 0.000) 10.075 5.925 ( 0.043 -0.000 -0.000) 0.043 6.329 ( -4.917 0.000 0.000) 4.917 6.889 ( 2.351 -0.000 -0.000) 2.351 6.900 ( 10.940 -0.000 -0.000) 10.940 8.010 ( 5.458 -0.000 -0.000) 5.458 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 0.000 2.945 1.257) 3.202 1.711 ( 0.000 11.877 1.785) 12.011 1.948 ( -0.000 5.334 0.273) 5.341 1.967 ( -0.000 12.479 -0.983) 12.518 2.650 ( -0.000 -5.995 -5.302) 8.003 3.211 ( 0.000 24.245 3.769) 24.536 5.489 ( -0.000 8.648 0.252) 8.652 6.032 ( -0.000 -0.694 -0.115) 0.704 6.156 ( -0.000 -0.845 -0.189) 0.866 6.710 ( -0.000 -3.456 -6.414) 7.286 7.278 ( 0.000 -11.902 1.625) 12.012 8.232 ( -0.000 -2.719 -0.820) 2.840 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 0.838 2.594 0.440) 2.761 1.822 ( 0.028 8.759 -0.142) 8.760 1.945 ( -2.339 3.150 -3.054) 4.972 2.171 ( 6.774 10.597 0.603) 12.592 2.599 ( 2.547 -5.515 -1.226) 6.197 3.482 ( 2.792 20.216 2.568) 20.569 5.610 ( 4.040 8.005 0.219) 8.969 5.999 ( -3.018 0.814 -0.976) 3.275 6.188 ( 3.025 1.045 -0.349) 3.219 6.668 ( 1.872 -5.023 -4.053) 6.721 7.147 ( -2.081 -10.338 0.835) 10.578 8.166 ( -4.037 -2.297 -0.899) 4.731 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 3.271 3.682 1.350) 5.107 1.890 ( -0.504 6.155 -1.511) 6.358 1.924 ( -0.636 0.220 -3.195) 3.266 2.377 ( 4.008 6.012 2.592) 7.676 2.655 ( 8.725 0.368 -0.199) 8.735 3.706 ( 1.933 13.189 1.191) 13.383 5.786 ( 5.872 7.525 0.687) 9.570 5.955 ( -2.854 2.226 -1.170) 3.804 6.259 ( 3.172 1.696 -2.166) 4.199 6.653 ( 3.701 -5.187 -1.471) 6.539 7.009 ( -3.066 -7.621 0.533) 8.232 8.047 ( -6.243 -1.810 -1.159) 6.602 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 4.026 4.795 1.862) 6.532 1.914 ( 0.199 -0.537 -0.169) 0.597 1.928 ( -0.007 3.503 -2.614) 4.371 2.435 ( -0.068 -0.348 2.773) 2.795 2.907 ( 12.423 8.496 -0.185) 15.051 3.809 ( -1.283 5.064 0.050) 5.225 5.923 ( 0.597 3.988 0.367) 4.049 5.973 ( 2.407 5.268 0.042) 5.792 6.292 ( 0.751 -1.191 -3.895) 4.141 6.704 ( 5.938 -1.151 0.374) 6.060 6.898 ( -2.609 -3.915 0.704) 4.758 7.915 ( -5.669 -2.075 -1.231) 6.161 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 1.762 5.687 1.126) 6.059 1.911 ( -0.103 -0.319 0.157) 0.370 1.948 ( 0.993 -0.546 -0.906) 1.451 2.419 ( -1.089 -1.063 1.447) 2.100 3.211 ( 8.367 12.909 0.126) 15.383 3.771 ( -3.185 -3.623 -0.338) 4.836 5.968 ( 1.087 2.627 0.740) 2.938 6.056 ( 0.603 4.133 0.247) 4.184 6.253 ( 0.058 -4.049 -3.182) 5.150 6.789 ( -0.794 4.245 0.508) 4.349 6.869 ( 2.802 -0.926 0.661) 3.024 7.810 ( -2.326 -3.250 -0.866) 4.089 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -3.709 5.116 0.661) 6.354 1.906 ( 0.017 -0.208 -0.040) 0.212 1.948 ( 2.391 -3.568 -0.522) 4.326 2.395 ( -1.045 -0.197 0.438) 1.150 3.384 ( -8.279 13.358 -0.216) 15.717 3.694 ( 5.846 -8.789 0.218) 10.558 5.986 ( -1.132 -0.221 0.048) 1.155 6.092 ( -1.435 3.086 1.043) 3.559 6.237 ( 4.310 -2.693 -1.758) 5.378 6.798 ( -2.874 5.677 1.454) 6.527 6.894 ( -1.033 -0.901 -1.010) 1.703 7.777 ( 2.509 -2.826 -0.144) 3.781 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -7.055 0.000 0.000) 7.055 1.908 ( 0.089 -0.000 -0.000) 0.089 1.974 ( 2.193 -0.000 -0.000) 2.193 2.380 ( -0.704 0.000 0.000) 0.704 3.208 ( -15.138 0.000 0.000) 15.138 3.779 ( 4.698 -0.000 -0.000) 4.698 5.948 ( -2.363 0.000 0.000) 2.363 6.056 ( -4.240 0.000 0.000) 4.240 6.331 ( 6.345 -0.000 -0.000) 6.345 6.793 ( -5.509 0.000 0.000) 5.509 6.832 ( 0.337 -0.000 -0.000) 0.337 7.832 ( 4.761 -0.000 -0.000) 4.761 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -0.000 0.762 -1.527) 1.707 1.902 ( -0.000 6.520 -0.033) 6.520 1.970 ( -0.000 -1.283 -7.409) 7.519 2.208 ( -0.000 10.386 0.429) 10.395 2.524 ( 0.000 -4.611 3.062) 5.535 3.665 ( 0.000 17.696 2.276) 17.842 5.636 ( -0.000 5.441 -0.726) 5.490 6.043 ( -0.000 2.061 -2.332) 3.112 6.173 ( 0.000 2.245 0.697) 2.350 6.592 ( -0.000 -5.022 -1.304) 5.188 7.063 ( 0.000 -9.297 -0.532) 9.312 8.181 ( -0.000 -1.747 -0.438) 1.801 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 3.272 1.063 -0.865) 3.547 1.912 ( -0.433 -2.451 -7.382) 7.790 1.952 ( -0.529 4.232 -0.189) 4.269 2.368 ( 5.531 7.569 0.889) 9.416 2.523 ( 3.694 -2.554 3.492) 5.689 3.831 ( 0.024 12.511 1.455) 12.595 5.735 ( 5.827 4.185 -0.623) 7.201 6.028 ( -2.730 2.479 -2.565) 4.492 6.226 ( 2.124 2.477 -0.357) 3.283 6.556 ( 1.484 -4.361 1.187) 4.757 6.965 ( -0.956 -7.130 -1.134) 7.283 8.128 ( -4.112 -1.094 -0.434) 4.277 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 6.005 1.886 0.563) 6.319 1.883 ( 1.345 -1.536 -3.592) 4.132 1.971 ( -0.987 2.495 -0.548) 2.739 2.450 ( -0.568 0.593 2.752) 2.871 2.710 ( 14.738 3.498 0.080) 15.148 3.913 ( -2.519 6.483 0.523) 6.975 5.902 ( 7.272 3.688 0.061) 8.154 6.003 ( -1.783 2.545 -1.545) 3.471 6.263 ( 0.390 0.019 -1.912) 1.951 6.578 ( 5.019 -2.316 1.994) 5.876 6.887 ( -0.857 -3.920 -0.891) 4.110 8.018 ( -6.800 -0.624 -0.551) 6.851 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 6.223 1.824 0.597) 6.512 1.894 ( 1.259 -0.500 -0.595) 1.480 1.966 ( -1.461 0.869 -0.351) 1.736 2.436 ( -1.323 -0.367 1.141) 1.785 3.042 ( 17.526 3.788 -0.009) 17.931 3.869 ( -6.922 1.222 -0.054) 7.030 5.992 ( -0.276 2.313 0.441) 2.371 6.052 ( 4.113 1.952 -0.424) 4.572 6.228 ( -2.060 -2.108 -1.529) 3.320 6.705 ( 9.416 0.019 0.730) 9.444 6.853 ( -0.317 -0.752 -0.090) 0.821 7.882 ( -7.256 -0.691 -0.465) 7.303 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 5.253 -0.000 -0.000) 5.253 1.902 ( 0.056 -0.000 -0.000) 0.056 1.928 ( -3.172 0.000 0.000) 3.172 2.413 ( -1.116 0.000 0.000) 1.116 3.376 ( 16.586 -0.000 -0.000) 16.586 3.702 ( -11.618 0.000 0.000) 11.618 6.001 ( -0.300 0.000 0.000) 0.300 6.133 ( 3.994 -0.000 -0.000) 3.994 6.160 ( -2.980 0.000 0.000) 2.980 6.846 ( -0.435 0.000 0.000) 0.435 6.859 ( 5.856 -0.000 -0.000) 5.856 7.771 ( -3.713 0.000 0.000) 3.713 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -0.000 0.237 -1.353) 1.373 1.851 ( -0.000 -4.041 -7.648) 8.650 1.991 ( -0.000 2.588 -0.155) 2.593 2.377 ( 0.000 5.629 0.359) 5.641 2.493 ( 0.000 -1.470 4.326) 4.569 3.948 ( 0.000 8.875 1.110) 8.944 5.703 ( -0.000 1.920 -0.907) 2.123 6.067 ( -0.000 1.725 -3.830) 4.201 6.237 ( 0.000 2.860 0.843) 2.982 6.515 ( 0.000 -2.780 2.923) 4.034 6.902 ( -0.000 -5.391 -1.698) 5.652 8.155 ( -0.000 -0.673 -0.151) 0.690 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 4.724 0.430 -0.307) 4.754 1.817 ( 2.035 -2.099 -3.673) 4.695 2.004 ( -0.651 1.190 -0.129) 1.363 2.474 ( 0.821 1.947 1.143) 2.403 2.517 ( 7.701 0.160 1.116) 7.783 4.007 ( -1.405 4.130 0.474) 4.388 5.783 ( 7.147 1.116 -0.410) 7.245 6.052 ( -1.794 1.046 -1.980) 2.869 6.266 ( 0.066 1.193 -0.035) 1.196 6.512 ( 1.324 -1.274 2.119) 2.804 6.855 ( -0.012 -2.619 -1.078) 2.832 8.113 ( -4.073 -0.254 -0.120) 4.083 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 6.909 -0.000 -0.000) 6.909 1.850 ( 2.885 -0.000 -0.000) 2.885 1.994 ( -1.135 0.000 0.000) 1.135 2.463 ( -1.477 0.000 0.000) 1.477 2.751 ( 15.992 -0.000 -0.000) 15.992 3.980 ( -4.135 0.000 0.000) 4.135 5.941 ( 8.606 -0.000 -0.000) 8.606 6.024 ( -1.523 0.000 0.000) 1.523 6.256 ( -1.670 0.000 0.000) 1.670 6.563 ( 5.460 -0.000 -0.000) 5.460 6.844 ( 0.329 -0.000 -0.000) 0.329 8.011 ( -7.018 0.000 0.000) 7.018 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 0.000 0.000 0.000) 0.000 1.777 ( 0.000 0.000 0.000) 0.000 2.016 ( 0.000 0.000 0.000) 0.000 2.436 ( 0.000 0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 4.042 ( 0.000 0.000 0.000) 0.000 5.718 ( 0.000 0.000 0.000) 0.000 6.070 ( 0.000 0.000 0.000) 0.000 6.273 ( 0.000 0.000 0.000) 0.000 6.500 ( 0.000 0.000 0.000) 0.000 6.838 ( -0.000 0.000 -0.000) 0.000 8.148 ( 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 0.00e+00 5.20e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.187 ( 0.000 -0.000 20.723) 20.723 0.187 ( 0.000 -0.000 20.723) 20.723 0.372 ( 0.000 -0.000 41.190) 41.190 1.665 ( -0.000 0.000 -1.809) 1.809 1.665 ( -0.000 0.000 -1.809) 1.809 3.569 ( -0.000 0.000 -5.463) 5.463 5.021 ( 0.000 -0.000 0.605) 0.605 5.021 ( 0.000 -0.000 0.605) 0.605 6.347 ( -0.000 0.000 -0.327) 0.327 6.347 ( -0.000 0.000 -0.327) 0.327 8.120 ( 0.000 -0.000 0.902) 0.902 8.445 ( -0.000 0.000 -0.293) 0.293 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( 13.821 7.980 4.219) 16.508 0.449 ( 11.256 6.499 13.648) 18.847 0.980 ( 28.447 16.424 21.116) 39.049 1.688 ( 1.894 1.094 -1.130) 2.462 1.736 ( 6.779 3.914 -3.728) 8.670 3.072 ( -5.880 -3.395 3.020) 7.431 5.055 ( 2.646 1.528 0.803) 3.159 6.296 ( -3.178 -1.835 -1.709) 4.048 6.325 ( -1.688 -0.975 -0.361) 1.982 6.507 ( 26.378 15.230 -43.547) 53.142 8.028 ( -9.362 -5.405 5.826) 12.280 8.315 ( -1.768 -1.021 1.346) 2.445 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 14.739 8.510 -0.810) 17.038 0.773 ( 13.490 7.788 2.811) 15.828 1.597 ( 16.114 9.303 11.775) 22.020 1.751 ( 3.732 2.154 -0.321) 4.321 2.019 ( 20.141 11.628 -2.525) 23.393 2.987 ( -2.187 -1.263 -2.186) 3.340 5.149 ( 5.098 2.944 0.726) 5.932 6.179 ( -5.790 -3.343 -1.210) 6.794 6.272 ( -2.562 -1.479 -0.316) 2.975 6.798 ( 9.916 5.725 -15.219) 19.045 7.786 ( -11.986 -6.920 6.010) 15.089 8.275 ( -2.228 -1.286 -3.974) 4.733 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 11.997 6.926 -2.381) 14.056 1.090 ( 13.296 7.677 -3.403) 15.726 1.850 ( 6.255 3.611 2.411) 7.614 1.868 ( 6.225 3.594 0.484) 7.204 2.556 ( 20.208 11.667 -1.690) 23.396 2.976 ( 3.311 1.911 2.301) 4.462 5.295 ( 6.961 4.019 0.353) 8.046 6.035 ( -5.534 -3.195 -2.048) 6.710 6.212 ( -2.198 -1.269 -0.124) 2.541 6.939 ( 4.750 2.742 -5.583) 7.826 7.506 ( -13.062 -7.541 4.404) 15.712 8.188 ( -3.581 -2.067 -5.124) 6.584 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 7.720 4.457 -2.665) 9.304 1.379 ( 12.413 7.167 -6.379) 15.689 1.959 ( 3.188 1.841 -0.471) 3.711 2.043 ( 8.164 4.714 0.821) 9.463 2.757 ( 0.163 0.094 -1.569) 1.580 3.276 ( 17.188 9.924 4.815) 20.423 5.469 ( 7.361 4.250 -0.235) 8.503 5.928 ( -2.459 -1.420 -2.903) 4.061 6.176 ( -0.773 -0.446 0.264) 0.931 6.988 ( 0.441 0.255 -1.902) 1.969 7.196 ( -13.920 -8.037 1.916) 16.188 8.101 ( -2.130 -1.230 -3.800) 4.527 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 4.332 2.501 -2.138) 5.439 1.638 ( 11.223 6.479 -6.916) 14.689 2.014 ( 2.002 1.156 -1.188) 2.599 2.236 ( 7.431 4.290 0.644) 8.605 2.691 ( -5.260 -3.037 2.568) 6.594 3.648 ( 12.535 7.237 2.234) 14.646 5.625 ( 5.730 3.308 -0.826) 6.668 5.917 ( 2.415 1.394 -3.218) 4.258 6.179 ( 0.879 0.507 0.748) 1.261 6.863 ( -14.202 -8.199 2.350) 16.566 6.967 ( -1.548 -0.894 -3.032) 3.520 8.071 ( 0.032 0.019 -1.454) 1.455 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 2.132 1.231 -1.343) 2.804 1.857 ( 8.290 4.786 -5.504) 11.042 2.063 ( 3.173 1.832 -2.295) 4.324 2.379 ( 4.237 2.446 0.356) 4.906 2.538 ( -8.147 -4.704 4.316) 10.350 3.872 ( 6.043 3.489 1.252) 7.089 5.726 ( 2.992 1.728 -0.989) 3.594 6.021 ( 7.040 4.065 -2.896) 8.630 6.211 ( 1.198 0.692 0.926) 1.665 6.546 ( -12.686 -7.324 1.508) 14.726 6.926 ( -1.084 -0.626 -1.443) 1.910 8.080 ( 0.642 0.371 0.033) 0.742 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.451 0.261 -0.450) 0.689 1.959 ( 1.324 0.764 -1.164) 1.921 2.166 ( 4.513 2.606 -4.557) 6.923 2.370 ( -5.018 -2.897 3.387) 6.711 2.429 ( -0.129 -0.075 0.083) 0.171 3.945 ( -0.169 -0.098 1.164) 1.180 5.762 ( 0.341 0.197 -0.555) 0.680 6.203 ( 4.946 2.856 -2.287) 6.152 6.226 ( -0.301 -0.174 0.586) 0.682 6.305 ( -4.330 -2.500 2.599) 5.635 6.915 ( 0.440 0.254 -0.573) 0.766 8.092 ( 0.167 0.096 0.735) 0.760 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -1.180 -0.681 0.644) 1.507 1.930 ( -4.209 -2.430 2.351) 5.399 2.117 ( -4.994 -2.883 3.004) 6.502 2.372 ( -4.547 -2.625 -0.272) 5.257 2.442 ( 8.130 4.694 -5.653) 10.958 3.867 ( -6.808 -3.931 0.772) 7.899 5.737 ( -2.541 -1.467 0.154) 2.938 6.082 ( -6.402 -3.696 3.487) 8.173 6.201 ( -1.606 -0.927 -0.035) 1.855 6.506 ( 12.115 6.995 -2.728) 14.253 6.946 ( 2.264 1.307 0.587) 2.680 8.096 ( 0.045 0.026 1.618) 1.619 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -3.279 -1.893 2.192) 4.375 1.773 ( -9.680 -5.589 7.077) 13.229 2.037 ( -2.911 -1.681 1.479) 3.672 2.221 ( -7.849 -4.532 -0.900) 9.108 2.619 ( 7.753 4.476 -5.218) 10.362 3.620 ( -14.271 -8.239 -0.645) 16.491 5.639 ( -5.821 -3.361 0.618) 6.750 5.985 ( -2.622 -1.514 3.971) 4.994 6.167 ( -0.832 -0.480 -0.494) 1.080 6.772 ( 10.564 6.099 -6.366) 13.759 7.032 ( 4.937 2.851 2.893) 6.393 8.115 ( 1.270 0.733 3.106) 3.435 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -6.821 -3.938 4.473) 9.058 1.533 ( -12.691 -7.327 9.580) 17.507 1.954 ( -4.809 -2.777 -0.803) 5.611 2.017 ( -8.465 -4.887 -1.980) 9.973 2.767 ( 5.281 3.049 -1.131) 6.202 3.194 ( -20.738 -11.973 -3.317) 24.175 5.476 ( -7.763 -4.482 0.555) 8.981 5.984 ( 1.600 0.924 3.001) 3.524 6.168 ( 1.047 0.605 -0.526) 1.319 6.922 ( 3.894 2.248 -7.449) 8.700 7.218 ( 9.762 5.636 2.791) 11.613 8.179 ( 3.105 1.793 4.165) 5.496 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -11.943 -6.895 7.072) 15.498 1.232 ( -15.398 -8.890 10.593) 20.696 1.782 ( -9.799 -5.657 -3.947) 11.984 1.836 ( -5.816 -3.358 -2.954) 7.337 2.594 ( -24.361 -14.065 1.841) 28.190 2.916 ( 3.580 2.067 -3.903) 5.685 5.295 ( -7.341 -4.238 0.290) 8.481 6.068 ( 4.596 2.654 1.395) 5.487 6.210 ( 2.434 1.405 -0.386) 2.837 6.940 ( -0.176 -0.101 -5.464) 5.468 7.475 ( 11.088 6.402 1.134) 12.854 8.271 ( 3.223 1.861 3.444) 5.071 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -15.621 -9.019 9.340) 20.312 0.876 ( -17.301 -9.988 11.131) 22.869 1.412 ( -21.603 -12.473 -6.009) 25.659 1.727 ( -2.836 -1.637 -2.934) 4.397 2.061 ( -18.228 -10.524 1.400) 21.094 2.994 ( 2.967 1.713 -1.124) 3.606 5.144 ( -5.302 -3.061 0.172) 6.124 6.191 ( 5.251 3.032 0.004) 6.063 6.272 ( 2.703 1.561 -0.291) 3.135 6.893 ( -2.309 -1.333 -6.809) 7.312 7.739 ( 10.810 6.241 1.817) 12.614 8.330 ( 0.823 0.475 1.479) 1.758 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 0.000 22.421 5.404) 23.063 0.605 ( 0.000 17.156 15.537) 23.146 0.913 ( 0.000 23.552 25.449) 34.675 1.646 ( -0.000 0.572 -4.293) 4.331 1.760 ( -0.000 9.567 -1.820) 9.738 3.081 ( 0.000 -8.822 2.281) 9.112 5.056 ( 0.000 3.022 0.832) 3.134 6.255 ( -0.000 7.521 -15.507) 17.234 6.322 ( -0.000 -2.054 -0.546) 2.125 6.398 ( -0.000 24.720 -29.275) 38.316 8.042 ( 0.000 -10.286 4.946) 11.413 8.335 ( 0.000 -1.810 1.378) 2.275 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -2.933 15.917 15.262) 22.246 0.831 ( 3.449 21.980 0.562) 22.256 1.445 ( 17.953 15.460 15.809) 28.482 1.686 ( 4.543 1.486 -3.984) 6.223 1.928 ( 6.559 16.682 -2.194) 18.059 2.989 ( -1.691 -3.852 -3.115) 5.234 5.121 ( 2.658 4.513 0.960) 5.325 6.212 ( -2.765 -4.849 -1.452) 5.768 6.284 ( -1.104 -2.346 -0.566) 2.654 6.641 ( 9.493 12.887 -21.932) 27.151 7.878 ( -6.498 -11.778 6.112) 14.775 8.302 ( -2.488 -0.204 -2.581) 3.590 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 4.685 11.730 8.502) 15.226 1.110 ( 4.438 19.046 -3.183) 19.813 1.761 ( 7.179 3.136 0.632) 7.859 1.827 ( 6.058 6.180 2.489) 9.005 2.366 ( 17.647 20.215 -0.279) 26.836 2.944 ( 1.337 -1.073 -1.546) 2.308 5.245 ( 4.795 6.014 0.896) 7.743 6.085 ( -4.937 -4.655 -1.611) 6.974 6.237 ( -1.717 -1.394 -0.422) 2.252 6.831 ( 7.729 4.096 -10.400) 13.590 7.633 ( -9.697 -10.939 5.509) 15.622 8.221 ( -4.150 -1.627 -4.479) 6.319 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 7.054 7.759 2.775) 10.847 1.351 ( 4.461 15.144 -5.064) 16.580 1.899 ( 5.278 1.851 -0.866) 5.659 1.995 ( 5.387 7.831 1.041) 9.562 2.722 ( 4.970 4.621 -3.989) 7.872 3.117 ( 14.065 10.384 5.027) 18.191 5.412 ( 5.837 7.178 0.559) 9.269 5.956 ( -3.925 -3.015 -2.265) 5.443 6.200 ( -1.522 0.409 -0.318) 1.607 6.934 ( 4.261 -0.259 -5.577) 7.023 7.349 ( -11.983 -9.892 4.235) 16.105 8.115 ( -3.299 -2.368 -4.128) 5.791 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 5.307 5.285 0.043) 7.490 1.558 ( 5.735 11.397 -5.560) 13.917 1.976 ( 2.879 0.504 -1.254) 3.181 2.191 ( 5.875 8.960 0.870) 10.750 2.739 ( -1.938 -1.157 0.050) 2.258 3.509 ( 13.719 10.060 2.873) 17.253 5.587 ( 4.934 7.448 -0.020) 8.934 5.891 ( -0.091 -0.424 -2.575) 2.611 6.194 ( -0.577 2.094 -0.040) 2.173 6.945 ( 0.306 -2.834 -5.814) 6.475 7.040 ( -13.058 -7.831 4.400) 15.850 8.050 ( -0.122 -2.282 -2.047) 3.067 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 2.161 4.167 -0.766) 4.756 1.757 ( 7.179 7.752 -5.259) 11.802 2.020 ( 2.543 0.288 -1.371) 2.904 2.364 ( 3.416 6.950 1.067) 7.817 2.653 ( -6.413 -1.059 2.053) 6.816 3.791 ( 8.440 5.250 1.567) 10.062 5.724 ( 2.256 6.771 -0.577) 7.160 5.935 ( 4.808 1.921 -2.326) 5.676 6.218 ( 0.245 2.718 0.267) 2.742 6.711 ( -12.995 -6.767 0.014) 14.651 6.928 ( -0.889 -1.534 -1.121) 2.098 8.044 ( 2.029 -2.293 -0.230) 3.070 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -0.021 3.213 -0.624) 3.273 1.911 ( 4.617 2.650 -3.298) 6.262 2.081 ( 4.496 1.358 -3.301) 5.740 2.420 ( -2.325 -1.686 2.962) 4.126 2.549 ( -6.896 6.920 0.681) 9.793 3.928 ( 3.052 0.987 1.461) 3.524 5.799 ( -0.827 5.662 -0.641) 5.758 6.067 ( 7.652 1.074 -1.681) 7.908 6.253 ( 0.599 3.342 -0.144) 3.399 6.444 ( -11.032 -3.248 2.001) 11.673 6.906 ( 0.076 -0.467 -1.095) 1.193 8.060 ( 2.190 -2.592 0.621) 3.450 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -1.631 1.923 0.003) 2.521 1.950 ( 0.021 -1.141 -0.113) 1.147 2.137 ( 0.678 -2.724 -1.910) 3.395 2.357 ( -0.389 -0.078 0.523) 0.656 2.526 ( -6.338 9.052 -0.854) 11.083 3.928 ( -2.946 -2.335 1.452) 4.030 5.807 ( -3.717 3.841 -0.165) 5.348 6.106 ( -1.074 -5.744 0.855) 5.905 6.279 ( -5.635 1.722 1.210) 6.015 6.392 ( 7.786 7.542 -1.039) 10.890 6.917 ( 1.668 0.218 -0.375) 1.723 8.070 ( 1.809 -2.742 1.240) 3.511 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -3.166 -0.235 1.143) 3.375 1.887 ( -5.407 -2.980 3.171) 6.940 2.070 ( -2.607 -2.951 1.595) 4.249 2.329 ( -5.622 -0.896 -0.888) 5.762 2.556 ( 1.981 8.198 -4.279) 9.457 3.776 ( -10.507 -5.154 0.680) 11.723 5.740 ( -6.720 1.065 0.418) 6.816 6.013 ( -2.485 -4.213 2.745) 5.609 6.220 ( -3.960 2.347 0.519) 4.632 6.638 ( 10.402 7.565 -4.384) 13.589 6.971 ( 4.140 0.457 1.208) 4.337 8.084 ( 2.390 -2.129 2.222) 3.897 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -5.371 -4.011 3.245) 7.447 1.733 ( -10.087 -1.930 5.890) 11.839 1.998 ( -3.384 -2.595 -0.037) 4.265 2.159 ( -10.908 -1.165 -0.750) 10.995 2.690 ( 5.963 4.767 -3.613) 8.446 3.449 ( -19.063 -7.522 -0.693) 20.505 5.597 ( -9.086 -1.473 0.615) 9.226 5.972 ( 0.465 -1.555 2.619) 3.081 6.191 ( -2.101 2.635 -0.096) 3.372 6.842 ( 6.361 4.817 -7.539) 10.978 7.098 ( 8.761 1.614 3.178) 9.458 8.133 ( 3.992 -0.776 3.026) 5.068 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -9.348 -8.796 6.117) 14.219 1.531 ( -14.210 0.338 6.133) 15.480 1.874 ( -7.011 -3.393 -2.547) 8.194 1.951 ( -10.187 -0.863 -0.962) 10.268 2.825 ( 4.666 2.884 0.200) 5.489 2.958 ( -25.095 -8.432 -3.067) 26.651 5.411 ( -9.382 -2.306 0.511) 9.674 6.013 ( 3.821 0.405 1.346) 4.071 6.200 ( 0.269 2.154 -0.287) 2.189 6.917 ( 1.517 1.695 -6.490) 6.877 7.320 ( 12.015 2.852 2.186) 12.541 8.220 ( 4.795 0.063 2.370) 5.350 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -13.365 -10.726 8.228) 19.010 1.254 ( -18.902 -0.979 3.321) 19.217 1.659 ( -14.127 -2.216 -0.236) 14.302 1.793 ( -6.531 0.369 -2.124) 6.877 2.387 ( -27.365 -5.892 0.061) 27.992 2.938 ( 4.470 1.396 -1.684) 4.976 5.237 ( -7.774 -1.543 0.422) 7.937 6.111 ( 5.877 0.884 0.007) 5.943 6.238 ( 2.114 1.132 -0.295) 2.416 6.908 ( -1.778 0.866 -6.556) 6.848 7.576 ( 12.811 2.234 2.433) 13.230 8.298 ( 3.344 -0.457 0.253) 3.384 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.000 20.254 4.098) 20.664 1.030 ( 0.000 15.574 12.321) 19.858 1.486 ( 0.000 18.303 14.202) 23.167 1.644 ( -0.000 2.733 -6.412) 6.970 2.062 ( -0.000 21.559 -1.089) 21.587 2.946 ( -0.000 -4.680 -4.483) 6.481 5.155 ( 0.000 6.110 0.924) 6.180 6.179 ( -0.000 -4.881 -1.180) 5.021 6.262 ( -0.000 -3.182 -0.663) 3.250 6.632 ( -0.000 11.805 -18.063) 21.578 7.816 ( 0.000 -13.902 5.303) 14.879 8.318 ( -0.000 -0.546 -2.661) 2.716 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -4.990 13.805 12.393) 19.211 1.258 ( 1.257 19.061 -1.062) 19.132 1.689 ( 4.306 4.921 -2.134) 6.878 1.784 ( 7.790 8.903 4.813) 12.771 2.372 ( 7.705 24.796 -1.386) 26.002 2.896 ( 1.097 -2.431 -2.840) 3.896 5.251 ( 2.679 7.531 1.045) 8.062 6.101 ( -2.858 -4.924 -1.005) 5.781 6.230 ( 0.105 -2.403 -0.567) 2.471 6.727 ( 4.890 5.215 -11.629) 13.651 7.647 ( -4.411 -13.521 4.746) 14.994 8.266 ( -3.514 -1.448 -3.515) 5.177 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -1.220 10.931 8.295) 13.776 1.452 ( 1.243 15.882 -3.982) 16.421 1.825 ( 5.396 3.997 -1.287) 6.837 1.990 ( 5.618 8.398 1.604) 10.230 2.679 ( 4.683 7.383 -6.001) 10.605 3.025 ( 10.478 12.057 4.613) 16.627 5.406 ( 4.631 8.899 1.228) 10.107 5.987 ( -4.012 -3.546 -1.630) 5.597 6.216 ( 0.075 -0.176 -0.775) 0.798 6.819 ( 5.413 -0.340 -7.103) 8.938 7.424 ( -7.419 -11.994 4.208) 14.718 8.154 ( -5.104 -2.366 -3.808) 6.794 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 1.661 8.532 4.697) 9.880 1.606 ( 1.618 12.331 -4.709) 13.298 1.921 ( 3.237 0.923 -1.188) 3.570 2.197 ( 5.801 10.733 1.207) 12.260 2.735 ( 1.380 0.080 -2.160) 2.564 3.401 ( 12.269 13.376 2.846) 18.373 5.592 ( 4.833 9.612 1.151) 10.820 5.897 ( -2.250 -1.199 -1.909) 3.185 6.225 ( -0.034 2.290 -1.221) 2.596 6.860 ( 3.400 -3.437 -5.531) 7.346 7.172 ( -9.727 -9.383 3.859) 14.055 8.039 ( -3.068 -3.037 -2.795) 5.143 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 1.468 7.028 2.252) 7.525 1.743 ( 2.992 9.101 -3.803) 10.308 1.969 ( 2.648 -0.383 -1.249) 2.953 2.386 ( 3.383 7.481 1.917) 8.431 2.743 ( -1.688 3.273 -0.111) 3.684 3.701 ( 8.789 7.019 1.243) 11.316 5.762 ( 2.946 8.839 0.717) 9.344 5.887 ( 1.727 1.405 -1.587) 2.735 6.250 ( -0.096 3.426 -1.504) 3.743 6.812 ( -4.181 -5.420 -4.237) 8.050 6.952 ( -5.803 -3.851 2.935) 7.558 7.979 ( 0.819 -3.792 -1.112) 4.035 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -0.536 5.941 0.707) 6.007 1.865 ( 3.267 4.601 -2.637) 6.229 2.013 ( 3.380 -0.004 -1.644) 3.759 2.447 ( -1.099 -0.953 2.748) 3.109 2.760 ( -5.054 11.923 -0.417) 12.956 3.868 ( 5.215 1.134 1.076) 5.445 5.876 ( 0.463 7.355 0.366) 7.379 5.965 ( 4.725 1.902 -1.060) 5.202 6.278 ( 0.148 2.862 -1.724) 3.345 6.612 ( -10.216 -2.258 0.773) 10.491 6.899 ( -0.314 -0.567 -0.704) 0.957 7.973 ( 3.118 -4.546 0.043) 5.513 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -2.490 4.600 0.336) 5.242 1.924 ( 1.547 0.087 -1.103) 1.902 2.068 ( 3.105 -0.974 -2.805) 4.296 2.390 ( -2.788 -1.780 2.358) 4.062 2.778 ( -8.330 13.889 -0.712) 16.211 3.923 ( 1.410 -2.447 1.412) 3.157 5.922 ( -3.040 5.464 0.279) 6.259 6.044 ( 2.810 -2.082 -0.032) 3.498 6.320 ( 2.595 2.395 -2.504) 4.329 6.465 ( -7.033 5.022 2.681) 9.048 6.897 ( 0.450 0.086 -0.979) 1.081 7.985 ( 3.463 -4.831 0.675) 5.982 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -4.332 2.207 0.687) 4.910 1.921 ( -0.946 -1.501 0.478) 1.838 2.063 ( -0.072 -3.242 -1.094) 3.422 2.361 ( -0.570 0.308 0.119) 0.659 2.739 ( -9.783 11.179 -1.237) 14.907 3.870 ( -4.486 -3.864 1.179) 6.037 5.883 ( -6.088 2.617 0.662) 6.660 6.011 ( -1.832 -3.843 0.969) 4.367 6.333 ( -3.697 2.951 0.142) 4.733 6.548 ( 6.379 8.435 -1.618) 10.699 6.913 ( 2.187 -0.687 -0.123) 2.296 8.003 ( 3.597 -4.181 1.212) 5.647 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -6.164 -1.187 1.788) 6.527 1.860 ( -4.759 -1.164 1.942) 5.270 2.017 ( -1.608 -2.354 -0.607) 2.914 2.320 ( -5.982 0.118 0.128) 5.984 2.697 ( -3.210 6.677 -2.193) 7.727 3.680 ( -12.928 -4.104 0.453) 13.572 5.762 ( -9.416 0.424 0.746) 9.455 5.954 ( -0.467 -2.653 1.197) 2.948 6.288 ( -4.744 3.407 0.185) 5.844 6.755 ( 7.729 6.798 -5.319) 11.586 6.972 ( 5.987 -1.555 2.355) 6.619 8.044 ( 4.668 -2.642 1.428) 5.551 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -8.769 -3.741 3.203) 10.057 1.740 ( -8.647 -0.736 1.352) 8.783 1.944 ( -4.188 -1.329 -1.750) 4.730 2.153 ( -11.928 0.209 0.892) 11.963 2.755 ( 4.044 2.728 -2.026) 5.282 3.333 ( -21.854 -2.989 0.529) 22.064 5.579 ( -10.824 -0.700 0.670) 10.867 5.955 ( 2.354 -1.039 0.310) 2.592 6.245 ( -2.954 1.791 -0.204) 3.461 6.887 ( 2.962 3.742 -5.459) 7.251 7.129 ( 11.577 -0.434 2.927) 11.949 8.121 ( 5.759 -1.379 0.503) 5.943 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -12.363 -3.170 3.755) 13.304 1.521 ( -14.179 -3.368 -2.745) 14.830 1.840 ( -7.034 1.617 -0.176) 7.220 1.954 ( -10.554 0.567 1.482) 10.672 2.800 ( -10.025 -1.875 -7.119) 12.438 2.924 ( -12.935 3.119 6.405) 14.767 5.388 ( -9.921 -0.193 0.571) 9.940 6.012 ( 4.901 -0.694 -0.834) 5.020 6.226 ( -0.117 0.070 -0.242) 0.278 6.928 ( -0.092 2.606 -3.897) 4.689 7.358 ( 13.319 -0.694 2.469) 13.564 8.207 ( 5.299 -1.434 -1.646) 5.731 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 0.000 7.711 6.323) 9.972 1.422 ( 0.000 16.659 1.555) 16.732 1.722 ( -0.000 9.576 -4.567) 10.609 1.814 ( 0.000 8.808 6.430) 10.905 2.548 ( -0.000 20.632 -5.261) 21.292 2.867 ( 0.000 2.831 1.088) 3.033 5.311 ( 0.000 8.427 0.722) 8.457 6.080 ( -0.000 -3.911 -0.527) 3.946 6.195 ( -0.000 -2.779 -0.536) 2.830 6.698 ( -0.000 3.066 -9.359) 9.849 7.554 ( 0.000 -14.087 3.595) 14.538 8.274 ( -0.000 -1.812 -3.143) 3.628 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -1.931 5.614 3.854) 7.078 1.586 ( 0.227 13.879 -1.733) 13.989 1.822 ( 0.803 8.516 -0.187) 8.556 1.973 ( 6.098 8.062 1.194) 10.179 2.654 ( 1.836 1.589 -6.852) 7.270 3.054 ( 5.552 19.799 5.255) 21.223 5.432 ( 3.208 9.119 0.773) 9.697 6.014 ( -3.010 -2.596 -1.174) 4.145 6.188 ( 1.701 -1.149 -0.558) 2.127 6.716 ( 2.935 -0.728 -6.246) 6.940 7.395 ( -3.000 -13.141 2.764) 13.760 8.208 ( -4.002 -2.120 -3.073) 5.473 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 0.547 5.864 3.481) 6.841 1.704 ( -0.151 11.108 -3.995) 11.806 1.894 ( 1.056 2.479 -0.286) 2.710 2.196 ( 7.165 10.718 0.930) 12.926 2.679 ( 3.341 -1.334 -2.316) 4.278 3.390 ( 7.466 17.586 2.802) 19.309 5.608 ( 5.137 9.659 1.138) 10.999 5.933 ( -3.316 -0.644 -1.602) 3.738 6.221 ( 2.046 1.198 -1.496) 2.804 6.740 ( 3.836 -3.650 -4.038) 6.659 7.206 ( -5.000 -10.982 2.333) 12.291 8.085 ( -5.728 -2.296 -2.758) 6.759 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 1.820 6.474 3.406) 7.538 1.794 ( 0.618 8.469 -3.607) 9.226 1.923 ( 1.432 -0.181 -0.736) 1.620 2.400 ( 3.766 6.273 2.234) 7.650 2.757 ( 4.963 4.322 -0.625) 6.611 3.656 ( 5.627 9.914 0.858) 11.432 5.795 ( 4.094 8.787 1.270) 9.777 5.893 ( -0.879 1.844 -1.196) 2.368 6.265 ( 1.282 2.220 -2.819) 3.810 6.753 ( 2.977 -3.634 -2.754) 5.445 7.019 ( -5.787 -7.329 2.277) 9.612 7.962 ( -3.857 -2.901 -1.944) 5.203 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.340 6.689 2.156) 7.036 1.874 ( 0.833 4.945 -1.411) 5.209 1.949 ( 2.808 -0.662 -1.137) 3.101 2.456 ( -0.302 -1.047 2.344) 2.585 2.926 ( 2.422 13.521 -0.390) 13.742 3.795 ( 3.616 1.529 0.214) 3.932 5.904 ( 2.071 3.806 0.393) 4.351 5.955 ( 1.695 5.863 0.225) 6.107 6.284 ( 0.356 0.384 -3.425) 3.465 6.734 ( -3.411 0.140 -0.445) 3.443 6.901 ( -1.470 -2.244 0.983) 2.857 7.887 ( 0.101 -4.319 -0.930) 4.419 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -2.250 6.267 1.150) 6.757 1.906 ( 0.437 0.676 -0.555) 0.978 1.997 ( 3.068 -1.045 -1.419) 3.538 2.419 ( -1.877 -1.981 1.719) 3.225 3.063 ( -5.152 16.477 -0.555) 17.273 3.840 ( 3.699 -4.510 0.676) 5.872 5.986 ( 2.472 0.782 0.225) 2.603 6.011 ( -0.743 4.871 0.840) 4.999 6.279 ( 1.630 -1.385 -3.064) 3.737 6.665 ( -6.860 6.154 1.960) 9.422 6.894 ( 0.117 0.269 -0.978) 1.021 7.868 ( 3.243 -5.371 -0.112) 6.275 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -5.095 4.084 0.904) 6.592 1.913 ( 0.373 -0.514 -0.201) 0.666 2.012 ( 1.622 -2.793 -1.452) 3.541 2.382 ( -1.249 -0.266 1.059) 1.659 3.058 ( -11.900 12.495 -0.658) 17.268 3.849 ( 2.315 -4.976 0.883) 5.558 5.968 ( -2.247 -1.255 0.331) 2.594 6.039 ( -2.546 1.589 1.016) 3.168 6.324 ( 4.836 0.350 -2.404) 5.411 6.646 ( -4.860 9.537 1.822) 10.858 6.883 ( -0.126 -1.326 -1.153) 1.761 7.886 ( 4.457 -4.620 0.316) 6.427 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -7.083 0.562 1.073) 7.186 1.903 ( -1.160 -0.506 0.348) 1.313 2.003 ( 0.401 -1.561 -1.394) 2.131 2.371 ( -0.759 0.296 0.956) 1.256 2.918 ( -12.957 5.638 -0.542) 14.141 3.802 ( -4.199 -2.546 0.394) 4.926 5.905 ( -4.553 -0.536 0.651) 4.630 5.968 ( -4.505 -0.897 0.353) 4.607 6.381 ( -0.756 1.622 -1.425) 2.288 6.709 ( 2.622 7.184 -0.973) 7.709 6.877 ( 2.579 -2.904 0.641) 3.936 7.932 ( 4.882 -2.541 0.156) 5.506 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -8.143 -1.001 1.332) 8.312 1.847 ( -4.814 -1.078 -0.416) 4.951 1.981 ( -1.442 0.145 -2.129) 2.576 2.331 ( -6.078 0.239 1.790) 6.341 2.772 ( -5.120 0.901 -0.306) 5.208 3.636 ( -13.263 -0.059 0.416) 13.269 5.766 ( -10.041 -0.371 0.570) 10.064 5.922 ( -0.063 -0.633 -0.588) 0.867 6.324 ( -4.705 -0.204 -1.047) 4.824 6.855 ( 4.993 5.610 -4.337) 8.672 6.933 ( 8.089 -4.181 3.965) 9.932 8.006 ( 5.378 -0.823 -0.840) 5.505 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -9.626 0.400 0.744) 9.663 1.690 ( -10.182 -2.920 -4.056) 11.342 1.946 ( -3.160 2.002 -1.197) 3.928 2.165 ( -11.751 0.047 1.844) 11.895 2.765 ( 2.626 -0.684 -0.825) 2.837 3.351 ( -20.439 3.671 2.321) 20.895 5.576 ( -10.744 0.134 0.436) 10.754 5.934 ( 2.289 -0.469 -1.854) 2.983 6.241 ( -2.661 -1.741 -0.560) 3.229 6.935 ( 1.569 2.742 -1.412) 3.461 7.109 ( 13.153 -3.062 1.845) 13.630 8.091 ( 5.243 -0.628 -2.601) 5.886 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -0.000 1.634 -0.987) 1.909 1.712 ( -0.000 11.610 -1.426) 11.698 1.945 ( -0.000 2.457 -1.200) 2.735 1.963 ( -0.000 13.261 0.204) 13.262 2.612 ( -0.000 -2.532 -2.875) 3.831 3.248 ( 0.000 22.884 4.378) 23.300 5.490 ( -0.000 8.320 -0.003) 8.320 6.023 ( -0.000 -0.963 -1.821) 2.060 6.156 ( 0.000 -0.565 0.053) 0.568 6.663 ( -0.000 -2.101 -3.858) 4.393 7.292 ( 0.000 -12.814 1.347) 12.885 8.216 ( -0.000 -1.939 -2.503) 3.166 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 1.924 1.916 -0.868) 2.850 1.803 ( -0.671 8.754 -4.283) 9.769 1.924 ( -1.458 1.181 -1.466) 2.381 2.174 ( 7.222 10.929 0.167) 13.101 2.599 ( 2.128 -3.037 1.174) 3.890 3.506 ( 2.439 19.383 2.709) 19.723 5.611 ( 4.448 7.655 -0.072) 8.853 5.984 ( -2.828 0.594 -2.414) 3.765 6.184 ( 2.392 1.120 -0.442) 2.678 6.643 ( 1.801 -3.608 -1.442) 4.282 7.153 ( -1.794 -11.223 0.435) 11.374 8.152 ( -4.208 -1.594 -2.122) 4.975 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 4.319 3.190 0.929) 5.449 1.851 ( 0.226 5.254 -5.890) 7.896 1.919 ( -0.488 1.036 0.739) 1.363 2.397 ( 4.796 6.773 1.808) 8.494 2.659 ( 7.722 0.549 1.013) 7.808 3.716 ( 1.482 12.746 0.988) 12.870 5.790 ( 6.329 7.223 0.343) 9.610 5.941 ( -2.437 2.300 -1.899) 3.852 6.240 ( 2.247 1.449 -2.083) 3.389 6.647 ( 3.514 -3.682 0.177) 5.093 7.012 ( -2.537 -8.416 0.184) 8.792 8.034 ( -6.402 -1.274 -1.760) 6.761 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 4.269 4.198 1.530) 6.180 1.895 ( 2.127 1.679 -2.783) 3.885 1.923 ( -1.075 2.059 0.422) 2.360 2.458 ( -0.358 -0.614 2.261) 2.370 2.906 ( 12.432 8.598 0.058) 15.116 3.809 ( -1.545 4.902 -0.125) 5.142 5.924 ( 0.498 3.920 -0.036) 3.952 5.973 ( 3.139 5.314 -0.097) 6.172 6.260 ( 0.360 -0.929 -3.057) 3.216 6.708 ( 5.458 -0.312 0.530) 5.492 6.904 ( -1.996 -4.492 0.586) 4.951 7.904 ( -5.680 -1.750 -1.308) 6.086 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 1.762 5.199 0.896) 5.562 1.912 ( -0.156 -0.372 0.138) 0.426 1.941 ( 1.095 0.083 -0.675) 1.289 2.431 ( -1.292 -1.628 1.115) 2.359 3.212 ( 8.270 13.051 0.093) 15.451 3.768 ( -3.027 -3.716 -0.272) 4.800 5.974 ( 1.143 2.672 0.553) 2.958 6.059 ( 0.899 4.160 0.352) 4.270 6.226 ( 0.000 -3.385 -2.624) 4.283 6.794 ( 0.002 3.999 0.622) 4.047 6.873 ( 1.947 -0.922 0.274) 2.171 7.803 ( -2.128 -3.056 -0.698) 3.789 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -3.725 4.802 0.834) 6.135 1.905 ( -0.032 -0.178 -0.072) 0.195 1.943 ( 2.281 -3.264 -0.630) 4.031 2.400 ( -1.044 -0.646 0.535) 1.340 3.381 ( -8.476 13.499 -0.249) 15.941 3.697 ( 6.107 -8.947 0.255) 10.835 5.987 ( -1.240 -0.302 0.289) 1.308 6.102 ( -1.618 2.631 1.071) 3.269 6.220 ( 4.698 -1.567 -2.084) 5.374 6.813 ( -2.336 5.128 1.671) 5.878 6.884 ( -1.633 -0.702 -1.222) 2.157 7.776 ( 2.672 -2.738 -0.184) 3.830 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -6.955 -0.563 0.510) 6.997 1.908 ( 0.109 0.026 0.054) 0.125 1.972 ( 1.983 0.537 -0.508) 2.116 2.384 ( -0.500 -0.234 0.737) 0.921 3.208 ( -15.155 0.348 0.068) 15.160 3.778 ( 4.702 -0.415 -0.150) 4.723 5.949 ( -2.411 -0.132 0.387) 2.445 6.055 ( -4.174 -0.627 -0.050) 4.221 6.325 ( 6.040 0.998 -1.383) 6.276 6.790 ( -4.774 -2.967 -0.529) 5.646 6.838 ( -0.248 2.827 1.117) 3.050 7.830 ( 4.699 -0.169 -0.380) 4.718 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -7.200 -1.487 0.502) 7.369 1.897 ( -1.837 -0.100 -0.370) 1.876 1.999 ( -0.313 2.033 -1.653) 2.639 2.383 ( -0.093 -0.057 2.131) 2.134 2.926 ( -12.699 -4.832 0.333) 13.591 3.796 ( -3.938 1.965 -0.268) 4.409 5.898 ( -4.673 -0.147 -0.070) 4.676 5.960 ( -4.683 0.136 -0.463) 4.708 6.372 ( -1.490 -1.369 -2.184) 2.977 6.730 ( 5.263 -5.713 0.973) 7.828 6.874 ( 0.816 2.648 0.439) 2.805 7.920 ( 4.466 1.800 -1.115) 4.942 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -7.149 0.143 -0.177) 7.152 1.812 ( -7.172 -0.579 -3.440) 7.975 1.998 ( -1.347 2.218 -1.886) 3.208 2.345 ( -6.728 -0.152 2.337) 7.124 2.731 ( -2.154 -4.663 1.405) 5.326 3.682 ( -11.855 3.846 0.688) 12.482 5.755 ( -9.258 -0.902 -0.003) 9.302 5.923 ( -1.257 1.531 -2.115) 2.898 6.275 ( -4.104 -3.171 -1.152) 5.313 6.842 ( 11.744 -6.505 2.960) 13.748 6.925 ( 2.285 2.530 -1.888) 3.897 8.010 ( 3.753 1.988 -2.083) 4.730 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -0.000 0.844 -2.201) 2.358 1.859 ( -0.000 3.235 -9.508) 10.043 1.935 ( -0.000 0.853 -0.015) 0.853 2.213 ( 0.000 10.314 0.736) 10.340 2.560 ( 0.000 -2.992 4.564) 5.457 3.685 ( 0.000 17.052 2.000) 17.169 5.629 ( -0.000 5.194 -0.835) 5.261 6.014 ( -0.000 1.565 -4.070) 4.361 6.179 ( 0.000 2.469 0.755) 2.582 6.592 ( 0.000 -3.526 1.154) 3.710 7.056 ( -0.000 -10.021 -0.855) 10.058 8.172 ( -0.000 -1.136 -1.567) 1.935 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 4.019 1.285 -0.979) 4.331 1.838 ( 0.987 -0.683 -8.306) 8.392 1.958 ( -0.637 3.017 0.993) 3.239 2.374 ( 6.171 7.736 0.451) 9.906 2.559 ( 2.300 -2.760 4.205) 5.531 3.842 ( -0.183 12.104 0.861) 12.136 5.729 ( 6.116 4.100 -0.663) 7.393 6.000 ( -1.993 2.459 -3.506) 4.723 6.223 ( 1.220 2.527 -0.134) 2.809 6.572 ( 1.260 -3.364 2.312) 4.272 6.954 ( -0.716 -7.530 -1.195) 7.658 8.120 ( -4.214 -0.605 -1.212) 4.427 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 6.450 1.768 0.286) 6.694 1.851 ( 2.709 -0.111 -3.312) 4.280 1.970 ( -1.177 2.227 0.297) 2.536 2.472 ( -0.605 0.131 1.948) 2.044 2.714 ( 14.274 3.164 0.640) 14.634 3.915 ( -2.728 6.351 -0.083) 6.912 5.901 ( 7.654 3.700 -0.269) 8.505 5.988 ( -1.234 2.845 -1.774) 3.573 6.250 ( -0.252 0.567 -0.990) 1.169 6.595 ( 4.605 -2.428 1.619) 5.452 6.881 ( -0.481 -3.928 -0.509) 3.990 8.012 ( -6.903 -0.223 -0.928) 6.968 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 6.242 1.439 -0.033) 6.406 1.890 ( 1.727 -0.033 -0.202) 1.739 1.965 ( -1.499 1.050 0.160) 1.837 2.444 ( -1.517 -1.170 0.576) 2.000 3.043 ( 17.548 3.733 0.264) 17.942 3.867 ( -6.992 1.334 -0.425) 7.131 5.994 ( -0.201 2.267 0.038) 2.276 6.047 ( 4.523 2.105 -0.695) 5.037 6.219 ( -2.343 -1.080 -0.378) 2.608 6.708 ( 9.091 -0.420 0.003) 9.101 6.854 ( 0.002 -0.803 0.495) 0.943 7.877 ( -7.270 -0.280 -0.504) 7.293 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 5.311 -0.386 -0.393) 5.339 1.903 ( 0.037 -0.060 0.068) 0.098 1.929 ( -3.223 0.146 0.257) 3.237 2.412 ( -1.034 -0.520 -0.226) 1.179 3.376 ( 16.533 -0.240 0.088) 16.535 3.702 ( -11.552 0.344 -0.095) 11.558 5.999 ( -0.195 -0.446 -0.296) 0.570 6.128 ( 3.108 -1.779 -0.907) 3.694 6.168 ( -2.257 3.100 1.442) 4.096 6.845 ( 0.725 0.509 -0.336) 0.947 6.860 ( 4.707 -1.046 0.215) 4.827 7.771 ( -3.713 0.419 0.087) 3.737 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -3.546 -5.421 -0.365) 6.488 1.906 ( 0.068 0.215 0.016) 0.226 1.952 ( 2.402 3.831 0.296) 4.531 2.392 ( -0.805 -0.265 -0.247) 0.882 3.385 ( -8.019 -13.331 0.126) 15.558 3.693 ( 5.501 8.775 -0.126) 10.357 5.986 ( -0.748 0.044 0.067) 0.752 6.084 ( -1.534 -3.266 -0.679) 3.671 6.250 ( 3.601 3.727 1.023) 5.282 6.788 ( -3.287 -6.026 -0.856) 6.918 6.902 ( -0.362 0.823 0.570) 1.064 7.778 ( 2.214 2.991 0.079) 3.722 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -4.860 -4.309 -0.066) 6.495 1.914 ( 0.065 0.700 -0.049) 0.704 2.025 ( 0.933 3.820 -0.137) 3.935 2.378 ( 0.006 -0.739 0.712) 1.026 3.067 ( -11.754 -12.272 0.319) 16.995 3.836 ( 2.160 4.581 -0.455) 5.085 5.969 ( -2.928 1.262 0.524) 3.232 6.019 ( -1.979 -1.960 -1.062) 2.981 6.343 ( 2.915 1.044 -0.595) 3.153 6.628 ( -2.989 -9.930 0.051) 10.371 6.900 ( -0.657 0.971 0.570) 1.303 7.878 ( 3.803 4.537 -0.522) 5.943 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -4.772 -2.257 -0.244) 5.285 1.904 ( -2.961 1.476 -1.557) 3.657 2.049 ( -2.065 3.571 -2.029) 4.597 2.392 ( 1.277 -0.634 2.957) 3.283 2.757 ( -8.654 -10.776 0.677) 13.838 3.858 ( -4.023 3.508 -0.082) 5.338 5.875 ( -6.263 -2.535 -0.219) 6.760 5.989 ( -2.949 3.540 -1.415) 4.820 6.311 ( -4.057 -2.841 -1.824) 5.278 6.586 ( 8.528 -8.369 2.033) 12.120 6.910 ( 0.885 0.770 -0.447) 1.256 7.982 ( 2.810 4.229 -0.962) 5.168 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -0.000 0.729 -1.102) 1.321 1.787 ( -0.000 -1.394 -6.217) 6.372 1.994 ( 0.000 2.195 0.612) 2.279 2.380 ( 0.000 5.468 0.333) 5.478 2.529 ( 0.000 -2.737 3.763) 4.653 3.954 ( -0.000 8.543 0.198) 8.545 5.696 ( -0.000 2.123 -0.572) 2.199 6.033 ( -0.000 2.574 -3.465) 4.316 6.243 ( 0.000 2.681 0.472) 2.722 6.539 ( 0.000 -2.940 2.284) 3.724 6.889 ( -0.000 -5.206 -1.173) 5.337 8.151 ( -0.000 -0.306 -0.854) 0.907 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 4.951 0.690 -0.232) 5.005 1.793 ( 2.455 0.560 -1.559) 2.962 2.006 ( -0.696 1.072 0.457) 1.357 2.479 ( 2.363 1.900 0.144) 3.036 2.530 ( 5.925 -1.510 1.467) 6.288 4.007 ( -1.437 3.953 -0.485) 4.234 5.780 ( 7.163 1.390 -0.169) 7.298 6.037 ( -1.494 2.456 -1.193) 3.112 6.265 ( -0.183 1.210 -0.103) 1.228 6.523 ( 1.245 -2.510 0.286) 2.817 6.850 ( 0.077 -1.997 -0.000) 1.999 8.110 ( -4.092 0.040 -0.641) 4.142 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 6.812 -0.180 -0.491) 6.832 1.856 ( 2.626 1.513 1.327) 3.309 1.996 ( -1.139 0.086 0.614) 1.297 2.459 ( -1.435 -1.227 -0.756) 2.034 2.752 ( 16.004 -0.120 0.340) 16.008 3.977 ( -4.059 -0.003 -0.744) 4.126 5.939 ( 8.343 0.076 -0.389) 8.353 6.026 ( -1.534 1.013 0.552) 1.919 6.258 ( -1.503 0.558 0.548) 1.695 6.557 ( 5.669 -1.024 -1.362) 5.920 6.849 ( 0.256 0.371 0.888) 0.996 8.010 ( -6.957 0.324 -0.312) 6.972 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 6.225 -2.131 -1.031) 6.660 1.900 ( 0.590 0.710 0.705) 1.162 1.972 ( -1.576 -0.601 0.954) 1.938 2.424 ( -1.002 -0.410 -1.545) 1.886 3.043 ( 17.411 -3.857 0.276) 17.835 3.868 ( -6.676 -1.048 -0.325) 6.766 5.986 ( -0.287 -2.296 -0.744) 2.431 6.054 ( 3.582 -1.903 0.049) 4.056 6.246 ( -1.779 3.183 2.474) 4.406 6.696 ( 9.846 -0.240 -1.346) 9.940 6.856 ( -0.710 0.499 0.598) 1.055 7.885 ( -7.111 1.089 0.335) 7.201 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 2.012 -6.075 -1.134) 6.499 1.910 ( -0.062 0.245 -0.142) 0.290 1.957 ( 0.647 1.183 0.988) 1.672 2.406 ( -0.766 0.424 -1.518) 1.753 3.210 ( 8.322 -12.839 -0.136) 15.301 3.774 ( -3.177 3.620 0.338) 4.828 5.961 ( 1.061 -2.496 -0.796) 2.827 6.055 ( 0.657 -4.103 -0.080) 4.156 6.282 ( -0.335 4.783 3.133) 5.727 6.786 ( -1.307 -4.649 -0.148) 4.832 6.861 ( 3.373 0.957 -1.081) 3.669 7.818 ( -2.467 3.503 0.861) 4.371 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -1.604 -6.346 -0.410) 6.559 1.913 ( 0.592 0.179 0.190) 0.648 2.020 ( 3.253 2.125 0.908) 3.990 2.388 ( -1.346 0.456 -1.448) 2.028 3.069 ( -4.824 -16.293 -0.009) 16.992 3.834 ( 3.023 4.166 0.064) 5.147 5.975 ( 2.851 -1.967 -0.792) 3.553 6.011 ( -1.086 -2.923 0.749) 3.206 6.330 ( 0.550 2.176 2.111) 3.081 6.634 ( -7.383 -6.692 -1.151) 10.031 6.903 ( 0.883 -0.266 -0.053) 0.923 7.873 ( 2.391 5.362 0.467) 5.890 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -2.414 -4.182 -0.000) 4.829 1.933 ( 0.592 1.025 -0.000) 1.183 2.099 ( 1.760 3.048 -0.000) 3.519 2.365 ( -0.334 -0.579 0.000) 0.669 2.785 ( -8.120 -14.064 -0.000) 16.240 3.909 ( 1.251 2.166 -0.000) 2.501 5.919 ( -2.975 -5.153 -0.000) 5.951 6.043 ( 1.827 3.164 -0.000) 3.653 6.350 ( -0.361 -0.625 0.000) 0.722 6.434 ( -4.334 -7.506 -0.000) 8.667 6.906 ( 0.061 0.106 -0.000) 0.122 7.979 ( 2.811 4.869 -0.000) 5.622 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 0.000 0.521 0.453) 0.691 1.789 ( 0.000 3.040 2.543) 3.964 2.019 ( 0.000 -0.062 0.618) 0.621 2.436 ( -0.000 -0.140 -0.082) 0.163 2.490 ( -0.000 -1.953 -0.735) 2.086 4.037 ( -0.000 -0.154 -1.056) 1.067 5.720 ( 0.000 0.339 0.467) 0.578 6.076 ( 0.000 1.981 1.254) 2.345 6.271 ( -0.000 -0.293 -0.496) 0.576 6.489 ( -0.000 -1.530 -2.498) 2.929 6.845 ( 0.000 0.740 1.297) 1.493 8.146 ( -0.000 0.215 -0.571) 0.610 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 4.254 -0.156 0.418) 4.277 1.856 ( 1.263 4.040 4.818) 6.413 2.009 ( -0.607 -1.141 1.100) 1.697 2.458 ( -0.384 -2.183 -2.400) 3.267 2.511 ( 9.275 -1.505 -0.342) 9.403 3.999 ( -1.293 -4.231 -1.355) 4.627 5.787 ( 6.920 -0.902 0.582) 7.003 6.072 ( -2.357 -0.172 2.338) 3.325 6.267 ( 0.697 -0.988 0.197) 1.225 6.486 ( 1.646 0.864 -3.514) 3.976 6.868 ( -0.187 2.863 1.735) 3.353 8.112 ( -3.982 0.489 -0.443) 4.037 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 5.427 -1.965 -0.670) 5.810 1.910 ( -0.094 1.667 2.202) 2.764 1.984 ( -0.911 -2.080 2.400) 3.305 2.423 ( -0.327 -1.082 -3.178) 3.373 2.712 ( 14.995 -3.603 0.465) 15.429 3.905 ( -2.186 -6.486 -1.034) 6.922 5.900 ( 6.730 -3.688 -0.371) 7.684 6.015 ( -2.290 -2.600 0.915) 3.584 6.284 ( 1.254 0.409 2.618) 2.932 6.560 ( 5.389 3.081 -1.944) 6.505 6.896 ( -1.240 3.580 1.006) 3.920 8.021 ( -6.556 0.956 0.053) 6.626 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 3.850 -5.304 -1.885) 6.819 1.911 ( -0.260 -0.697 -0.465) 0.877 1.956 ( -0.316 -1.596 3.279) 3.661 2.409 ( 0.252 0.006 -2.826) 2.838 2.909 ( 12.202 -8.416 0.382) 14.828 3.808 ( -0.908 -5.124 -0.217) 5.208 5.918 ( 0.940 -4.103 -0.671) 4.263 5.973 ( 1.808 -5.008 -0.141) 5.326 6.328 ( 1.080 1.149 3.936) 4.240 6.701 ( 6.112 2.431 -0.074) 6.578 6.891 ( -3.239 3.060 -0.791) 4.525 7.925 ( -5.463 2.427 0.914) 6.048 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 1.643 -7.104 -1.293) 7.405 1.893 ( 0.664 -2.461 0.626) 2.624 1.981 ( 2.472 0.394 2.153) 3.302 2.406 ( -0.133 0.422 -2.820) 2.855 2.929 ( 2.372 -13.288 -0.107) 13.498 3.794 ( 3.495 -2.221 0.117) 4.143 5.898 ( 2.013 -4.128 -0.191) 4.596 5.957 ( 2.192 -4.591 0.360) 5.100 6.347 ( -0.193 -1.591 3.255) 3.628 6.736 ( -6.276 1.874 -0.359) 6.559 6.881 ( 1.003 1.666 -1.015) 2.193 7.909 ( -0.597 4.472 1.310) 4.698 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.000 0.037 1.333) 1.334 1.916 ( 0.000 4.702 5.864) 7.516 2.003 ( 0.000 -2.055 3.040) 3.669 2.374 ( 0.000 -5.724 -0.314) 5.733 2.453 ( -0.000 0.563 -4.480) 4.515 3.935 ( -0.000 -9.044 -1.838) 9.229 5.712 ( 0.000 -1.848 1.084) 2.143 6.099 ( 0.000 -1.779 3.308) 3.756 6.229 ( -0.000 -2.913 -1.069) 3.103 6.489 ( -0.000 4.058 -2.691) 4.869 6.918 ( 0.000 5.155 1.779) 5.453 8.153 ( -0.000 0.913 -0.626) 1.107 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 2.564 -1.123 0.501) 2.844 1.934 ( -0.724 -1.592 -0.664) 1.871 1.994 ( -1.469 -0.935 7.037) 7.250 2.357 ( 4.115 -6.984 -1.721) 8.287 2.500 ( 5.743 2.678 -1.424) 6.495 3.816 ( 0.274 -12.688 -1.790) 12.817 5.740 ( 5.413 -4.392 0.453) 6.985 6.044 ( -3.282 -2.858 0.993) 4.464 6.229 ( 3.105 -2.566 0.265) 4.036 6.553 ( 1.605 6.362 0.624) 6.591 6.974 ( -1.192 6.504 0.836) 6.665 8.127 ( -3.909 1.428 -0.480) 4.189 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 2.440 -4.405 -1.751) 5.332 1.887 ( -0.052 -4.466 -1.123) 4.605 1.965 ( -1.355 -2.160 4.709) 5.355 2.352 ( 3.502 -5.397 -2.792) 7.013 2.662 ( 8.949 -0.064 1.303) 9.043 3.696 ( 2.378 -13.452 -1.174) 13.711 5.778 ( 5.460 -7.780 -0.896) 9.547 5.962 ( -2.887 -2.051 0.348) 3.558 6.277 ( 4.114 -2.098 1.555) 4.873 6.674 ( 3.421 6.938 3.219) 8.379 7.002 ( -3.587 6.696 -1.015) 7.663 8.054 ( -5.850 2.283 0.317) 6.288 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 2.377 -7.561 -2.444) 8.294 1.840 ( 0.760 -5.979 1.239) 6.153 1.957 ( 1.200 -0.741 2.861) 3.190 2.352 ( 3.417 -5.293 -2.700) 6.855 2.768 ( 4.138 -3.879 0.543) 5.698 3.641 ( 6.309 -11.118 -0.735) 12.804 5.773 ( 4.391 -8.947 -1.025) 10.019 5.914 ( -0.851 -0.898 1.041) 1.617 6.311 ( 1.817 -3.718 1.977) 4.586 6.816 ( 2.936 6.400 4.106) 8.151 6.966 ( -6.988 5.704 -3.510) 9.679 7.996 ( -3.865 3.716 1.524) 5.575 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 0.000 -1.128 0.531) 1.247 1.891 ( -0.000 -6.208 -1.927) 6.500 2.029 ( 0.000 -1.827 4.888) 5.218 2.206 ( 0.000 -10.244 -0.006) 10.244 2.510 ( -0.000 7.116 0.103) 7.117 3.645 ( -0.000 -18.012 -2.122) 18.136 5.642 ( 0.000 -5.796 0.463) 5.815 6.054 ( 0.000 -2.658 0.001) 2.658 6.167 ( -0.000 -1.906 -0.489) 1.968 6.615 ( 0.000 6.932 3.795) 7.903 7.065 ( -0.000 8.516 0.048) 8.517 8.179 ( -0.000 2.147 -0.861) 2.313 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -0.061 -3.818 -1.805) 4.223 1.811 ( 0.734 -8.435 -2.458) 8.817 1.973 ( -1.982 -4.888 2.742) 5.945 2.164 ( 5.958 -10.432 -0.967) 12.052 2.620 ( 2.416 7.481 3.319) 8.533 3.461 ( 3.053 -20.756 -1.895) 21.065 5.607 ( 3.655 -8.323 -0.467) 9.102 6.002 ( -2.778 -0.809 -0.443) 2.927 6.190 ( 3.409 -0.916 0.140) 3.533 6.714 ( 1.705 6.313 6.087) 8.934 7.137 ( -2.395 9.520 -1.376) 9.913 8.168 ( -3.690 2.838 -0.565) 4.689 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 0.077 -8.779 -4.195) 9.730 1.745 ( 1.956 -9.005 0.338) 9.221 1.924 ( 1.201 -3.915 2.584) 4.842 2.167 ( 6.429 -10.216 -1.907) 12.220 2.732 ( 1.457 4.393 2.993) 5.511 3.344 ( 8.364 -19.750 -1.868) 21.529 5.587 ( 4.773 -9.792 -1.070) 10.946 5.954 ( -2.701 1.119 0.537) 2.972 6.241 ( 2.827 -1.638 0.653) 3.332 6.834 ( 2.986 4.998 5.960) 8.332 7.157 ( -5.946 9.691 -3.037) 11.769 8.119 ( -4.956 3.682 0.811) 6.227 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -0.000 -4.734 -3.122) 5.671 1.679 ( -0.000 -12.463 -5.418) 13.590 1.945 ( 0.000 -6.874 -0.184) 6.876 1.980 ( 0.000 -11.409 1.833) 11.555 2.701 ( 0.000 8.280 5.607) 10.000 3.184 ( -0.000 -25.432 -2.107) 25.519 5.486 ( 0.000 -8.893 -0.455) 8.904 6.026 ( -0.000 0.835 -1.335) 1.574 6.159 ( 0.000 1.072 0.392) 1.142 6.775 ( 0.000 4.455 7.946) 9.110 7.262 ( -0.000 11.186 -1.992) 11.362 8.230 ( -0.000 3.324 -1.124) 3.509 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -3.523 -10.985 -6.864) 13.424 1.575 ( 4.568 -12.539 -3.540) 13.807 1.851 ( 0.656 -7.894 2.504) 8.308 1.948 ( 5.539 -9.653 -0.442) 11.138 2.792 ( -0.256 4.759 6.703) 8.225 2.964 ( 6.396 -24.766 -3.564) 25.825 5.416 ( 2.749 -9.334 -0.771) 9.761 6.021 ( -2.116 3.017 -0.493) 3.718 6.197 ( 1.854 1.272 0.379) 2.280 6.851 ( 1.756 2.543 7.860) 8.446 7.344 ( -3.481 11.753 -2.796) 12.572 8.233 ( -3.129 3.627 -0.490) 4.815 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -0.000 -12.582 -8.007) 14.914 1.325 ( -0.000 -17.354 -9.494) 19.781 1.756 ( 0.000 -12.343 1.294) 12.410 1.805 ( 0.000 -6.968 4.031) 8.050 2.603 ( 0.000 -29.065 0.165) 29.065 2.884 ( 0.000 6.084 3.033) 6.798 5.299 ( -0.000 -8.571 -0.556) 8.589 6.078 ( -0.000 4.688 -0.778) 4.752 6.205 ( 0.000 2.869 0.550) 2.921 6.874 ( 0.000 0.133 8.910) 8.911 7.494 ( -0.000 12.686 -2.795) 12.990 8.293 ( -0.000 3.182 -1.293) 3.435 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( 0.000 -0.000 20.488) 20.488 0.373 ( 0.000 -0.000 20.488) 20.488 0.741 ( 0.000 -0.000 40.608) 40.608 1.640 ( -0.000 0.000 -3.713) 3.713 1.640 ( -0.000 0.000 -3.713) 3.713 3.496 ( -0.000 0.000 -10.749) 10.749 5.029 ( 0.000 -0.000 1.090) 1.090 5.029 ( 0.000 -0.000 1.090) 1.090 6.342 ( -0.000 0.000 -0.588) 0.588 6.342 ( -0.000 0.000 -0.588) 0.588 8.132 ( 0.000 -0.000 1.674) 1.674 8.441 ( -0.000 0.000 -0.580) 0.580 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( 8.493 4.903 12.433) 15.835 0.612 ( 6.498 3.751 20.802) 22.113 1.191 ( 23.421 13.522 25.419) 37.114 1.670 ( 2.432 1.404 -2.964) 4.083 1.693 ( 6.417 3.705 -5.749) 9.378 3.085 ( -9.744 -5.626 -0.854) 11.284 5.064 ( 2.605 1.504 1.178) 3.231 6.112 ( 37.646 21.735 -36.379) 56.684 6.302 ( -1.845 -1.065 -2.066) 2.967 6.321 ( -1.656 -0.956 -0.610) 2.007 8.073 ( -7.192 -4.152 4.306) 9.354 8.324 ( -4.768 -2.753 0.529) 5.531 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 12.553 7.247 4.638) 15.218 0.841 ( 8.664 5.002 11.789) 15.462 1.689 ( 10.229 5.906 7.581) 14.035 1.741 ( 4.319 2.493 -1.964) 5.360 2.008 ( 23.026 13.294 0.871) 26.602 2.957 ( -1.707 -0.986 -4.515) 4.927 5.157 ( 4.960 2.864 1.002) 5.814 6.167 ( -5.888 -3.399 -1.487) 6.960 6.268 ( -2.490 -1.437 -0.557) 2.928 6.643 ( 16.087 9.288 -18.310) 26.083 7.844 ( -12.353 -7.132 6.643) 15.735 8.239 ( -3.147 -1.817 -4.030) 5.426 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 10.904 6.296 0.904) 12.623 1.087 ( 10.236 5.910 2.768) 12.139 1.860 ( 5.113 2.952 -0.087) 5.904 1.866 ( 6.726 3.883 -0.786) 7.806 2.545 ( 17.661 10.197 -0.713) 20.406 2.991 ( 6.881 3.973 0.909) 7.997 5.300 ( 6.736 3.889 0.599) 7.801 6.017 ( -5.824 -3.362 -1.830) 6.970 6.210 ( -2.056 -1.187 -0.368) 2.403 6.872 ( 7.314 4.223 -8.922) 12.286 7.551 ( -13.904 -8.028 5.402) 16.940 8.144 ( -3.420 -1.974 -4.476) 5.969 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 7.334 4.234 -0.936) 8.520 1.338 ( 10.954 6.324 -2.387) 12.871 1.951 ( 2.962 1.710 -1.290) 3.656 2.047 ( 8.366 4.830 0.076) 9.661 2.741 ( 1.863 1.075 -1.967) 2.915 3.316 ( 16.381 9.457 3.908) 19.314 5.467 ( 7.074 4.084 0.008) 8.168 5.905 ( -2.710 -1.564 -2.120) 3.779 6.177 ( -0.547 -0.316 0.043) 0.633 6.948 ( 1.355 0.782 -6.436) 6.624 7.225 ( -14.694 -8.483 3.954) 17.421 8.073 ( -1.366 -0.789 -2.329) 2.813 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 4.367 2.522 -1.473) 5.254 1.585 ( 10.704 6.180 -4.665) 13.211 2.003 ( 1.980 1.143 -1.245) 2.603 2.240 ( 7.426 4.287 0.334) 8.581 2.707 ( -4.104 -2.369 1.049) 4.853 3.669 ( 11.995 6.925 2.313) 14.042 5.618 ( 5.499 3.175 -0.686) 6.387 5.893 ( 2.316 1.337 -2.085) 3.391 6.186 ( 1.089 0.629 0.658) 1.419 6.855 ( -11.378 -6.569 -4.019) 13.739 6.960 ( -4.041 -2.333 1.513) 4.905 8.064 ( 0.572 0.330 -0.091) 0.667 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 2.361 1.363 -1.320) 3.029 1.806 ( 8.947 5.166 -5.600) 11.751 2.046 ( 2.256 1.303 -1.669) 3.094 2.382 ( 4.172 2.409 0.291) 4.827 2.570 ( -7.487 -4.323 2.754) 9.074 3.887 ( 5.903 3.408 1.932) 7.085 5.716 ( 3.008 1.737 -1.110) 3.647 5.999 ( 6.963 4.020 -2.053) 8.299 6.220 ( 1.198 0.692 1.098) 1.766 6.557 ( -11.889 -6.864 0.823) 13.753 6.913 ( -0.910 -0.525 -1.491) 1.824 8.084 ( 0.815 0.471 0.885) 1.292 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 0.813 0.470 -0.812) 1.242 1.943 ( 3.073 1.774 -2.658) 4.434 2.119 ( 4.671 2.697 -5.437) 7.659 2.404 ( -6.253 -3.610 3.871) 8.193 2.430 ( -0.231 -0.133 0.149) 0.305 3.960 ( -0.295 -0.170 2.063) 2.091 5.755 ( 0.597 0.345 -0.970) 1.191 6.177 ( 6.140 3.545 -3.200) 7.778 6.233 ( -0.526 -0.304 1.026) 1.192 6.335 ( -5.059 -2.921 3.923) 7.037 6.907 ( 0.815 0.471 -1.131) 1.472 8.101 ( 0.307 0.177 1.274) 1.322 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -0.643 -0.371 0.055) 0.745 1.945 ( -2.457 -1.419 1.015) 3.013 2.133 ( -3.270 -1.888 -0.022) 3.775 2.371 ( -4.730 -2.731 -0.131) 5.464 2.399 ( 6.036 3.485 -3.260) 7.695 3.878 ( -7.252 -4.187 1.657) 8.537 5.736 ( -2.198 -1.269 -0.375) 2.566 6.110 ( -5.605 -3.236 2.666) 6.999 6.203 ( -1.930 -1.114 0.488) 2.282 6.482 ( 10.759 6.212 -2.340) 12.642 6.948 ( 2.935 1.694 -0.126) 3.391 8.112 ( 0.421 0.243 1.961) 2.021 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -2.447 -1.413 1.547) 3.222 1.829 ( -7.930 -4.578 5.279) 10.569 2.050 ( -3.607 -2.083 1.245) 4.347 2.213 ( -8.212 -4.741 -0.754) 9.513 2.570 ( 8.447 4.877 -5.397) 11.147 3.619 ( -15.047 -8.687 0.508) 17.382 5.643 ( -5.645 -3.259 0.295) 6.525 6.019 ( -2.695 -1.556 3.407) 4.614 6.164 ( -1.023 -0.591 -0.183) 1.195 6.713 ( 9.102 5.255 -6.459) 12.337 7.052 ( 5.911 3.413 1.695) 7.032 8.143 ( 1.740 1.004 2.913) 3.538 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -5.622 -3.246 4.226) 7.747 1.616 ( -11.797 -6.811 8.367) 15.986 1.947 ( -5.744 -3.316 -0.577) 6.658 1.998 ( -9.040 -5.219 -2.145) 10.657 2.745 ( 7.286 4.206 -3.759) 9.215 3.176 ( -22.127 -12.775 -0.586) 25.557 5.481 ( -7.798 -4.502 0.563) 9.022 6.009 ( 1.107 0.639 2.378) 2.699 6.163 ( 1.040 0.601 -0.512) 1.306 6.849 ( 4.262 2.461 -8.357) 9.698 7.242 ( 9.389 5.421 2.484) 11.122 8.212 ( 3.149 1.818 2.933) 4.671 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 0.000 18.150 10.182) 20.811 0.750 ( 0.000 15.154 16.376) 22.312 1.173 ( 0.000 16.004 31.011) 34.897 1.599 ( -0.000 0.073 -6.322) 6.323 1.736 ( -0.000 10.303 -3.646) 10.930 3.080 ( -0.000 -12.199 -2.851) 12.528 5.065 ( 0.000 2.957 1.181) 3.184 5.984 ( -0.000 41.924 -31.113) 52.208 6.311 ( -0.000 -0.879 -2.402) 2.557 6.316 ( -0.000 -2.060 -0.700) 2.176 8.081 ( 0.000 -8.191 3.874) 9.061 8.340 ( 0.000 -4.194 -0.110) 4.195 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -1.238 20.492 6.033) 21.398 0.908 ( -0.706 12.039 16.840) 20.713 1.588 ( 11.788 9.037 13.446) 20.036 1.645 ( 7.550 2.746 -3.444) 8.741 1.909 ( 7.253 18.565 -1.497) 19.988 2.949 ( -1.801 -4.333 -5.927) 7.559 5.131 ( 2.653 4.467 1.189) 5.330 6.196 ( -1.821 -3.716 -2.320) 4.745 6.278 ( -0.931 -2.163 -0.782) 2.482 6.446 ( 12.027 18.210 -20.312) 29.813 7.932 ( -6.096 -11.898 5.870) 14.601 8.276 ( -3.312 -1.090 -3.205) 4.736 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 0.965 12.868 10.327) 16.528 1.103 ( 3.371 14.816 2.444) 15.390 1.748 ( 7.421 2.438 -2.866) 8.320 1.848 ( 4.522 6.416 1.503) 7.993 2.371 ( 16.810 18.019 1.396) 24.682 2.924 ( 3.639 1.142 -2.861) 4.768 5.254 ( 4.625 6.075 1.066) 7.709 6.071 ( -5.144 -4.717 -1.498) 7.139 6.232 ( -1.659 -1.411 -0.608) 2.261 6.731 ( 10.187 6.748 -11.543) 16.809 7.684 ( -9.879 -11.572 5.684) 16.242 8.180 ( -4.379 -1.554 -4.466) 6.445 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 3.809 8.327 5.815) 10.847 1.318 ( 4.135 13.519 -2.269) 14.319 1.888 ( 5.389 1.846 -1.506) 5.892 1.999 ( 5.223 8.220 -0.280) 9.743 2.688 ( 5.737 4.399 -3.429) 8.001 3.156 ( 14.390 10.758 3.504) 18.305 5.418 ( 5.487 7.327 0.760) 9.185 5.938 ( -4.121 -3.106 -1.646) 5.417 6.196 ( -1.307 0.261 -0.545) 1.440 6.874 ( 5.123 0.549 -7.433) 9.044 7.388 ( -12.437 -10.233 4.364) 16.686 8.082 ( -2.671 -2.053 -3.073) 4.560 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 3.387 6.061 1.813) 7.177 1.517 ( 5.530 10.900 -3.224) 12.640 1.964 ( 2.918 0.543 -1.352) 3.262 2.196 ( 5.885 9.347 0.313) 11.049 2.735 ( -0.624 -0.567 -0.924) 1.251 3.533 ( 13.282 9.458 2.389) 16.479 5.588 ( 4.450 7.637 0.220) 8.842 5.873 ( -0.211 -0.416 -1.488) 1.559 6.193 ( -0.159 1.796 -0.218) 1.817 6.884 ( -0.485 -2.859 -7.231) 7.791 7.080 ( -12.251 -7.458 4.071) 14.909 8.038 ( 0.680 -2.138 -0.652) 2.336 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 1.393 4.744 -0.089) 4.945 1.715 ( 6.646 8.110 -3.952) 11.206 2.009 ( 2.413 0.200 -1.197) 2.701 2.372 ( 3.343 7.636 0.723) 8.367 2.665 ( -5.616 -1.382 0.665) 5.821 3.806 ( 8.434 4.951 1.796) 9.943 5.720 ( 1.844 7.033 -0.409) 7.282 5.918 ( 4.686 2.059 -1.259) 5.271 6.221 ( 0.681 2.212 0.280) 2.332 6.702 ( -11.098 -5.921 -1.859) 12.716 6.922 ( -2.142 -1.754 -0.223) 2.778 8.047 ( 2.430 -2.371 0.714) 3.470 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -0.186 3.649 -0.535) 3.693 1.877 ( 5.334 4.066 -4.187) 7.907 2.054 ( 3.044 0.764 -2.495) 4.010 2.444 ( -1.609 -0.245 2.248) 2.775 2.554 ( -7.064 5.258 0.334) 8.812 3.944 ( 3.160 0.823 2.063) 3.863 5.793 ( -0.979 6.043 -0.694) 6.161 6.052 ( 7.490 1.639 -1.537) 7.820 6.254 ( 0.547 2.254 0.250) 2.333 6.462 ( -9.895 -2.803 2.127) 10.502 6.894 ( 0.149 -0.286 -1.415) 1.452 8.068 ( 2.379 -2.697 1.113) 3.765 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -1.459 2.327 -0.277) 2.761 1.945 ( 1.199 -0.348 -1.050) 1.632 2.105 ( 2.541 -0.916 -4.666) 5.391 2.373 ( -2.475 -1.404 2.757) 3.962 2.519 ( -6.806 8.483 -0.696) 10.898 3.944 ( -3.082 -2.589 2.073) 4.528 5.804 ( -3.653 4.310 -0.444) 5.667 6.110 ( 0.157 -5.040 0.039) 5.042 6.284 ( -3.944 2.172 -0.177) 4.506 6.393 ( 4.761 5.742 1.427) 7.594 6.911 ( 2.091 0.501 -0.971) 2.359 8.082 ( 2.108 -2.755 1.449) 3.760 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -2.621 0.290 0.655) 2.717 1.910 ( -3.680 -2.587 1.981) 4.915 2.074 ( -1.665 -3.179 -0.982) 3.721 2.327 ( -5.604 -0.951 0.566) 5.713 2.521 ( 0.343 8.602 -3.341) 9.235 3.785 ( -10.958 -5.507 1.385) 12.342 5.743 ( -6.614 1.428 0.135) 6.768 6.035 ( -1.778 -4.541 1.877) 5.225 6.225 ( -4.343 2.278 0.594) 4.940 6.599 ( 8.776 6.790 -4.060) 11.815 6.979 ( 4.994 1.051 0.438) 5.123 8.104 ( 2.862 -2.179 2.005) 4.118 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -4.263 -3.205 2.839) 6.042 1.780 ( -8.601 -2.886 4.335) 10.055 1.992 ( -3.787 -3.458 -1.389) 5.313 2.157 ( -11.424 -0.737 0.364) 11.453 2.654 ( 6.164 5.673 -4.109) 9.330 3.449 ( -19.597 -7.683 0.733) 21.063 5.602 ( -9.083 -1.345 0.610) 9.202 5.992 ( 0.568 -2.252 1.679) 2.866 6.191 ( -2.362 2.677 -0.056) 3.570 6.775 ( 5.631 4.853 -7.243) 10.379 7.122 ( 9.011 2.067 2.154) 9.493 8.156 ( 4.302 -1.219 1.982) 4.891 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 0.000 18.876 4.557) 19.418 1.142 ( 0.000 13.781 12.388) 18.531 1.578 ( -0.000 2.851 -8.207) 8.688 1.630 ( 0.000 12.130 16.321) 20.335 2.052 ( -0.000 22.403 -0.638) 22.412 2.896 ( -0.000 -4.229 -6.666) 7.894 5.164 ( 0.000 6.008 1.056) 6.101 6.168 ( -0.000 -3.730 -1.328) 3.960 6.256 ( -0.000 -3.156 -0.666) 3.226 6.475 ( -0.000 16.391 -16.456) 23.227 7.864 ( 0.000 -14.339 5.212) 15.257 8.288 ( -0.000 -0.947 -3.872) 3.986 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -3.197 11.057 9.645) 15.017 1.256 ( -1.494 17.341 2.067) 17.528 1.654 ( 5.507 5.757 -4.671) 9.235 1.835 ( 5.263 7.010 5.028) 10.105 2.363 ( 7.585 22.077 -0.473) 23.348 2.869 ( 2.371 1.010 -3.118) 4.045 5.261 ( 2.804 7.458 1.056) 8.038 6.091 ( -3.140 -4.851 -1.109) 5.884 6.225 ( 0.084 -2.393 -0.602) 2.469 6.626 ( 5.911 8.291 -10.594) 14.695 7.690 ( -4.243 -14.313 4.707) 15.653 8.230 ( -3.705 -1.228 -4.512) 5.965 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -1.717 8.577 8.008) 11.859 1.420 ( 0.489 15.156 -2.928) 15.444 1.815 ( 5.473 4.952 -0.597) 7.405 1.997 ( 5.101 8.179 -0.286) 9.644 2.631 ( 5.264 6.492 -4.649) 9.564 3.061 ( 10.727 13.444 3.521) 17.556 5.417 ( 4.658 8.951 1.188) 10.160 5.973 ( -4.182 -3.588 -1.446) 5.696 6.208 ( -0.014 -0.366 -0.961) 1.028 6.757 ( 5.880 1.086 -6.535) 8.857 7.461 ( -7.317 -12.702 3.908) 15.170 8.119 ( -4.905 -1.935 -3.936) 6.580 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 0.612 7.752 5.611) 9.589 1.567 ( 1.703 12.211 -3.830) 12.911 1.913 ( 2.915 1.042 -0.734) 3.181 2.204 ( 6.005 11.374 0.396) 12.868 2.715 ( 2.415 1.006 -2.210) 3.425 3.425 ( 11.751 12.606 2.234) 17.378 5.603 ( 4.623 9.777 1.170) 10.878 5.883 ( -2.257 -1.166 -1.223) 2.819 6.213 ( 0.109 1.783 -1.363) 2.247 6.810 ( 3.043 -2.559 -5.420) 6.722 7.204 ( -9.548 -9.717 3.149) 13.983 8.017 ( -2.332 -2.858 -2.046) 4.218 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 0.161 6.997 2.938) 7.590 1.713 ( 3.143 9.541 -2.668) 10.393 1.959 ( 2.569 -0.335 -0.975) 2.768 2.401 ( 3.468 8.270 1.351) 9.069 2.738 ( -1.318 3.206 -0.878) 3.576 3.712 ( 8.805 6.522 1.138) 11.016 5.769 ( 2.551 9.076 0.874) 9.468 5.876 ( 1.729 1.578 -0.690) 2.440 6.237 ( 0.360 2.587 -1.446) 2.986 6.772 ( -2.923 -3.580 -4.394) 6.377 6.976 ( -7.055 -4.751 2.314) 8.815 7.972 ( 1.501 -3.959 -0.242) 4.241 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -1.265 6.179 1.132) 6.408 1.841 ( 2.973 5.582 -2.409) 6.767 2.000 ( 2.926 -0.219 -1.262) 3.194 2.469 ( -0.871 -0.744 2.026) 2.328 2.754 ( -4.997 11.763 -0.912) 12.813 3.879 ( 5.543 0.855 1.369) 5.774 5.880 ( 0.060 7.774 0.552) 7.794 5.958 ( 4.659 2.151 -0.508) 5.157 6.264 ( 0.579 1.750 -1.400) 2.315 6.616 ( -8.991 -1.196 0.275) 9.074 6.893 ( -0.973 -0.668 -0.764) 1.406 7.976 ( 3.490 -4.796 0.552) 5.957 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -2.760 4.936 0.538) 5.680 1.911 ( 1.899 1.071 -1.746) 2.793 2.042 ( 2.418 -0.564 -2.767) 3.717 2.413 ( -2.753 -2.365 2.447) 4.377 2.771 ( -8.347 13.820 -0.854) 16.167 3.937 ( 1.576 -2.738 1.735) 3.604 5.925 ( -3.182 5.822 0.419) 6.648 6.042 ( 2.965 -1.414 -0.271) 3.297 6.298 ( 2.440 1.728 -2.338) 3.795 6.491 ( -6.613 4.747 2.896) 8.640 6.886 ( 0.582 0.178 -1.354) 1.484 7.992 ( 3.735 -5.015 0.803) 6.305 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -4.211 2.592 0.729) 4.998 1.924 ( -0.162 -1.186 0.086) 1.200 2.044 ( 0.535 -2.434 -3.044) 3.934 2.371 ( -1.251 -0.213 2.007) 2.375 2.728 ( -10.249 11.274 -1.177) 15.281 3.882 ( -4.602 -4.272 1.407) 6.435 5.889 ( -6.143 2.970 0.699) 6.859 6.018 ( -1.435 -3.846 0.492) 4.134 6.327 ( -2.266 2.583 -1.470) 3.737 6.540 ( 3.837 7.980 -0.159) 8.856 6.911 ( 2.854 -0.329 -0.514) 2.919 8.013 ( 3.922 -4.432 0.940) 5.992 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -5.526 -0.878 1.952) 5.926 1.875 ( -4.044 -1.741 1.518) 4.657 2.001 ( -1.483 -2.556 -3.040) 4.239 2.330 ( -6.034 0.260 1.933) 6.341 2.677 ( -3.950 7.428 -1.994) 8.646 3.686 ( -13.039 -4.374 0.917) 13.784 5.770 ( -9.458 0.519 0.919) 9.516 5.962 ( -0.310 -3.172 0.460) 3.220 6.287 ( -4.513 3.051 -0.637) 5.485 6.710 ( 6.053 6.726 -4.626) 10.163 6.990 ( 6.912 -0.678 1.650) 7.139 8.053 ( 4.897 -3.267 0.610) 5.918 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.000 3.925 2.444) 4.623 1.429 ( -0.000 15.481 0.444) 15.487 1.689 ( -0.000 12.410 -2.319) 12.625 1.866 ( 0.000 5.633 4.405) 7.151 2.502 ( -0.000 15.750 -4.388) 16.350 2.882 ( 0.000 9.249 2.059) 9.476 5.317 ( 0.000 8.214 0.592) 8.235 6.072 ( -0.000 -4.085 -1.256) 4.273 6.191 ( -0.000 -2.646 -0.364) 2.671 6.623 ( -0.000 5.510 -7.130) 9.011 7.586 ( 0.000 -15.010 3.517) 15.417 8.239 ( -0.000 -1.281 -4.516) 4.695 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -0.114 3.216 0.472) 3.252 1.566 ( -0.794 13.106 -2.700) 13.405 1.829 ( 0.994 9.285 1.749) 9.500 1.975 ( 5.664 6.745 -1.030) 8.868 2.604 ( 2.304 3.633 -4.014) 5.884 3.099 ( 5.096 19.460 4.706) 20.659 5.437 ( 3.505 8.887 0.523) 9.568 6.000 ( -3.022 -2.848 -1.901) 4.567 6.183 ( 1.379 -1.115 -0.567) 1.862 6.671 ( 2.971 0.882 -3.804) 4.907 7.419 ( -2.792 -14.099 2.497) 14.588 8.175 ( -4.006 -1.432 -4.080) 5.894 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 2.099 4.499 2.214) 5.436 1.664 ( -0.242 10.789 -4.672) 11.759 1.896 ( 0.623 2.089 0.617) 2.266 2.201 ( 7.759 11.368 0.066) 13.763 2.663 ( 3.392 0.456 -1.047) 3.579 3.414 ( 6.811 16.689 2.468) 18.193 5.617 ( 5.461 9.489 0.811) 10.978 5.918 ( -3.091 -0.749 -1.771) 3.640 6.207 ( 1.605 0.912 -1.500) 2.378 6.711 ( 3.405 -2.360 -2.224) 4.703 7.225 ( -4.614 -11.796 1.814) 12.795 8.059 ( -5.499 -1.762 -3.012) 6.513 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 2.105 5.577 3.112) 6.725 1.762 ( 1.476 8.820 -3.505) 9.605 1.919 ( 1.020 -0.035 -0.089) 1.025 2.417 ( 4.008 6.869 1.509) 8.095 2.752 ( 4.772 4.767 -0.470) 6.762 3.663 ( 5.344 9.365 0.667) 10.803 5.806 ( 4.175 8.597 1.014) 9.611 5.883 ( -0.509 2.011 -0.903) 2.263 6.241 ( 1.108 1.612 -2.404) 3.099 6.732 ( 2.351 -2.147 -1.857) 3.686 7.036 ( -5.391 -7.916 1.569) 9.705 7.946 ( -3.371 -2.777 -1.578) 4.644 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -0.025 6.208 1.952) 6.508 1.862 ( 1.184 5.797 -1.144) 6.027 1.941 ( 2.505 -0.774 -0.671) 2.707 2.473 ( -0.344 -1.144 1.547) 1.955 2.922 ( 2.253 13.846 -0.548) 14.039 3.797 ( 3.890 1.191 0.332) 4.081 5.908 ( 2.278 3.599 0.461) 4.284 5.958 ( 1.601 6.198 0.488) 6.420 6.256 ( 0.526 -0.080 -2.651) 2.704 6.729 ( -2.534 1.443 -0.564) 2.970 6.908 ( -2.432 -2.686 0.575) 3.669 7.881 ( 0.585 -4.493 -0.425) 4.551 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -2.432 6.169 1.263) 6.750 1.901 ( 0.239 1.236 -0.672) 1.427 1.985 ( 2.652 -0.830 -1.240) 3.043 2.433 ( -1.722 -2.377 1.333) 3.224 3.058 ( -5.326 16.650 -0.675) 17.494 3.847 ( 4.093 -4.783 0.866) 6.354 5.988 ( 1.889 0.773 0.196) 2.050 6.020 ( -0.176 5.237 1.141) 5.363 6.253 ( 1.696 -1.535 -2.626) 3.482 6.682 ( -6.362 6.391 1.774) 9.190 6.883 ( -0.234 0.154 -1.265) 1.296 7.868 ( 3.552 -5.571 0.111) 6.608 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -5.141 4.117 1.150) 6.686 1.910 ( 0.501 -0.198 -0.367) 0.652 1.997 ( 1.316 -2.197 -1.709) 3.079 2.394 ( -1.125 -0.736 1.570) 2.067 3.052 ( -11.966 12.716 -0.634) 17.473 3.857 ( 2.380 -5.404 0.844) 5.965 5.972 ( -2.003 -1.305 0.668) 2.482 6.047 ( -2.867 1.598 0.745) 3.366 6.299 ( 4.848 0.691 -3.026) 5.757 6.664 ( -5.269 9.174 2.000) 10.767 6.873 ( 0.266 -1.202 -1.149) 1.684 7.888 ( 4.628 -4.888 0.099) 6.732 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -6.832 0.483 1.613) 7.036 1.907 ( -0.865 -0.621 0.424) 1.146 1.984 ( -0.127 -1.288 -2.701) 2.995 2.386 ( -0.550 0.292 2.246) 2.331 2.913 ( -13.170 6.048 -0.505) 14.501 3.806 ( -4.147 -2.958 0.340) 5.105 5.911 ( -4.324 -0.907 0.768) 4.484 5.971 ( -4.777 -1.041 0.243) 4.895 6.360 ( -0.051 1.607 -3.068) 3.463 6.703 ( 0.641 7.069 -0.412) 7.110 6.884 ( 3.563 -2.217 0.801) 4.272 7.931 ( 4.923 -3.046 -0.420) 5.804 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -0.000 1.207 -2.994) 3.228 1.685 ( -0.000 10.396 -4.702) 11.410 1.927 ( -0.000 0.613 -2.405) 2.482 1.970 ( 0.000 13.440 1.289) 13.502 2.601 ( 0.000 0.807 0.233) 0.840 3.287 ( 0.000 21.680 4.195) 22.082 5.489 ( -0.000 7.977 -0.254) 7.981 5.999 ( -0.000 -1.544 -3.308) 3.651 6.157 ( 0.000 -0.292 0.281) 0.405 6.642 ( -0.000 -0.638 -0.691) 0.940 7.302 ( 0.000 -13.820 1.028) 13.858 8.188 ( -0.000 -1.124 -3.652) 3.821 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 3.094 1.885 -1.758) 4.027 1.748 ( -0.379 7.044 -7.662) 10.415 1.919 ( -0.510 1.266 0.057) 1.366 2.176 ( 7.104 11.330 0.282) 13.376 2.617 ( 1.443 -1.006 2.787) 3.296 3.529 ( 2.068 18.429 2.375) 18.696 5.609 ( 4.795 7.349 -0.336) 8.782 5.957 ( -2.265 0.224 -3.467) 4.147 6.181 ( 1.677 1.220 -0.240) 2.088 6.642 ( 1.457 -2.388 1.195) 3.042 7.155 ( -1.530 -12.104 0.054) 12.201 8.129 ( -4.193 -0.854 -2.907) 5.174 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 5.364 2.915 0.573) 6.131 1.796 ( 1.697 5.003 -5.991) 7.988 1.927 ( -0.677 1.535 0.955) 1.931 2.409 ( 5.596 7.419 0.965) 9.343 2.672 ( 6.325 0.648 1.897) 6.635 3.724 ( 1.106 12.205 0.615) 12.270 5.792 ( 6.732 6.940 -0.052) 9.669 5.922 ( -1.706 2.282 -2.320) 3.674 6.224 ( 1.463 1.450 -1.346) 2.461 6.655 ( 2.899 -2.696 1.512) 4.238 7.012 ( -2.034 -9.032 -0.109) 9.259 8.017 ( -6.310 -0.773 -2.016) 6.669 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 4.498 3.568 0.859) 5.805 1.873 ( 3.140 3.049 -2.121) 4.863 1.927 ( -1.240 1.508 0.512) 2.019 2.475 ( -0.582 -0.784 1.447) 1.746 2.908 ( 12.219 8.701 0.304) 15.004 3.807 ( -1.642 4.666 -0.274) 4.954 5.922 ( 0.723 3.904 -0.384) 3.989 5.972 ( 3.814 5.144 -0.292) 6.410 6.239 ( -0.076 -0.499 -1.674) 1.748 6.713 ( 4.812 0.082 0.598) 4.849 6.908 ( -1.523 -4.751 0.427) 5.007 7.892 ( -5.491 -1.519 -1.128) 5.808 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 2.021 4.705 0.495) 5.144 1.913 ( -0.207 -0.401 0.081) 0.458 1.936 ( 0.944 0.619 -0.357) 1.184 2.439 ( -1.359 -2.034 0.604) 2.519 3.213 ( 8.052 13.237 0.049) 15.494 3.766 ( -2.733 -3.883 -0.151) 4.751 5.978 ( 1.266 2.626 0.294) 2.930 6.062 ( 1.492 4.102 0.272) 4.373 6.207 ( -0.502 -2.815 -1.505) 3.232 6.799 ( 0.958 3.774 0.430) 3.917 6.874 ( 0.892 -0.795 0.052) 1.196 7.798 ( -1.914 -2.964 -0.389) 3.549 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -3.592 4.545 0.848) 5.855 1.904 ( -0.068 -0.128 -0.100) 0.176 1.937 ( 2.110 -2.989 -0.607) 3.708 2.405 ( -0.818 -0.989 0.524) 1.386 3.379 ( -8.578 13.719 -0.228) 16.181 3.699 ( 6.240 -9.213 0.238) 11.130 5.991 ( -1.097 -0.348 0.482) 1.247 6.111 ( -2.031 2.020 0.962) 3.022 6.201 ( 4.750 -0.547 -2.077) 5.213 6.827 ( -1.706 4.363 1.516) 4.924 6.873 ( -2.148 -0.116 -1.154) 2.441 7.774 ( 2.673 -2.742 -0.189) 3.834 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -6.676 -1.024 0.916) 6.815 1.909 ( 0.165 0.051 0.104) 0.202 1.965 ( 1.428 0.947 -0.861) 1.918 2.393 ( 0.039 -0.395 1.279) 1.339 3.209 ( -15.206 0.629 0.117) 15.219 3.776 ( 4.712 -0.751 -0.271) 4.780 5.954 ( -2.536 -0.246 0.675) 2.636 6.055 ( -4.018 -1.152 -0.033) 4.180 6.307 ( 5.260 1.741 -2.496) 6.077 6.786 ( -3.857 -3.721 -0.306) 5.368 6.850 ( -0.796 3.560 1.335) 3.885 7.825 ( 4.524 -0.306 -0.687) 4.586 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -0.000 1.340 -2.422) 2.768 1.764 ( -0.000 2.103 -10.666) 10.872 1.942 ( 0.000 2.466 1.185) 2.736 2.221 ( 0.000 10.065 0.872) 10.103 2.603 ( 0.000 -2.274 4.764) 5.279 3.700 ( 0.000 16.205 1.389) 16.264 5.622 ( -0.000 5.097 -0.776) 5.155 5.973 ( -0.000 1.426 -4.662) 4.876 6.186 ( 0.000 2.540 0.664) 2.625 6.611 ( 0.000 -2.840 3.122) 4.221 7.047 ( -0.000 -10.606 -1.118) 10.665 8.154 ( -0.000 -0.430 -2.361) 2.400 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 4.685 1.660 -0.907) 5.053 1.768 ( 2.135 1.351 -6.984) 7.427 1.967 ( -0.715 2.583 1.115) 2.903 2.377 ( 6.254 7.675 0.269) 9.904 2.596 ( 1.538 -3.200 3.968) 5.325 3.846 ( -0.314 11.540 0.129) 11.545 5.723 ( 6.235 4.145 -0.571) 7.509 5.968 ( -1.354 2.880 -3.513) 4.740 6.223 ( 0.652 2.537 0.040) 2.620 6.596 ( 0.999 -3.526 2.883) 4.663 6.944 ( -0.490 -7.568 -1.090) 7.661 8.106 ( -4.207 -0.058 -1.747) 4.556 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 6.678 1.549 -0.254) 6.860 1.827 ( 3.666 1.752 -1.953) 4.509 1.975 ( -1.330 2.013 0.653) 2.499 2.485 ( -0.471 -0.223 0.943) 1.077 2.721 ( 13.681 2.661 1.087) 13.980 3.911 ( -2.779 6.109 -0.672) 6.745 5.897 ( 7.780 3.699 -0.529) 8.631 5.973 ( -0.789 3.490 -1.524) 3.889 6.245 ( -0.519 0.961 -0.177) 1.106 6.607 ( 4.269 -3.317 1.066) 5.510 6.878 ( -0.188 -3.546 0.005) 3.551 8.002 ( -6.849 0.170 -1.129) 6.943 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 6.333 1.098 -0.671) 6.462 1.890 ( 1.805 0.461 0.278) 1.884 1.968 ( -1.611 1.252 0.575) 2.120 2.446 ( -1.569 -1.885 -0.081) 2.454 3.046 ( 17.470 3.696 0.499) 17.864 3.862 ( -6.873 1.363 -0.719) 7.043 5.993 ( -0.103 2.130 -0.252) 2.147 6.039 ( 4.680 2.365 -0.896) 5.319 6.221 ( -2.456 -0.242 0.781) 2.589 6.705 ( 8.892 -1.012 -0.726) 8.979 6.861 ( 0.187 -0.678 1.004) 1.226 7.873 ( -7.150 0.063 -0.447) 7.164 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 5.479 -0.684 -0.694) 5.565 1.903 ( -0.013 -0.104 0.104) 0.148 1.932 ( -3.382 0.263 0.472) 3.425 2.409 ( -0.800 -0.948 -0.413) 1.307 3.377 ( 16.385 -0.442 0.169) 16.392 3.701 ( -11.367 0.628 -0.179) 11.385 5.996 ( 0.037 -0.844 -0.488) 0.976 6.119 ( 2.644 -1.476 -0.935) 3.169 6.183 ( -2.206 3.895 1.881) 4.855 6.839 ( 3.136 0.777 -1.038) 3.393 6.864 ( 2.347 -1.747 0.795) 3.032 7.772 ( -3.713 0.756 0.155) 3.792 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -3.266 -5.657 -0.000) 6.532 1.906 ( 0.116 0.200 -0.000) 0.231 1.953 ( 2.302 3.987 -0.000) 4.604 2.391 ( -0.367 -0.636 -0.000) 0.734 3.386 ( -7.750 -13.423 -0.000) 15.500 3.692 ( 5.142 8.906 -0.000) 10.283 5.987 ( -0.154 -0.267 0.000) 0.309 6.081 ( -1.835 -3.179 -0.000) 3.671 6.255 ( 2.611 4.523 0.000) 5.223 6.784 ( -3.524 -6.104 0.000) 7.048 6.904 ( 0.309 0.536 -0.000) 0.619 7.779 ( 1.848 3.200 -0.000) 3.695 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -0.000 1.341 -0.633) 1.483 1.742 ( -0.000 1.770 -3.644) 4.051 2.001 ( 0.000 1.913 0.928) 2.126 2.383 ( -0.000 5.273 0.245) 5.279 2.560 ( 0.000 -4.091 2.903) 5.016 3.952 ( -0.000 8.103 -0.733) 8.136 5.693 ( -0.000 2.418 -0.142) 2.422 6.006 ( -0.000 3.901 -2.560) 4.665 6.246 ( -0.000 2.413 0.024) 2.413 6.555 ( 0.000 -4.413 1.293) 4.598 6.882 ( -0.000 -4.475 -0.360) 4.489 8.140 ( -0.000 0.115 -1.396) 1.401 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 4.832 0.945 -0.152) 4.925 1.790 ( 2.540 3.283 0.831) 4.233 2.012 ( -0.736 1.046 0.889) 1.558 2.478 ( 2.846 1.532 -0.429) 3.260 2.542 ( 5.341 -2.834 1.212) 6.166 3.998 ( -1.385 3.725 -1.355) 4.199 5.780 ( 6.974 1.675 0.112) 7.174 6.031 ( -1.419 4.070 -0.269) 4.318 6.264 ( -0.104 1.151 -0.261) 1.184 6.518 ( 1.440 -4.323 -1.284) 4.734 6.855 ( 0.045 -1.194 0.991) 1.552 8.102 ( -4.036 0.333 -1.057) 4.186 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 6.534 -0.194 -0.733) 6.578 1.872 ( 1.909 2.507 2.137) 3.808 2.005 ( -1.170 0.373 1.313) 1.798 2.449 ( -1.301 -2.326 -1.472) 3.045 2.757 ( 16.037 -0.226 0.630) 16.051 3.967 ( -3.842 -0.005 -1.353) 4.073 5.934 ( 7.765 0.152 -0.558) 7.786 6.032 ( -1.711 1.732 0.746) 2.546 6.266 ( -1.040 1.255 1.162) 2.002 6.540 ( 6.200 -1.952 -2.327) 6.904 6.859 ( 0.094 0.604 1.426) 1.552 8.006 ( -6.783 0.584 -0.582) 6.833 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 6.196 -2.318 -1.208) 6.725 1.906 ( -0.019 0.605 0.569) 0.830 1.983 ( -1.947 -0.236 1.492) 2.464 2.409 ( -0.572 -1.028 -1.714) 2.079 3.047 ( 17.223 -3.933 0.496) 17.673 3.864 ( -6.301 -0.843 -0.644) 6.390 5.979 ( -0.238 -2.301 -0.824) 2.455 6.052 ( 3.123 -1.843 -0.368) 3.645 6.271 ( -1.683 4.078 3.018) 5.345 6.681 ( 10.273 -0.229 -1.793) 10.431 6.863 ( -1.038 0.091 0.958) 1.416 7.888 ( -6.860 1.400 0.134) 7.002 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 0.000 0.939 0.816) 1.244 1.821 ( 0.000 5.484 4.487) 7.085 2.027 ( 0.000 0.145 1.379) 1.386 2.435 ( -0.000 -0.255 -0.149) 0.295 2.480 ( -0.000 -3.809 -1.527) 4.104 4.023 ( -0.000 -0.289 -1.928) 1.950 5.726 ( 0.000 0.623 0.862) 1.064 6.092 ( 0.000 3.835 2.341) 4.493 6.264 ( -0.000 -0.540 -0.914) 1.062 6.458 ( -0.000 -2.881 -4.151) 5.053 6.860 ( 0.000 1.200 1.959) 2.298 8.138 ( -0.000 0.382 -1.070) 1.136 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 3.693 0.046 0.496) 3.726 1.899 ( 0.251 4.380 4.306) 6.147 2.026 ( -0.657 -0.301 2.847) 2.937 2.432 ( -0.512 -2.883 -3.190) 4.330 2.510 ( 9.920 -2.024 0.164) 10.126 3.983 ( -1.117 -4.239 -1.995) 4.816 5.793 ( 6.526 -0.796 0.660) 6.607 6.092 ( -3.170 -0.154 2.011) 3.757 6.270 ( 1.701 -0.613 0.645) 1.920 6.451 ( 2.082 1.403 -4.057) 4.771 6.885 ( -0.372 2.779 1.827) 3.346 8.105 ( -3.830 0.614 -0.963) 3.997 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 4.834 -2.108 -0.714) 5.322 1.922 ( -0.815 0.382 0.594) 1.079 2.012 ( -1.515 -0.928 3.691) 4.097 2.395 ( 0.060 -1.382 -3.018) 3.320 2.718 ( 15.039 -3.498 0.904) 15.467 3.895 ( -1.787 -6.358 -1.351) 6.741 5.895 ( 6.148 -3.735 -0.596) 7.219 6.019 ( -2.586 -2.852 0.160) 3.853 6.308 ( 2.242 0.258 2.573) 3.423 6.545 ( 5.465 4.800 -1.241) 7.378 6.904 ( -1.548 3.012 0.851) 3.492 8.019 ( -6.204 1.155 -0.482) 6.329 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 0.000 0.036 1.046) 1.047 1.946 ( 0.000 1.114 1.327) 1.733 2.051 ( 0.000 1.052 6.994) 7.073 2.371 ( 0.000 -5.728 -0.201) 5.731 2.414 ( -0.000 0.627 -3.795) 3.846 3.916 ( -0.000 -9.016 -2.228) 9.287 5.722 ( 0.000 -1.935 1.057) 2.205 6.123 ( 0.000 -3.001 1.633) 3.417 6.219 ( -0.000 -2.817 -1.095) 3.023 6.470 ( -0.000 6.669 -1.290) 6.792 6.933 ( 0.000 4.684 1.455) 4.905 8.144 ( -0.000 0.967 -1.347) 1.658 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 1.974 -1.498 -0.051) 2.479 1.924 ( -0.614 -3.162 -1.287) 3.469 2.049 ( -2.183 -1.481 4.670) 5.364 2.339 ( 2.685 -6.037 -1.917) 6.880 2.499 ( 7.291 3.333 1.286) 8.119 3.800 ( 0.521 -12.599 -1.777) 12.734 5.743 ( 4.952 -4.689 0.180) 6.823 6.046 ( -3.389 -3.340 -0.600) 4.796 6.229 ( 3.836 -2.721 -0.231) 4.708 6.568 ( 1.594 8.789 2.660) 9.320 6.979 ( -1.411 5.738 0.291) 5.916 8.119 ( -3.630 1.537 -1.362) 4.170 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -0.000 -1.871 -0.574) 1.957 1.868 ( -0.000 -7.247 -3.326) 7.974 2.054 ( 0.000 -3.939 0.821) 4.023 2.208 ( 0.000 -9.914 0.427) 9.923 2.528 ( 0.000 9.250 3.650) 9.944 3.629 ( -0.000 -17.913 -1.505) 17.976 5.644 ( 0.000 -6.185 0.096) 6.186 6.044 ( -0.000 -3.031 -2.071) 3.671 6.164 ( -0.000 -1.522 -0.172) 1.532 6.658 ( 0.000 8.807 5.623) 10.449 7.063 ( -0.000 7.710 -0.684) 7.740 8.166 ( -0.000 2.246 -2.078) 3.060 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 0.000 -0.000 20.015) 20.015 0.555 ( 0.000 -0.000 20.015) 20.015 1.102 ( 0.000 -0.000 39.561) 39.561 1.597 ( -0.000 0.000 -5.765) 5.765 1.597 ( -0.000 0.000 -5.765) 5.765 3.376 ( -0.000 0.000 -15.671) 15.671 5.040 ( 0.000 -0.000 1.357) 1.357 5.040 ( 0.000 -0.000 1.357) 1.357 6.336 ( -0.000 0.000 -0.732) 0.732 6.336 ( -0.000 0.000 -0.732) 0.732 8.149 ( 0.000 -0.000 2.193) 2.193 8.435 ( -0.000 0.000 -0.835) 0.835 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 4.492 2.593 16.359) 17.161 0.804 ( 5.967 3.445 21.212) 22.303 1.432 ( 16.987 9.808 27.685) 33.930 1.632 ( 6.347 3.664 -7.657) 10.599 1.634 ( 3.040 1.755 -4.910) 6.036 3.049 ( -10.542 -6.086 -7.133) 14.108 5.076 ( 2.549 1.472 1.317) 3.225 5.836 ( 39.584 22.854 -24.538) 51.878 6.290 ( -3.426 -1.978 -1.078) 4.100 6.314 ( -1.635 -0.944 -0.734) 2.026 8.108 ( -5.340 -3.083 3.662) 7.171 8.324 ( -6.288 -3.630 -0.540) 7.281 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 9.753 5.631 9.242) 14.568 0.974 ( 4.351 2.512 17.014) 17.741 1.715 ( 5.029 2.904 -3.651) 6.860 1.717 ( 6.497 3.751 -1.332) 7.619 2.049 ( 23.388 13.503 8.214) 28.228 2.904 ( -0.640 -0.370 -7.151) 7.189 5.167 ( 4.832 2.790 1.075) 5.683 6.153 ( -5.704 -3.293 -1.434) 6.741 6.262 ( -2.436 -1.406 -0.684) 2.895 6.483 ( 20.310 11.726 -16.760) 28.825 7.903 ( -12.322 -7.114 6.179) 15.512 8.203 ( -3.853 -2.225 -3.820) 5.864 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 9.185 5.303 4.142) 11.387 1.138 ( 6.608 3.815 8.234) 11.226 1.849 ( 4.966 2.867 -2.194) 6.139 1.854 ( 7.410 4.278 -2.032) 8.794 2.542 ( 14.623 8.443 -0.217) 16.887 2.993 ( 10.322 5.960 -0.418) 11.926 5.306 ( 6.546 3.779 0.724) 7.593 6.004 ( -5.952 -3.436 -1.166) 6.971 6.206 ( -1.935 -1.117 -0.538) 2.299 6.785 ( 9.238 5.334 -9.897) 14.552 7.599 ( -14.523 -8.385 4.870) 17.462 8.109 ( -2.952 -1.704 -3.063) 4.582 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 6.446 3.721 0.982) 7.507 1.338 ( 8.851 5.110 2.330) 10.483 1.937 ( 3.076 1.776 -1.787) 3.976 2.045 ( 8.755 5.055 -0.664) 10.132 2.721 ( 2.885 1.666 -2.353) 4.079 3.345 ( 16.132 9.314 2.510) 18.796 5.469 ( 6.800 3.926 0.246) 7.856 5.891 ( -2.820 -1.628 -0.872) 3.371 6.176 ( -0.316 -0.182 -0.183) 0.408 6.881 ( 1.577 0.911 -8.087) 8.289 7.260 ( -14.737 -8.509 3.638) 17.402 8.061 ( -0.616 -0.356 -0.456) 0.845 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 4.053 2.340 -0.527) 4.710 1.558 ( 9.339 5.392 -1.316) 10.864 1.991 ( 2.097 1.211 -1.334) 2.765 2.242 ( 7.549 4.358 -0.020) 8.717 2.710 ( -3.178 -1.835 -0.436) 3.695 3.689 ( 11.827 6.828 1.935) 13.793 5.613 ( 5.205 3.005 -0.422) 6.025 5.880 ( 2.178 1.257 -0.574) 2.579 6.191 ( 1.371 0.791 0.448) 1.645 6.806 ( -7.267 -4.196 -6.290) 10.487 6.981 ( -7.508 -4.335 2.624) 9.058 8.069 ( 0.879 0.508 1.180) 1.557 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 2.355 1.359 -1.040) 2.911 1.760 ( 8.338 4.814 -4.399) 10.586 2.032 ( 1.775 1.025 -1.366) 2.463 2.384 ( 4.184 2.415 0.176) 4.834 2.588 ( -6.666 -3.849 1.131) 7.780 3.906 ( 5.976 3.451 2.204) 7.244 5.706 ( 2.888 1.667 -1.008) 3.484 5.985 ( 6.538 3.775 -1.021) 7.618 6.230 ( 1.327 0.766 1.048) 1.856 6.562 ( -10.353 -5.977 0.385) 11.960 6.900 ( -1.189 -0.686 -1.341) 1.919 8.095 ( 0.833 0.481 1.486) 1.770 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 1.014 0.585 -1.014) 1.549 1.911 ( 5.002 2.888 -4.386) 7.252 2.074 ( 2.708 1.563 -4.176) 5.217 2.431 ( -0.284 -0.164 0.185) 0.377 2.437 ( -5.821 -3.361 3.257) 7.469 3.981 ( -0.349 -0.201 2.515) 2.547 5.746 ( 0.719 0.415 -1.161) 1.427 6.147 ( 5.745 3.317 -3.413) 7.460 6.244 ( -0.630 -0.364 1.229) 1.428 6.374 ( -4.464 -2.577 4.648) 6.941 6.894 ( 1.071 0.618 -1.636) 2.051 8.114 ( 0.393 0.227 1.501) 1.568 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -0.210 -0.121 -0.550) 0.601 1.950 ( -1.040 -0.601 0.124) 1.208 2.110 ( 0.119 0.069 -5.075) 5.077 2.370 ( -4.879 -2.817 0.040) 5.635 2.390 ( 2.463 1.422 1.186) 3.081 3.896 ( -7.607 -4.392 2.174) 9.048 5.731 ( -1.887 -1.089 -0.809) 2.324 6.127 ( -4.249 -2.453 0.760) 4.965 6.210 ( -2.231 -1.288 0.894) 2.726 6.467 ( 8.532 4.926 -0.803) 9.885 6.944 ( 3.538 2.043 -0.855) 4.174 8.130 ( 0.707 0.408 1.845) 2.017 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 0.000 12.813 14.585) 19.414 0.897 ( 0.000 13.350 16.226) 21.013 1.456 ( 0.000 10.146 30.863) 32.488 1.532 ( -0.000 -0.404 -8.475) 8.484 1.696 ( -0.000 11.569 -4.728) 12.497 3.025 ( -0.000 -12.100 -9.350) 15.292 5.076 ( 0.000 2.881 1.299) 3.160 5.755 ( -0.000 42.407 -19.995) 46.885 6.295 ( -0.000 -2.983 -1.393) 3.292 6.310 ( -0.000 -2.048 -0.717) 2.169 8.114 ( 0.000 -6.552 3.528) 7.442 8.334 ( -0.000 -5.734 -1.148) 5.848 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -0.999 16.328 9.233) 18.785 1.069 ( -1.173 9.431 17.995) 20.350 1.570 ( 6.597 0.893 -7.952) 10.371 1.710 ( 5.480 6.807 5.830) 10.506 1.927 ( 11.194 19.598 7.770) 23.869 2.881 ( -1.366 -3.753 -9.143) 9.977 5.142 ( 2.634 4.420 1.180) 5.278 6.166 ( 3.004 3.256 -4.906) 6.610 6.267 ( 1.422 1.865 -3.258) 4.015 6.295 ( 6.626 11.226 -10.659) 16.839 7.983 ( -5.603 -11.700 5.410) 14.055 8.245 ( -3.821 -2.099 -3.605) 5.657 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 1.475 14.876 5.313) 15.865 1.176 ( -0.419 7.426 12.202) 14.291 1.717 ( 8.669 3.227 -3.744) 9.979 1.847 ( 3.109 7.002 -1.783) 7.866 2.391 ( 14.689 14.398 2.830) 20.762 2.893 ( 6.183 4.105 -3.883) 8.376 5.264 ( 4.501 6.133 1.021) 7.676 6.059 ( -5.202 -4.788 -0.976) 7.137 6.226 ( -1.646 -1.451 -0.692) 2.300 6.630 ( 11.698 9.130 -10.481) 18.168 7.733 ( -10.080 -12.081 4.947) 16.493 8.143 ( -4.050 -1.654 -3.777) 5.780 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 1.186 9.384 5.620) 11.002 1.317 ( 3.915 9.655 2.910) 10.817 1.874 ( 5.343 2.286 -1.406) 5.979 1.990 ( 5.605 8.808 -1.631) 10.567 2.659 ( 5.998 4.049 -3.092) 7.870 3.180 ( 14.755 11.372 1.883) 18.723 5.425 ( 5.221 7.462 0.812) 9.144 5.927 ( -4.093 -3.215 -0.598) 5.239 6.191 ( -1.118 0.109 -0.681) 1.313 6.805 ( 5.291 1.527 -7.647) 9.423 7.424 ( -12.744 -10.513 3.385) 16.864 8.062 ( -1.660 -1.988 -1.413) 2.950 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 1.302 6.708 2.518) 7.282 1.504 ( 5.368 9.287 0.615) 10.744 1.952 ( 2.917 0.742 -1.341) 3.295 2.197 ( 6.062 9.811 -0.218) 11.535 2.723 ( 0.233 -0.094 -1.819) 1.837 3.551 ( 13.162 9.202 1.504) 16.130 5.591 ( 4.020 7.801 0.416) 8.785 5.866 ( -0.207 -0.510 -0.010) 0.550 6.190 ( 0.253 1.556 -0.379) 1.622 6.818 ( -0.704 -2.143 -7.240) 7.583 7.111 ( -11.981 -7.565 2.986) 14.480 8.039 ( 1.401 -2.254 0.797) 2.771 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 0.408 5.231 0.498) 5.270 1.689 ( 5.564 7.605 -1.627) 9.562 1.998 ( 2.371 0.236 -1.148) 2.645 2.377 ( 3.331 8.196 0.388) 8.855 2.665 ( -4.905 -1.433 -0.740) 5.163 3.822 ( 8.675 4.838 1.673) 10.072 5.717 ( 1.385 7.265 -0.173) 7.398 5.913 ( 4.426 1.938 0.085) 4.832 6.223 ( 1.163 1.843 0.184) 2.187 6.680 ( -8.566 -4.485 -2.904) 10.096 6.923 ( -3.817 -2.452 0.384) 4.553 8.057 ( 2.649 -2.608 1.451) 3.990 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -0.595 4.074 -0.302) 4.128 1.839 ( 4.966 4.827 -4.060) 8.028 2.035 ( 2.010 0.237 -1.786) 2.700 2.461 ( -0.995 1.326 1.527) 2.254 2.555 ( -6.751 3.872 -0.151) 7.784 3.964 ( 3.376 0.706 2.239) 4.112 5.787 ( -1.271 6.409 -0.601) 6.561 6.040 ( 6.773 1.760 -1.175) 7.096 6.257 ( 0.655 1.383 0.411) 1.585 6.482 ( -8.290 -2.240 2.284) 8.886 6.881 ( -0.005 -0.228 -1.599) 1.615 8.079 ( 2.471 -2.880 1.344) 4.026 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -1.515 2.779 -0.457) 3.198 1.930 ( 2.666 0.901 -2.491) 3.758 2.061 ( 1.790 -0.282 -4.744) 5.078 2.402 ( -2.789 -1.945 3.420) 4.823 2.513 ( -6.924 7.959 -0.470) 10.559 3.964 ( -3.138 -2.858 2.259) 4.808 5.799 ( -3.738 4.816 -0.617) 6.128 6.106 ( 1.098 -3.971 -1.051) 4.252 6.278 ( -2.019 2.143 -0.979) 3.103 6.417 ( 1.604 3.759 3.484) 5.371 6.900 ( 2.413 0.793 -1.505) 2.952 8.095 ( 2.338 -2.852 1.335) 3.922 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 0.000 15.669 7.288) 17.281 1.251 ( 0.000 11.384 11.602) 16.255 1.497 ( -0.000 3.733 -9.690) 10.384 1.749 ( 0.000 7.260 8.182) 10.939 2.069 ( 0.000 22.046 5.644) 22.757 2.826 ( -0.000 -2.267 -8.668) 8.959 5.173 ( 0.000 5.865 0.984) 5.947 6.157 ( -0.000 -1.960 -0.982) 2.192 6.251 ( -0.000 -3.098 -0.541) 3.145 6.342 ( -0.000 18.595 -12.862) 22.610 7.909 ( 0.000 -14.600 4.931) 15.410 8.250 ( -0.000 -1.593 -4.476) 4.751 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -1.305 14.598 2.100) 14.806 1.331 ( -2.819 6.457 7.129) 10.023 1.618 ( 6.782 8.922 -2.477) 11.477 1.860 ( 2.604 5.818 0.114) 6.375 2.369 ( 6.970 17.593 1.966) 19.026 2.841 ( 3.609 5.782 -2.946) 7.425 5.270 ( 2.932 7.340 0.860) 7.951 6.081 ( -3.259 -5.074 -1.060) 6.123 6.220 ( -0.035 -2.403 -0.555) 2.467 6.541 ( 6.416 11.228 -7.918) 15.163 7.731 ( -4.161 -15.028 4.272) 16.167 8.187 ( -3.554 -1.267 -4.749) 6.065 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 0.286 6.037 4.586) 7.587 1.403 ( -0.712 13.140 -0.319) 13.163 1.818 ( 4.876 6.114 1.328) 7.932 1.984 ( 5.227 8.554 -2.599) 10.356 2.596 ( 5.299 5.944 -3.004) 8.511 3.088 ( 10.648 14.731 2.371) 18.330 5.426 ( 4.754 8.948 0.920) 10.174 5.962 ( -4.026 -3.812 -1.005) 5.634 6.200 ( -0.128 -0.560 -0.939) 1.101 6.704 ( 5.620 2.724 -4.931) 7.957 7.493 ( -7.370 -13.328 3.074) 15.537 8.086 ( -4.155 -1.819 -3.294) 5.605 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 0.064 6.737 5.093) 8.446 1.540 ( 2.544 11.195 -1.892) 11.635 1.908 ( 2.320 1.213 -0.268) 2.632 2.204 ( 6.397 12.182 -0.232) 13.761 2.696 ( 2.807 1.820 -2.044) 3.920 3.441 ( 11.331 12.259 1.301) 16.745 5.612 ( 4.550 9.878 0.972) 10.918 5.876 ( -1.974 -1.331 -0.264) 2.395 6.201 ( 0.230 1.358 -1.210) 1.833 6.765 ( 2.247 -1.363 -4.597) 5.295 7.228 ( -9.477 -10.016 2.090) 13.947 8.003 ( -1.303 -3.028 -0.866) 3.408 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -0.863 6.828 2.514) 7.327 1.698 ( 3.328 9.111 -0.337) 9.706 1.951 ( 2.400 -0.193 -0.855) 2.555 2.411 ( 3.567 8.896 0.776) 9.616 2.727 ( -1.219 3.403 -1.556) 3.936 3.721 ( 8.988 6.271 0.821) 10.990 5.777 ( 2.289 9.295 0.855) 9.611 5.875 ( 1.819 1.430 0.447) 2.356 6.225 ( 0.759 1.950 -1.144) 2.385 6.734 ( -2.503 -1.929 -4.026) 5.118 6.993 ( -7.553 -5.347 1.558) 9.384 7.974 ( 2.109 -4.340 0.656) 4.870 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -1.875 6.334 1.247) 6.722 1.823 ( 2.215 5.872 -1.452) 6.441 1.990 ( 2.608 -0.315 -1.018) 2.818 2.483 ( -0.599 -0.568 1.124) 1.394 2.744 ( -4.879 11.928 -1.233) 12.946 3.891 ( 5.951 0.665 1.387) 6.147 5.886 ( -0.330 8.166 0.643) 8.197 5.956 ( 4.396 2.078 0.214) 4.867 6.253 ( 0.967 0.864 -0.978) 1.624 6.617 ( -7.569 -0.033 -0.120) 7.570 6.886 ( -1.731 -0.986 -0.707) 2.114 7.982 ( 3.709 -5.141 0.932) 6.408 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -3.118 5.268 0.708) 6.162 1.893 ( 1.875 2.152 -2.219) 3.615 2.020 ( 1.523 -0.629 -2.109) 2.676 2.433 ( -2.210 -2.495 2.080) 3.929 2.763 ( -8.303 13.781 -0.818) 16.109 3.953 ( 1.757 -3.053 1.709) 3.915 5.929 ( -3.418 6.285 0.533) 7.175 6.039 ( 2.816 -0.854 -0.582) 3.000 6.279 ( 2.030 0.721 -1.811) 2.814 6.517 ( -5.800 4.553 2.802) 7.888 6.873 ( 0.605 0.285 -1.544) 1.683 7.999 ( 3.890 -5.283 0.761) 6.605 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -0.000 1.315 -3.269) 3.523 1.432 ( -0.000 12.974 0.227) 12.976 1.686 ( 0.000 14.380 1.735) 14.484 1.883 ( -0.000 3.485 -0.874) 3.592 2.477 ( -0.000 12.399 -0.963) 12.436 2.903 ( 0.000 14.252 2.404) 14.453 5.321 ( -0.000 7.956 0.346) 7.963 6.057 ( -0.000 -4.685 -2.000) 5.094 6.188 ( 0.000 -2.484 -0.121) 2.487 6.573 ( -0.000 8.015 -3.714) 8.834 7.617 ( 0.000 -15.928 3.150) 16.237 8.195 ( -0.000 -0.974 -5.055) 5.148 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 1.830 2.455 -2.647) 4.047 1.538 ( -0.940 10.899 -3.387) 11.452 1.851 ( 0.995 8.367 2.886) 8.906 1.955 ( 5.739 7.253 -2.975) 9.716 2.583 ( 2.080 5.253 -0.767) 5.702 3.138 ( 4.583 19.458 3.819) 20.352 5.441 ( 3.769 8.629 0.180) 9.418 5.981 ( -2.645 -3.388 -2.419) 4.932 6.179 ( 0.971 -1.061 -0.354) 1.481 6.650 ( 2.569 2.574 -0.802) 3.724 7.439 ( -2.661 -15.045 1.974) 15.405 8.136 ( -3.729 -0.942 -4.321) 5.784 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 4.123 3.776 1.075) 5.693 1.621 ( 0.299 9.749 -4.723) 10.837 1.902 ( 0.350 1.680 0.651) 1.836 2.199 ( 8.226 12.158 -0.211) 14.681 2.660 ( 2.805 1.964 0.208) 3.431 3.433 ( 6.151 16.069 1.771) 17.297 5.622 ( 5.797 9.290 0.344) 10.955 5.902 ( -2.469 -1.101 -1.714) 3.201 6.195 ( 1.197 0.740 -1.001) 1.727 6.700 ( 2.415 -1.040 -0.253) 2.642 7.238 ( -4.356 -12.503 1.119) 13.287 8.033 ( -4.884 -1.481 -2.671) 5.760 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 2.411 4.697 2.091) 5.678 1.734 ( 2.845 8.787 -2.341) 9.528 1.920 ( 0.581 0.156 0.069) 0.606 2.427 ( 4.227 7.320 0.742) 8.485 2.748 ( 4.191 5.291 -0.246) 6.754 3.668 ( 5.162 8.993 0.362) 10.376 5.813 ( 4.401 8.382 0.561) 9.484 5.877 ( 0.111 1.883 -0.474) 1.945 6.223 ( 0.919 1.295 -1.392) 2.111 6.720 ( 1.358 -0.855 -0.929) 1.854 7.047 ( -5.130 -8.307 0.804) 9.796 7.935 ( -2.663 -2.900 -0.883) 4.035 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -0.058 5.776 1.218) 5.904 1.855 ( 1.392 5.982 -0.237) 6.147 1.936 ( 2.186 -0.714 -0.499) 2.353 2.483 ( -0.371 -1.147 0.573) 1.335 2.916 ( 1.993 14.244 -0.588) 14.395 3.801 ( 4.237 0.950 0.387) 4.359 5.913 ( 2.525 3.327 0.551) 4.213 5.963 ( 1.727 6.282 0.572) 6.540 6.237 ( 0.481 -0.342 -1.440) 1.557 6.724 ( -2.078 2.608 -0.606) 3.389 6.912 ( -3.099 -3.072 0.150) 4.366 7.880 ( 1.025 -4.794 0.166) 4.905 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -2.426 6.066 1.112) 6.627 1.895 ( -0.083 1.679 -0.600) 1.785 1.975 ( 2.226 -0.774 -0.934) 2.535 2.442 ( -1.358 -2.476 0.750) 2.922 3.052 ( -5.460 16.829 -0.650) 17.705 3.855 ( 4.419 -5.054 0.879) 6.771 5.990 ( 1.772 0.909 0.302) 2.014 6.030 ( -0.111 5.317 1.073) 5.425 6.233 ( 1.497 -1.872 -1.818) 3.008 6.696 ( -5.832 6.764 1.341) 9.032 6.872 ( -0.510 0.004 -1.282) 1.379 7.869 ( 3.688 -5.853 0.308) 6.925 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -0.000 1.693 -4.258) 4.582 1.627 ( -0.000 7.900 -8.147) 11.348 1.908 ( -0.000 1.302 -1.620) 2.078 1.985 ( 0.000 13.045 1.933) 13.188 2.614 ( 0.000 2.982 2.418) 3.839 3.322 ( 0.000 20.672 3.423) 20.953 5.486 ( -0.000 7.691 -0.449) 7.704 5.966 ( -0.000 -2.187 -3.968) 4.531 6.161 ( 0.000 -0.083 0.449) 0.457 6.650 ( 0.000 0.610 2.433) 2.508 7.310 ( 0.000 -14.828 0.538) 14.838 8.153 ( -0.000 -0.413 -4.120) 4.141 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 4.280 2.377 -2.047) 5.306 1.671 ( 0.943 5.796 -8.876) 10.643 1.922 ( -0.224 2.017 0.679) 2.140 2.180 ( 6.652 11.428 0.613) 13.237 2.646 ( 0.782 0.218 3.379) 3.475 3.547 ( 1.739 17.498 1.662) 17.663 5.605 ( 5.019 7.149 -0.518) 8.750 5.924 ( -1.576 -0.118 -3.677) 4.002 6.180 ( 1.122 1.312 0.103) 1.729 6.663 ( 0.882 -1.614 3.458) 3.916 7.153 ( -1.280 -12.901 -0.421) 12.971 8.102 ( -3.999 -0.209 -3.156) 5.099 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 6.166 2.688 0.093) 6.727 1.746 ( 3.343 5.572 -5.042) 8.225 1.935 ( -0.882 1.724 0.903) 2.136 2.415 ( 6.086 7.763 0.300) 9.869 2.691 ( 5.022 0.709 2.223) 5.538 3.727 ( 0.867 11.656 0.138) 11.689 5.789 ( 6.995 6.729 -0.416) 9.715 5.901 ( -0.871 2.250 -2.205) 3.269 6.216 ( 0.976 1.565 -0.348) 1.877 6.674 ( 1.967 -2.303 2.556) 3.963 7.010 ( -1.579 -9.409 -0.447) 9.551 7.999 ( -5.979 -0.405 -1.891) 6.284 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 4.724 3.036 -0.141) 5.617 1.858 ( 4.015 3.875 -1.005) 5.669 1.932 ( -1.465 1.428 0.486) 2.103 2.483 ( -0.730 -0.870 0.463) 1.226 2.911 ( 11.826 8.788 0.498) 14.742 3.804 ( -1.554 4.396 -0.367) 4.677 5.918 ( 1.164 3.892 -0.559) 4.101 5.968 ( 4.310 4.876 -0.482) 6.526 6.231 ( -0.427 -0.066 -0.072) 0.439 6.718 ( 4.078 0.024 0.616) 4.124 6.911 ( -1.233 -4.662 0.192) 4.826 7.884 ( -5.131 -1.432 -0.721) 5.376 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 2.488 4.310 -0.000) 4.977 1.914 ( -0.234 -0.406 -0.000) 0.469 1.935 ( 0.571 0.989 -0.000) 1.143 2.442 ( -1.287 -2.229 -0.000) 2.574 3.213 ( 7.754 13.431 -0.000) 15.508 3.765 ( -2.364 -4.094 -0.000) 4.728 5.979 ( 1.456 2.521 -0.000) 2.911 6.064 ( 2.210 3.828 -0.000) 4.421 6.200 ( -1.319 -2.285 -0.000) 2.638 6.801 ( 1.943 3.366 -0.000) 3.887 6.874 ( -0.213 -0.368 -0.000) 0.425 7.796 ( -1.728 -2.993 -0.000) 3.456 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -0.000 2.138 -2.160) 3.039 1.674 ( -0.000 3.478 -9.161) 9.799 1.954 ( 0.000 2.747 1.357) 3.063 2.228 ( 0.000 9.711 0.834) 9.747 2.643 ( 0.000 -2.134 4.190) 4.702 3.709 ( -0.000 15.296 0.562) 15.306 5.616 ( -0.000 5.157 -0.573) 5.189 5.933 ( -0.000 1.611 -4.141) 4.443 6.191 ( 0.000 2.456 0.449) 2.496 6.646 ( 0.000 -3.046 4.601) 5.518 7.036 ( -0.000 -10.944 -1.414) 11.035 8.131 ( -0.000 0.245 -2.736) 2.747 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 5.078 2.038 -0.811) 5.531 1.715 ( 2.954 3.896 -4.564) 6.688 1.978 ( -0.802 2.360 1.149) 2.745 2.379 ( 6.091 7.493 0.112) 9.657 2.628 ( 1.164 -3.758 3.181) 5.060 3.844 ( -0.353 10.915 -0.614) 10.938 5.719 ( 6.173 4.303 -0.369) 7.534 5.939 ( -0.908 3.565 -2.743) 4.589 6.224 ( 0.472 2.419 0.054) 2.465 6.623 ( 0.748 -4.762 3.157) 5.762 6.935 ( -0.302 -7.114 -0.909) 7.178 8.089 ( -4.090 0.448 -1.979) 4.565 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 6.664 1.389 -0.897) 6.866 1.817 ( 4.104 3.573 -0.142) 5.443 1.982 ( -1.464 1.968 0.849) 2.596 2.488 ( -0.292 -0.509 -0.114) 0.598 2.732 ( 13.125 2.135 1.302) 13.361 3.903 ( -2.663 5.802 -1.136) 6.484 5.892 ( 7.624 3.716 -0.648) 8.506 5.961 ( -0.505 4.251 -0.945) 4.384 6.246 ( -0.341 1.167 0.464) 1.301 6.614 ( 4.010 -4.790 0.541) 6.270 6.880 ( -0.020 -2.844 0.454) 2.880 7.992 ( -6.641 0.479 -1.132) 6.754 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -0.000 1.952 -0.042) 1.952 1.723 ( -0.000 4.964 -0.660) 5.008 2.010 ( 0.000 1.783 1.099) 2.095 2.384 ( -0.000 5.081 0.116) 5.082 2.581 ( 0.000 -5.402 1.775) 5.686 3.941 ( -0.000 7.626 -1.527) 7.777 5.694 ( 0.000 2.754 0.314) 2.771 5.988 ( -0.000 5.344 -1.386) 5.521 6.244 ( -0.000 2.099 -0.426) 2.141 6.562 ( 0.000 -6.808 0.444) 6.823 6.883 ( 0.000 -3.346 0.437) 3.374 8.126 ( -0.000 0.509 -1.716) 1.789 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 4.405 1.241 0.033) 4.576 1.807 ( 2.288 5.486 2.857) 6.595 2.022 ( -0.770 1.257 1.292) 1.960 2.472 ( 2.493 0.833 -0.930) 2.788 2.551 ( 5.720 -3.671 0.707) 6.834 3.983 ( -1.259 3.485 -1.980) 4.201 5.782 ( 6.627 1.927 0.389) 6.912 6.032 ( -1.548 5.591 0.564) 5.829 6.261 ( 0.260 1.133 -0.393) 1.227 6.502 ( 1.808 -6.346 -2.121) 6.931 6.866 ( -0.064 -0.516 1.516) 1.603 8.091 ( -3.910 0.567 -1.311) 4.163 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 0.000 1.171 1.016) 1.550 1.866 ( 0.000 6.622 5.227) 8.436 2.044 ( 0.000 1.059 2.520) 2.733 2.433 ( -0.000 -0.323 -0.185) 0.372 2.462 ( -0.000 -5.457 -2.390) 5.957 4.003 ( -0.000 -0.380 -2.455) 2.484 5.735 ( 0.000 0.801 1.113) 1.371 6.117 ( 0.000 5.437 3.103) 6.260 6.255 ( -0.000 -0.698 -1.180) 1.371 6.417 ( -0.000 -4.081 -4.799) 6.299 6.878 ( 0.000 1.343 1.982) 2.394 8.127 ( -0.000 0.466 -1.411) 1.486 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 0.000 -0.000 19.192) 19.192 0.732 ( 0.000 -0.000 19.192) 19.192 1.452 ( 0.000 -0.000 37.874) 37.874 1.536 ( -0.000 0.000 -7.925) 7.925 1.536 ( -0.000 0.000 -7.925) 7.925 3.215 ( -0.000 0.000 -19.980) 19.980 5.052 ( 0.000 -0.000 1.355) 1.355 5.052 ( 0.000 -0.000 1.355) 1.355 6.330 ( -0.000 0.000 -0.729) 0.729 6.330 ( -0.000 0.000 -0.729) 0.729 8.170 ( 0.000 -0.000 2.351) 2.351 8.426 ( -0.000 0.000 -0.999) 0.999 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 2.167 1.251 17.683) 17.859 0.989 ( 7.154 4.130 19.628) 21.295 1.545 ( 4.736 2.734 -9.623) 11.068 1.581 ( 3.735 2.156 -6.947) 8.177 1.694 ( 12.127 7.002 28.121) 31.415 2.957 ( -9.065 -5.234 -13.177) 16.829 5.087 ( 2.488 1.436 1.189) 3.109 5.663 ( 36.144 20.868 -14.610) 44.219 6.281 ( -3.722 -2.149 -0.894) 4.390 6.308 ( -1.628 -0.940 -0.708) 2.009 8.140 ( -3.996 -2.307 3.358) 5.707 8.316 ( -7.291 -4.209 -1.276) 8.515 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 7.042 4.066 12.261) 14.713 1.134 ( 1.438 0.830 17.848) 17.925 1.675 ( 5.896 3.404 -5.361) 8.666 1.678 ( 7.645 4.414 -6.424) 10.917 2.143 ( 18.752 10.827 11.792) 24.656 2.829 ( 1.300 0.751 -9.551) 9.668 5.176 ( 4.742 2.738 0.929) 5.554 6.142 ( -4.975 -2.872 -0.964) 5.825 6.256 ( -2.412 -1.393 -0.670) 2.865 6.348 ( 21.997 12.700 -12.920) 28.497 7.954 ( -12.421 -7.171 5.220) 15.263 8.171 ( -3.981 -2.298 -3.335) 5.679 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 7.111 4.105 6.758) 10.634 1.227 ( 3.598 2.077 11.131) 11.881 1.825 ( 5.528 3.191 -2.742) 6.947 1.830 ( 8.291 4.787 -3.195) 10.092 2.538 ( 11.489 6.633 -0.665) 13.283 2.984 ( 13.390 7.730 -1.467) 15.530 5.312 ( 6.430 3.713 0.706) 7.459 5.998 ( -5.907 -3.411 -0.117) 6.822 6.200 ( -1.861 -1.075 -0.601) 2.231 6.699 ( 10.342 5.971 -9.057) 14.988 7.636 ( -15.015 -8.669 3.281) 17.646 8.090 ( -2.213 -1.278 -1.029) 2.755 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 5.198 3.001 2.747) 6.600 1.379 ( 6.692 3.863 6.648) 10.193 1.920 ( 3.277 1.892 -1.779) 4.182 2.036 ( 9.301 5.370 -1.327) 10.822 2.698 ( 3.439 1.986 -2.843) 4.884 3.360 ( 16.254 9.384 0.901) 18.791 5.472 ( 6.591 3.806 0.437) 7.624 5.890 ( -2.795 -1.613 0.704) 3.303 6.174 ( -0.121 -0.070 -0.375) 0.400 6.807 ( 1.682 0.971 -8.073) 8.303 7.288 ( -14.600 -8.429 2.497) 17.043 8.065 ( -0.059 -0.034 1.407) 1.409 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 3.448 1.991 0.523) 4.016 1.563 ( 7.323 4.228 2.570) 8.838 1.979 ( 2.253 1.301 -1.395) 2.952 2.240 ( 7.777 4.490 -0.364) 8.988 2.700 ( -2.495 -1.441 -1.862) 3.430 3.703 ( 12.030 6.946 1.234) 13.946 5.611 ( 4.901 2.830 -0.084) 5.660 5.883 ( 1.965 1.135 1.153) 2.545 6.194 ( 1.671 0.965 0.160) 1.936 6.748 ( -4.974 -2.872 -6.374) 8.579 7.003 ( -8.927 -5.154 2.278) 10.556 8.084 ( 0.907 0.524 2.131) 2.375 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 2.116 1.221 -0.555) 2.505 1.730 ( 6.690 3.862 -2.182) 8.027 2.021 ( 1.571 0.907 -1.218) 2.185 2.385 ( 4.265 2.462 0.032) 4.925 2.591 ( -5.726 -3.306 -0.410) 6.624 3.925 ( 6.232 3.598 2.050) 7.482 5.699 ( 2.665 1.539 -0.722) 3.161 5.981 ( 5.737 3.312 0.148) 6.626 6.238 ( 1.548 0.894 0.805) 1.961 6.564 ( -8.240 -4.758 0.061) 9.515 6.889 ( -1.903 -1.099 -1.007) 2.418 8.110 ( 0.700 0.404 1.760) 1.937 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 0.000 9.115 16.673) 19.002 1.040 ( 0.000 11.771 15.343) 19.338 1.446 ( -0.000 -0.865 -10.570) 10.605 1.611 ( -0.000 8.124 -4.815) 9.443 1.762 ( 0.000 9.794 27.448) 29.143 2.914 ( -0.000 -9.893 -14.968) 17.942 5.088 ( 0.000 2.812 1.164) 3.043 5.615 ( -0.000 38.927 -11.477) 40.583 6.284 ( -0.000 -3.695 -1.095) 3.854 6.304 ( -0.000 -2.019 -0.597) 2.106 8.145 ( 0.000 -5.207 3.276) 6.152 8.321 ( -0.000 -7.095 -1.734) 7.304 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -1.709 12.070 12.020) 17.120 1.224 ( -0.174 6.816 15.812) 17.219 1.491 ( 8.548 1.972 -9.272) 12.765 1.703 ( 1.679 9.256 -5.482) 10.888 2.048 ( 10.255 13.568 16.773) 23.887 2.786 ( -0.297 -1.857 -11.789) 11.938 5.152 ( 2.601 4.381 0.940) 5.181 6.102 ( 13.079 20.176 -8.118) 25.378 6.214 ( -0.435 0.260 -3.923) 3.955 6.269 ( -1.109 -2.212 -0.725) 2.578 8.030 ( -5.290 -11.570 4.953) 13.652 8.211 ( -3.994 -2.870 -3.835) 6.237 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 1.267 11.260 6.770) 13.199 1.284 ( -1.447 4.488 10.700) 11.693 1.688 ( 9.626 5.131 -2.085) 11.106 1.818 ( 3.068 7.784 -4.451) 9.477 2.417 ( 11.249 10.269 2.699) 15.468 2.857 ( 8.779 7.613 -4.068) 12.312 5.272 ( 4.447 6.179 0.780) 7.653 6.054 ( -5.077 -4.911 -0.192) 7.066 6.220 ( -1.669 -1.509 -0.634) 2.337 6.546 ( 12.225 10.950 -7.924) 18.225 7.771 ( -10.540 -12.422 3.377) 16.638 8.115 ( -3.109 -1.842 -2.283) 4.274 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 1.143 9.462 3.307) 10.088 1.372 ( 2.712 5.717 8.107) 10.284 1.866 ( 4.679 2.811 -0.379) 5.472 1.971 ( 6.585 9.605 -2.672) 11.948 2.632 ( 5.874 3.875 -2.930) 7.622 3.190 ( 14.987 12.040 0.262) 19.226 5.432 ( 5.091 7.562 0.719) 9.144 5.928 ( -3.815 -3.352 0.663) 5.121 6.185 ( -0.999 -0.015 -0.658) 1.197 6.740 ( 4.883 2.459 -6.650) 8.609 7.448 ( -12.929 -10.615 1.855) 16.831 8.058 ( -0.526 -2.182 0.553) 2.311 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 0.203 6.951 1.962) 7.225 1.531 ( 4.644 6.994 5.261) 9.908 1.940 ( 2.768 0.954 -1.220) 3.172 2.193 ( 6.333 10.343 -0.606) 12.142 2.703 ( 0.615 0.290 -2.626) 2.712 3.559 ( 13.329 9.282 0.420) 16.248 5.595 ( 3.718 7.908 0.546) 8.755 5.873 ( -0.078 -0.707 1.594) 1.746 6.186 ( 0.570 1.411 -0.448) 1.586 6.756 ( -0.883 -1.289 -6.523) 6.708 7.133 ( -11.682 -7.665 1.937) 14.106 8.052 ( 1.874 -2.583 2.026) 3.780 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -0.384 5.515 0.753) 5.580 1.688 ( 3.904 6.305 1.441) 7.554 1.988 ( 2.381 0.340 -1.148) 2.665 2.379 ( 3.373 8.655 0.103) 9.290 2.652 ( -4.307 -1.256 -2.059) 4.936 3.836 ( 9.103 4.915 1.249) 10.420 5.717 ( 0.962 7.426 0.102) 7.489 5.920 ( 4.018 1.574 1.503) 4.569 6.224 ( 1.591 1.635 0.047) 2.281 6.652 ( -6.236 -2.984 -3.221) 7.627 6.928 ( -5.183 -3.211 0.700) 6.137 8.072 ( 2.647 -2.944 1.882) 4.383 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 0.000 11.572 9.465) 14.950 1.337 ( 0.000 3.969 3.715) 5.436 1.417 ( -0.000 9.940 -4.329) 10.842 1.763 ( -0.000 8.101 -4.196) 9.123 2.161 ( 0.000 15.958 13.379) 20.824 2.743 ( -0.000 1.467 -9.405) 9.518 5.181 ( 0.000 5.707 0.722) 5.753 6.152 ( -0.000 0.021 -0.083) 0.086 6.245 ( -0.000 18.970 -8.680) 20.861 6.247 ( -0.000 -3.017 -0.314) 3.034 7.952 ( 0.000 -14.911 4.448) 15.560 8.209 ( -0.000 -2.178 -4.564) 5.057 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -1.765 9.783 1.616) 10.071 1.363 ( 0.451 3.518 0.247) 3.556 1.623 ( 6.539 11.974 3.687) 14.132 1.836 ( 1.628 6.087 -5.041) 8.069 2.396 ( 5.136 12.324 3.623) 13.835 2.819 ( 4.598 10.978 -1.915) 12.055 5.276 ( 3.040 7.202 0.503) 7.834 6.072 ( -3.092 -5.605 -1.027) 6.483 6.215 ( -0.217 -2.398 -0.370) 2.436 6.486 ( 6.340 13.743 -4.087) 15.677 7.766 ( -4.274 -15.646 3.310) 16.553 8.147 ( -3.050 -1.471 -4.134) 5.344 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 2.462 8.647 -0.397) 8.999 1.423 ( -0.061 5.992 2.612) 6.536 1.839 ( 3.298 5.835 3.243) 7.446 1.952 ( 6.383 10.134 -3.957) 12.613 2.576 ( 4.652 5.876 -1.411) 7.626 3.104 ( 10.234 15.779 1.191) 18.845 5.433 ( 4.904 8.892 0.498) 10.167 5.955 ( -3.507 -4.213 -0.489) 5.503 6.193 ( -0.261 -0.682 -0.601) 0.946 6.670 ( 4.673 4.283 -2.633) 6.864 7.515 ( -7.619 -13.711 1.723) 15.780 8.062 ( -2.956 -2.068 -1.900) 4.077 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -0.704 7.293 1.192) 7.423 1.542 ( 4.862 8.016 2.818) 9.789 1.907 ( 1.622 1.199 -0.038) 2.018 2.201 ( 6.761 12.988 -0.401) 14.648 2.679 ( 2.532 2.543 -1.707) 3.973 3.448 ( 11.023 12.306 0.230) 16.523 5.620 ( 4.627 9.890 0.617) 10.936 5.878 ( -1.387 -1.690 0.682) 2.290 6.192 ( 0.256 1.122 -0.679) 1.336 6.729 ( 1.061 -0.133 -3.284) 3.453 7.241 ( -9.395 -10.159 0.912) 13.868 8.002 ( -0.222 -3.513 0.510) 3.556 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -1.140 6.836 1.027) 7.006 1.709 ( 3.266 7.622 2.792) 8.750 1.943 ( 2.176 -0.035 -0.847) 2.335 2.415 ( 3.650 9.235 0.241) 9.933 2.711 ( -1.416 3.893 -2.053) 4.623 3.726 ( 9.295 6.297 0.367) 11.233 5.784 ( 2.207 9.424 0.692) 9.703 5.884 ( 2.031 1.000 1.518) 2.726 6.217 ( 0.959 1.613 -0.540) 1.953 6.700 ( -2.549 -0.517 -3.387) 4.270 7.004 ( -7.624 -5.770 0.918) 9.606 7.984 ( 2.512 -4.847 1.410) 5.638 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -0.000 1.653 -7.213) 7.400 1.429 ( -0.000 9.112 -1.320) 9.207 1.715 ( 0.000 13.829 4.243) 14.465 1.855 ( -0.000 3.658 -4.556) 5.843 2.483 ( 0.000 10.098 2.076) 10.309 2.925 ( 0.000 17.530 2.488) 17.706 5.323 ( -0.000 7.703 0.034) 7.703 6.037 ( -0.000 -5.457 -2.393) 5.959 6.189 ( 0.000 -2.324 0.146) 2.328 6.558 ( -0.000 10.171 0.221) 10.173 7.642 ( 0.000 -16.772 2.335) 16.934 8.151 ( -0.000 -0.905 -4.696) 4.783 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 3.667 3.157 -4.160) 6.382 1.501 ( 0.030 7.810 -5.087) 9.321 1.873 ( 0.558 4.343 1.090) 4.513 1.933 ( 6.219 11.498 -0.906) 13.104 2.587 ( 1.404 6.216 1.529) 6.553 3.167 ( 4.027 19.473 2.660) 20.062 5.441 ( 3.956 8.398 -0.183) 9.285 5.958 ( -2.034 -4.036 -2.438) 5.135 6.177 ( 0.621 -0.972 0.047) 1.154 6.656 ( 1.788 4.025 2.190) 4.918 7.453 ( -2.622 -15.851 1.074) 16.102 8.099 ( -3.194 -0.749 -3.742) 4.977 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 6.054 3.576 0.471) 7.047 1.579 ( 1.635 8.515 -4.622) 9.826 1.906 ( 0.312 1.579 0.244) 1.628 2.199 ( 8.247 12.601 0.099) 15.060 2.666 ( 1.882 2.993 1.132) 3.712 3.445 ( 5.569 15.740 0.834) 16.717 5.623 ( 6.079 9.099 -0.160) 10.944 5.888 ( -1.608 -1.586 -1.370) 2.641 6.190 ( 0.905 0.717 -0.154) 1.165 6.706 ( 1.000 0.075 1.630) 1.914 7.244 ( -4.207 -12.993 0.200) 13.659 8.012 ( -3.974 -1.536 -1.780) 4.618 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 2.464 4.268 0.000) 4.929 1.723 ( 4.698 8.137 -0.000) 9.396 1.920 ( 0.200 0.347 -0.000) 0.400 2.430 ( 4.322 7.485 -0.000) 8.643 2.747 ( 3.364 5.826 -0.000) 6.728 3.670 ( 5.112 8.855 -0.000) 10.224 5.816 ( 4.719 8.173 -0.000) 9.438 5.875 ( 0.875 1.515 -0.000) 1.749 6.217 ( 0.730 1.265 -0.000) 1.461 6.716 ( 0.075 0.130 -0.000) 0.151 7.051 ( -4.916 -8.515 -0.000) 9.832 7.931 ( -1.877 -3.251 -0.000) 3.753 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -0.000 2.851 -4.591) 5.404 1.543 ( -0.000 6.011 -10.068) 11.726 1.901 ( -0.000 2.862 -0.015) 2.862 2.003 ( 0.000 12.322 2.079) 12.496 2.640 ( 0.000 3.972 3.296) 5.162 3.348 ( 0.000 19.844 2.219) 19.968 5.481 ( -0.000 7.518 -0.552) 7.538 5.931 ( -0.000 -2.703 -3.559) 4.470 6.165 ( 0.000 0.019 0.524) 0.525 6.684 ( 0.000 1.446 5.049) 5.252 7.311 ( 0.000 -15.736 -0.215) 15.738 8.116 ( -0.000 0.066 -3.866) 3.866 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 5.365 3.075 -1.888) 6.466 1.593 ( 2.397 5.998 -8.144) 10.395 1.930 ( -0.315 2.598 1.003) 2.802 2.186 ( 6.178 11.144 0.755) 12.764 2.676 ( 0.270 0.727 3.221) 3.313 3.558 ( 1.498 16.715 0.686) 16.795 5.600 ( 5.085 7.089 -0.587) 8.744 5.894 ( -0.984 -0.329 -2.958) 3.135 6.182 ( 0.876 1.314 0.362) 1.620 6.703 ( 0.147 -1.326 5.239) 5.406 7.147 ( -1.036 -13.534 -1.073) 13.616 8.074 ( -3.646 0.218 -2.848) 4.632 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -0.000 3.078 -1.481) 3.416 1.603 ( -0.000 5.825 -6.282) 8.567 1.967 ( 0.000 2.736 1.406) 3.076 2.235 ( 0.000 9.328 0.651) 9.351 2.677 ( 0.000 -2.365 3.157) 3.944 3.710 ( -0.000 14.477 -0.356) 14.482 5.612 ( -0.000 5.357 -0.268) 5.364 5.901 ( -0.000 1.943 -2.840) 3.441 6.194 ( 0.000 2.238 0.157) 2.244 6.693 ( 0.000 -4.039 5.698) 6.985 7.022 ( -0.000 -10.909 -1.803) 11.057 8.106 ( -0.000 0.770 -2.660) 2.769 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 0.000 -0.000 17.814) 17.814 0.900 ( 0.000 -0.000 17.814) 17.814 1.455 ( -0.000 0.000 -9.989) 9.989 1.455 ( -0.000 0.000 -9.989) 9.989 1.781 ( 0.000 -0.000 35.008) 35.008 3.020 ( -0.000 0.000 -23.098) 23.098 5.064 ( 0.000 -0.000 1.085) 1.085 5.064 ( 0.000 -0.000 1.085) 1.085 6.324 ( -0.000 0.000 -0.583) 0.583 6.324 ( -0.000 0.000 -0.583) 0.583 8.190 ( 0.000 -0.000 2.047) 2.047 8.417 ( -0.000 0.000 -0.968) 0.968 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 0.960 0.554 17.547) 17.582 1.156 ( 8.470 4.890 17.523) 20.067 1.444 ( 4.691 2.709 -12.493) 13.617 1.509 ( 4.501 2.599 -8.977) 10.373 1.946 ( 6.507 3.757 27.052) 28.076 2.818 ( -6.538 -3.775 -17.328) 18.901 5.096 ( 2.432 1.404 0.824) 2.927 5.564 ( 32.597 18.820 -7.761) 38.432 6.274 ( -3.854 -2.225 -0.596) 4.490 6.302 ( -1.636 -0.944 -0.539) 1.964 8.168 ( -2.793 -1.613 2.790) 4.265 8.303 ( -8.287 -4.785 -1.500) 9.686 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 4.778 2.759 13.684) 14.755 1.279 ( -0.345 -0.199 12.781) 12.787 1.619 ( 6.958 4.017 -7.028) 10.675 1.621 ( 10.274 5.932 -4.912) 12.840 2.247 ( 12.823 7.403 10.648) 18.238 2.737 ( 4.214 2.433 -10.302) 11.394 5.183 ( 4.708 2.718 0.598) 5.469 6.138 ( -3.519 -2.032 0.067) 4.064 6.250 ( -2.424 -1.400 -0.521) 2.847 6.251 ( 21.488 12.406 -8.476) 26.220 7.994 ( -13.169 -7.603 3.241) 15.548 8.146 ( -3.152 -1.820 -1.841) 4.079 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 4.971 2.870 8.342) 10.126 1.327 ( 2.431 1.403 10.193) 10.572 1.797 ( 9.381 5.416 -4.164) 11.605 1.807 ( 5.889 3.400 -0.827) 6.850 2.528 ( 9.039 5.219 -1.804) 10.592 2.968 ( 15.582 8.996 -2.125) 18.117 5.318 ( 6.414 3.703 0.549) 7.426 6.002 ( -5.691 -3.286 1.091) 6.661 6.195 ( -1.850 -1.068 -0.545) 2.204 6.626 ( 10.603 6.122 -6.946) 14.077 7.656 ( -15.256 -8.808 1.134) 17.653 8.092 ( -1.455 -0.840 1.331) 2.143 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 3.795 2.191 4.034) 5.956 1.453 ( 5.239 3.025 9.481) 11.247 1.906 ( 3.204 1.850 -1.188) 3.886 2.021 ( 9.963 5.752 -1.834) 11.650 2.670 ( 3.641 2.102 -3.276) 5.330 3.361 ( 16.627 9.600 -0.728) 19.213 5.476 ( 6.488 3.746 0.547) 7.511 5.904 ( -2.638 -1.523 2.321) 3.830 6.170 ( -0.002 -0.001 -0.497) 0.497 6.739 ( 1.611 0.930 -6.973) 7.216 7.305 ( -14.236 -8.219 1.257) 16.486 8.085 ( 0.175 0.101 2.922) 2.929 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 0.000 7.068 17.006) 18.416 1.169 ( 0.000 10.447 12.619) 16.382 1.345 ( -0.000 -1.317 -11.230) 11.307 1.536 ( -0.000 10.097 -10.292) 14.418 2.016 ( 0.000 4.362 26.577) 26.932 2.764 ( -0.000 -6.772 -17.789) 19.034 5.097 ( 0.000 2.764 0.803) 2.878 5.540 ( -0.000 35.899 -5.622) 36.337 6.276 ( -0.000 -4.113 -0.738) 4.179 6.299 ( -0.000 -1.983 -0.362) 2.016 8.172 ( 0.000 -3.767 2.635) 4.598 8.305 ( -0.000 -8.637 -1.789) 8.820 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -2.243 8.321 12.497) 15.181 1.323 ( 0.217 0.935 1.440) 1.730 1.433 ( 10.826 7.116 1.406) 13.031 1.634 ( 2.269 11.103 -8.971) 14.453 2.196 ( 6.028 8.033 14.752) 17.846 2.677 ( 1.271 1.316 -11.431) 11.577 5.158 ( 2.561 4.361 0.519) 5.084 6.042 ( 15.629 25.873 -4.787) 30.604 6.193 ( -3.002 -4.646 -1.264) 5.674 6.265 ( -1.215 -2.282 -0.332) 2.607 8.071 ( -5.556 -12.000 4.085) 13.841 8.177 ( -3.511 -2.907 -3.547) 5.776 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 1.016 7.273 7.553) 10.535 1.352 ( 0.900 2.602 3.836) 4.722 1.685 ( 8.818 7.919 1.021) 11.896 1.776 ( 4.073 7.499 -3.881) 9.374 2.433 ( 7.757 7.214 0.591) 10.610 2.825 ( 10.640 10.724 -2.784) 15.361 5.277 ( 4.471 6.213 0.396) 7.665 6.056 ( -4.713 -5.133 0.551) 6.991 6.215 ( -1.723 -1.543 -0.395) 2.346 6.490 ( 11.827 12.155 -4.390) 17.518 7.791 ( -11.189 -12.440 0.985) 16.761 8.104 ( -1.752 -2.202 0.053) 2.815 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 1.080 7.093 4.059) 8.243 1.445 ( 3.732 4.274 7.417) 9.338 1.869 ( 3.058 2.626 0.987) 4.149 1.945 ( 7.954 10.853 -2.736) 13.731 2.607 ( 5.440 4.004 -2.595) 7.236 3.185 ( 15.018 12.671 -1.277) 19.690 5.437 ( 5.117 7.618 0.498) 9.191 5.939 ( -3.266 -3.542 1.795) 5.142 6.179 ( -1.002 -0.055 -0.436) 1.094 6.688 ( 3.956 3.179 -4.755) 6.954 7.457 ( -12.846 -10.491 0.249) 16.588 8.071 ( 0.411 -2.597 2.407) 3.565 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -0.000 1.472 -12.379) 12.466 1.276 ( 0.000 6.919 9.142) 11.465 1.467 ( 0.000 11.678 9.269) 14.909 1.697 ( -0.000 10.147 -9.291) 13.758 2.276 ( 0.000 9.544 10.380) 14.101 2.669 ( -0.000 6.472 -5.977) 8.810 5.186 ( -0.000 5.566 0.319) 5.575 6.155 ( 0.000 -3.275 0.489) 3.312 6.187 ( -0.000 23.531 -3.683) 23.818 6.245 ( 0.000 -2.929 -0.026) 2.929 7.988 ( 0.000 -15.501 3.340) 15.856 8.170 ( -0.000 -2.376 -3.887) 4.556 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 1.544 4.165 -4.832) 6.564 1.362 ( 1.094 4.863 0.317) 4.994 1.669 ( 5.656 11.766 5.135) 14.028 1.783 ( 2.015 6.972 -5.370) 9.028 2.425 ( 3.078 9.133 2.380) 9.928 2.811 ( 4.888 14.635 0.269) 15.432 5.279 ( 3.114 7.072 0.058) 7.727 6.063 ( -2.628 -6.221 -0.950) 6.820 6.213 ( -0.388 -2.337 -0.003) 2.369 6.469 ( 5.679 15.519 0.242) 16.528 7.788 ( -4.655 -16.032 1.536) 16.765 8.116 ( -2.161 -1.860 -2.510) 3.799 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 4.194 7.265 -0.000) 8.388 1.435 ( 2.332 4.039 0.000) 4.664 1.861 ( 1.787 3.096 -0.000) 3.574 1.928 ( 7.685 13.310 -0.000) 15.370 2.570 ( 3.630 6.287 -0.000) 7.260 3.109 ( 9.512 16.476 -0.000) 19.025 5.435 ( 5.080 8.799 -0.000) 10.161 5.953 ( -2.718 -4.707 -0.000) 5.435 6.190 ( -0.393 -0.680 -0.000) 0.785 6.658 ( 3.178 5.504 -0.000) 6.356 7.522 ( -7.932 -13.738 -0.000) 15.863 8.053 ( -1.558 -2.698 -0.000) 3.115 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -0.000 3.453 -8.630) 9.295 1.400 ( -0.000 4.821 -5.641) 7.420 1.756 ( 0.000 12.318 4.700) 13.185 1.817 ( -0.000 5.620 -3.067) 6.402 2.506 ( 0.000 9.278 2.729) 9.671 2.947 ( 0.000 18.811 2.421) 18.966 5.322 ( -0.000 7.506 -0.285) 7.511 6.017 ( -0.000 -6.118 -2.064) 6.457 6.191 ( 0.000 -2.199 0.383) 2.232 6.577 ( 0.000 11.630 3.919) 12.273 7.657 ( 0.000 -17.404 0.897) 17.427 8.114 ( -0.000 -1.111 -3.409) 3.585 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 0.000 -0.000 14.981) 14.981 1.049 ( 0.000 -0.000 14.981) 14.981 1.359 ( -0.000 0.000 -10.966) 10.966 1.359 ( -0.000 0.000 -10.966) 10.966 2.072 ( 0.000 -0.000 28.177) 28.177 2.810 ( -0.000 0.000 -22.231) 22.231 5.071 ( 0.000 -0.000 0.601) 0.601 5.071 ( 0.000 -0.000 0.601) 0.601 6.320 ( -0.000 0.000 -0.323) 0.323 6.320 ( -0.000 0.000 -0.323) 0.323 8.206 ( 0.000 -0.000 1.224) 1.224 8.410 ( -0.000 0.000 -0.626) 0.626 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 0.585 0.338 16.308) 16.322 1.303 ( 11.601 6.698 12.927) 18.616 1.323 ( 2.257 1.303 -12.248) 12.522 1.420 ( 5.209 3.007 -10.731) 12.301 2.162 ( 2.287 1.320 18.550) 18.737 2.663 ( -3.857 -2.227 -14.838) 15.492 5.101 ( 2.393 1.382 0.297) 2.780 5.517 ( 30.395 17.549 -2.869) 35.214 6.271 ( -3.875 -2.237 -0.180) 4.478 6.298 ( -1.655 -0.956 -0.266) 1.930 8.188 ( -1.743 -1.006 1.333) 2.414 8.291 ( -9.212 -5.318 -0.774) 10.665 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 2.964 1.711 13.768) 14.187 1.333 ( 1.197 0.691 -1.602) 2.116 1.549 ( 8.282 4.781 -8.518) 12.807 1.621 ( 10.872 6.277 5.727) 13.799 2.315 ( 7.598 4.387 2.652) 9.165 2.661 ( 7.203 4.159 -4.913) 9.660 5.186 ( 4.736 2.734 0.151) 5.471 6.145 ( -2.888 -1.668 1.638) 3.716 6.194 ( 20.925 12.081 -4.231) 24.530 6.247 ( -2.469 -1.425 -0.272) 2.864 8.007 ( -13.916 -8.034 -0.527) 16.077 8.144 ( -2.086 -1.204 1.484) 2.829 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 0.000 6.224 16.167) 17.324 1.188 ( -0.000 2.558 -11.592) 11.870 1.322 ( 0.000 5.131 9.439) 10.744 1.431 ( -0.000 10.319 -12.867) 16.494 2.205 ( 0.000 1.238 11.574) 11.640 2.625 ( -0.000 -3.788 -9.092) 9.849 5.101 ( 0.000 2.747 0.283) 2.762 5.510 ( -0.000 34.518 -1.226) 34.540 6.271 ( -0.000 -4.366 -0.291) 4.375 6.297 ( 0.000 -1.945 -0.056) 1.945 8.189 ( 0.000 -2.237 1.032) 2.463 8.292 ( -0.000 -10.291 -0.878) 10.328 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 1.520 2.633 0.000) 3.040 1.283 ( 1.932 3.347 -0.000) 3.864 1.484 ( 4.416 7.648 -0.000) 8.832 1.570 ( 6.621 11.469 -0.000) 13.243 2.275 ( 3.039 5.264 0.000) 6.078 2.614 ( 2.301 3.986 -0.000) 4.603 5.161 ( 2.522 4.368 -0.000) 5.044 6.020 ( 15.617 27.049 -0.000) 31.234 6.187 ( -3.222 -5.581 -0.000) 6.445 6.263 ( -1.292 -2.238 -0.000) 2.584 8.094 ( -7.447 -12.898 -0.000) 14.893 8.157 ( -1.326 -2.296 -0.000) 2.652 ======================= 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 0.00e+00 5.20e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.000 -0.000 0.000) 0.000 1.137 ( 0.000 -0.000 0.000) 0.000 1.289 ( 0.000 -0.000 0.000) 0.000 1.289 ( 0.000 -0.000 0.000) 0.000 2.226 ( -0.000 0.000 -0.000) 0.000 2.682 ( 0.000 -0.000 0.000) 0.000 5.074 ( 0.000 -0.000 0.000) 0.000 5.074 ( 0.000 -0.000 0.000) 0.000 6.318 ( 0.000 -0.000 0.000) 0.000 6.318 ( 0.000 -0.000 0.000) 0.000 8.211 ( 0.000 -0.000 0.000) 0.000 8.407 ( 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 10.0 306.187 306.187 551.254 -0.000 0.000 -0.000 3/32928 20.0 89.849 89.849 93.366 -0.000 0.000 -0.000 3/32928 30.0 50.037 50.037 43.648 -0.000 0.000 -0.000 3/32928 40.0 34.601 34.601 27.653 -0.000 0.000 -0.000 3/32928 50.0 25.965 25.965 19.927 -0.000 0.000 -0.000 3/32928 60.0 20.426 20.426 15.414 -0.000 0.000 -0.000 3/32928 70.0 16.660 16.660 12.493 -0.000 0.000 -0.000 3/32928 80.0 13.992 13.992 10.474 -0.000 0.000 -0.000 3/32928 90.0 12.032 12.032 9.007 -0.000 0.000 -0.000 3/32928 100.0 10.546 10.546 7.899 -0.000 0.000 -0.000 3/32928 110.0 9.385 9.385 7.036 -0.000 0.000 -0.000 3/32928 120.0 8.456 8.456 6.345 -0.000 0.000 -0.000 3/32928 130.0 7.698 7.698 5.780 -0.000 0.000 -0.000 3/32928 140.0 7.067 7.067 5.310 -0.000 0.000 -0.000 3/32928 150.0 6.534 6.534 4.912 -0.000 0.000 -0.000 3/32928 160.0 6.077 6.077 4.571 -0.000 0.000 -0.000 3/32928 170.0 5.682 5.682 4.275 -0.000 0.000 -0.000 3/32928 180.0 5.337 5.337 4.016 -0.000 0.000 -0.000 3/32928 190.0 5.032 5.032 3.788 -0.000 0.000 -0.000 3/32928 200.0 4.761 4.761 3.585 -0.000 0.000 -0.000 3/32928 210.0 4.518 4.518 3.403 -0.000 0.000 -0.000 3/32928 220.0 4.299 4.299 3.238 -0.000 0.000 -0.000 3/32928 230.0 4.101 4.101 3.090 -0.000 0.000 -0.000 3/32928 240.0 3.921 3.921 2.954 -0.000 0.000 -0.000 3/32928 250.0 3.757 3.757 2.831 -0.000 0.000 -0.000 3/32928 260.0 3.606 3.606 2.717 -0.000 0.000 -0.000 3/32928 270.0 3.466 3.466 2.612 -0.000 0.000 -0.000 3/32928 280.0 3.338 3.338 2.515 -0.000 0.000 -0.000 3/32928 290.0 3.218 3.218 2.425 -0.000 0.000 -0.000 3/32928 300.0 3.107 3.107 2.342 -0.000 0.000 -0.000 3/32928 310.0 3.004 3.004 2.264 -0.000 0.000 -0.000 3/32928 320.0 2.907 2.907 2.191 -0.000 0.000 -0.000 3/32928 330.0 2.817 2.817 2.123 -0.000 0.000 -0.000 3/32928 340.0 2.732 2.732 2.059 -0.000 0.000 -0.000 3/32928 350.0 2.652 2.652 1.999 -0.000 0.000 -0.000 3/32928 360.0 2.576 2.576 1.942 -0.000 0.000 -0.000 3/32928 370.0 2.505 2.505 1.888 -0.000 0.000 -0.000 3/32928 380.0 2.438 2.438 1.838 -0.000 0.000 -0.000 3/32928 390.0 2.374 2.374 1.790 -0.000 0.000 -0.000 3/32928 400.0 2.314 2.314 1.744 -0.000 0.000 -0.000 3/32928 410.0 2.256 2.256 1.701 -0.000 0.000 -0.000 3/32928 420.0 2.202 2.202 1.660 -0.000 0.000 -0.000 3/32928 430.0 2.150 2.150 1.620 -0.000 0.000 -0.000 3/32928 440.0 2.100 2.100 1.583 -0.000 0.000 -0.000 3/32928 450.0 2.053 2.053 1.547 -0.000 0.000 -0.000 3/32928 460.0 2.008 2.008 1.513 -0.000 0.000 -0.000 3/32928 470.0 1.964 1.964 1.481 -0.000 0.000 -0.000 3/32928 480.0 1.923 1.923 1.449 -0.000 0.000 -0.000 3/32928 490.0 1.883 1.883 1.419 -0.000 0.000 -0.000 3/32928 500.0 1.845 1.845 1.391 -0.000 0.000 -0.000 3/32928 510.0 1.809 1.809 1.363 -0.000 0.000 -0.000 3/32928 520.0 1.773 1.773 1.337 -0.000 0.000 -0.000 3/32928 530.0 1.740 1.740 1.311 -0.000 0.000 -0.000 3/32928 540.0 1.707 1.707 1.287 -0.000 0.000 -0.000 3/32928 550.0 1.676 1.676 1.263 -0.000 0.000 -0.000 3/32928 560.0 1.646 1.646 1.240 -0.000 0.000 -0.000 3/32928 570.0 1.617 1.617 1.218 -0.000 0.000 -0.000 3/32928 580.0 1.588 1.588 1.197 -0.000 0.000 -0.000 3/32928 590.0 1.561 1.561 1.177 -0.000 0.000 -0.000 3/32928 600.0 1.535 1.535 1.157 -0.000 0.000 -0.000 3/32928 610.0 1.510 1.510 1.138 -0.000 0.000 -0.000 3/32928 620.0 1.485 1.485 1.119 -0.000 0.000 -0.000 3/32928 630.0 1.462 1.462 1.102 -0.000 0.000 -0.000 3/32928 640.0 1.439 1.439 1.084 -0.000 0.000 -0.000 3/32928 650.0 1.416 1.416 1.067 -0.000 0.000 -0.000 3/32928 660.0 1.395 1.395 1.051 -0.000 0.000 -0.000 3/32928 670.0 1.374 1.374 1.035 -0.000 0.000 -0.000 3/32928 680.0 1.354 1.354 1.020 -0.000 0.000 -0.000 3/32928 690.0 1.334 1.334 1.005 -0.000 0.000 -0.000 3/32928 700.0 1.315 1.315 0.991 -0.000 0.000 -0.000 3/32928 710.0 1.296 1.296 0.977 -0.000 0.000 -0.000 3/32928 720.0 1.278 1.278 0.963 -0.000 0.000 -0.000 3/32928 730.0 1.260 1.260 0.950 -0.000 0.000 -0.000 3/32928 740.0 1.243 1.243 0.937 -0.000 0.000 -0.000 3/32928 750.0 1.227 1.227 0.924 -0.000 0.000 -0.000 3/32928 760.0 1.210 1.210 0.912 -0.000 0.000 -0.000 3/32928 770.0 1.195 1.195 0.900 -0.000 0.000 -0.000 3/32928 780.0 1.179 1.179 0.889 -0.000 0.000 -0.000 3/32928 790.0 1.164 1.164 0.877 -0.000 0.000 -0.000 3/32928 800.0 1.150 1.150 0.866 -0.000 0.000 -0.000 3/32928 810.0 1.135 1.135 0.856 -0.000 0.000 -0.000 3/32928 820.0 1.122 1.122 0.845 -0.000 0.000 -0.000 3/32928 830.0 1.108 1.108 0.835 -0.000 0.000 -0.000 3/32928 840.0 1.095 1.095 0.825 -0.000 0.000 -0.000 3/32928 850.0 1.082 1.082 0.815 -0.000 0.000 -0.000 3/32928 860.0 1.069 1.069 0.806 -0.000 0.000 -0.000 3/32928 870.0 1.057 1.057 0.796 -0.000 0.000 -0.000 3/32928 880.0 1.045 1.045 0.787 -0.000 0.000 -0.000 3/32928 890.0 1.033 1.033 0.778 -0.000 0.000 -0.000 3/32928 900.0 1.022 1.022 0.770 -0.000 0.000 -0.000 3/32928 910.0 1.010 1.010 0.761 -0.000 0.000 -0.000 3/32928 920.0 0.999 0.999 0.753 -0.000 0.000 -0.000 3/32928 930.0 0.989 0.989 0.745 -0.000 0.000 -0.000 3/32928 940.0 0.978 0.978 0.737 -0.000 0.000 -0.000 3/32928 950.0 0.968 0.968 0.729 -0.000 0.000 -0.000 3/32928 960.0 0.958 0.958 0.722 -0.000 0.000 -0.000 3/32928 970.0 0.948 0.948 0.714 -0.000 0.000 -0.000 3/32928 980.0 0.938 0.938 0.707 -0.000 0.000 -0.000 3/32928 990.0 0.928 0.928 0.700 -0.000 0.000 -0.000 3/32928 1000.0 0.919 0.919 0.693 -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 2026-01-07 23:13:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|