----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:41:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.931475240164267 1.115137749841934 6.067488019999994 b -1.931475240164263 1.115137749841934 6.067488019999994 c 0.000000000000002 -2.230275499683872 6.067488019999994 Atomic positions (fractional): *1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *2 S 0.24905262655202 0.24905262655202 0.24905262655202 32.065 3 S 0.75094737344798 0.75094737344798 0.75094737344798 32.065 *4 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.862950480328530 0.000000000000000 0.000000000000000 b -1.931475240164265 3.345413249525806 0.000000000000000 c 0.000000000000000 0.000000000000000 18.202464060000001 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.16666666666667 6.941 > 1 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.66666666666667 0.33333333333333 0.83333333333333 6.941 > 1 *4 S 0.00000000000000 0.00000000000000 0.24905262655202 32.065 > 2 5 S 0.66666666666667 0.33333333333333 0.08428070678131 32.065 > 3 6 S 0.66666666666667 0.33333333333333 0.58238595988536 32.065 > 2 7 S 0.33333333333333 0.66666666666667 0.41761404011464 32.065 > 3 8 S 0.33333333333333 0.66666666666667 0.91571929321869 32.065 > 2 9 S 0.00000000000000 0.00000000000000 0.75094737344798 32.065 > 3 *10 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 4 11 Y 0.66666666666667 0.33333333333333 0.33333333333333 88.906 > 4 12 Y 0.33333333333333 0.66666666666667 0.66666666666667 88.906 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.588851440985589 0.000000000000000 0.000000000000000 b -5.794425720492795 10.036239748577419 0.000000000000000 c 0.000000000000000 0.000000000000000 18.202464060000001 Atomic positions (fractional): *1 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 2 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 3 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 4 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 5 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 6 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 7 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 8 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 9 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 20 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 21 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 22 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 23 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 24 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 25 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 26 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 27 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 *28 S 0.00000000000000 0.00000000000000 0.24905262655202 32.065 > 2 29 S 0.33333333333333 0.00000000000000 0.24905262655202 32.065 > 2 30 S 0.66666666666667 0.00000000000000 0.24905262655202 32.065 > 2 31 S 0.00000000000000 0.33333333333333 0.24905262655202 32.065 > 2 32 S 0.33333333333333 0.33333333333333 0.24905262655202 32.065 > 2 33 S 0.66666666666667 0.33333333333333 0.24905262655202 32.065 > 2 34 S 0.00000000000000 0.66666666666667 0.24905262655202 32.065 > 2 35 S 0.33333333333333 0.66666666666667 0.24905262655202 32.065 > 2 36 S 0.66666666666667 0.66666666666667 0.24905262655202 32.065 > 2 37 S 0.22222222222222 0.11111111111111 0.08428070678131 32.065 > 3 38 S 0.55555555555556 0.11111111111111 0.08428070678131 32.065 > 3 39 S 0.88888888888889 0.11111111111111 0.08428070678131 32.065 > 3 40 S 0.22222222222222 0.44444444444444 0.08428070678131 32.065 > 3 41 S 0.55555555555556 0.44444444444444 0.08428070678131 32.065 > 3 42 S 0.88888888888889 0.44444444444444 0.08428070678131 32.065 > 3 43 S 0.22222222222222 0.77777777777778 0.08428070678131 32.065 > 3 44 S 0.55555555555556 0.77777777777778 0.08428070678131 32.065 > 3 45 S 0.88888888888889 0.77777777777778 0.08428070678131 32.065 > 3 46 S 0.22222222222222 0.11111111111111 0.58238595988536 32.065 > 2 47 S 0.55555555555556 0.11111111111111 0.58238595988536 32.065 > 2 48 S 0.88888888888889 0.11111111111111 0.58238595988536 32.065 > 2 49 S 0.22222222222222 0.44444444444444 0.58238595988536 32.065 > 2 50 S 0.55555555555556 0.44444444444444 0.58238595988536 32.065 > 2 51 S 0.88888888888889 0.44444444444444 0.58238595988536 32.065 > 2 52 S 0.22222222222222 0.77777777777778 0.58238595988536 32.065 > 2 53 S 0.55555555555556 0.77777777777778 0.58238595988536 32.065 > 2 54 S 0.88888888888889 0.77777777777778 0.58238595988536 32.065 > 2 55 S 0.11111111111111 0.22222222222222 0.41761404011464 32.065 > 3 56 S 0.44444444444444 0.22222222222222 0.41761404011464 32.065 > 3 57 S 0.77777777777778 0.22222222222222 0.41761404011464 32.065 > 3 58 S 0.11111111111111 0.55555555555556 0.41761404011464 32.065 > 3 59 S 0.44444444444444 0.55555555555556 0.41761404011464 32.065 > 3 60 S 0.77777777777778 0.55555555555556 0.41761404011464 32.065 > 3 61 S 0.11111111111111 0.88888888888889 0.41761404011464 32.065 > 3 62 S 0.44444444444444 0.88888888888889 0.41761404011464 32.065 > 3 63 S 0.77777777777778 0.88888888888889 0.41761404011464 32.065 > 3 64 S 0.11111111111111 0.22222222222222 0.91571929321869 32.065 > 2 65 S 0.44444444444444 0.22222222222222 0.91571929321869 32.065 > 2 66 S 0.77777777777778 0.22222222222222 0.91571929321869 32.065 > 2 67 S 0.11111111111111 0.55555555555556 0.91571929321869 32.065 > 2 68 S 0.44444444444444 0.55555555555556 0.91571929321869 32.065 > 2 69 S 0.77777777777778 0.55555555555556 0.91571929321869 32.065 > 2 70 S 0.11111111111111 0.88888888888889 0.91571929321869 32.065 > 2 71 S 0.44444444444444 0.88888888888889 0.91571929321869 32.065 > 2 72 S 0.77777777777778 0.88888888888889 0.91571929321869 32.065 > 2 73 S 0.00000000000000 0.00000000000000 0.75094737344798 32.065 > 3 74 S 0.33333333333333 0.00000000000000 0.75094737344798 32.065 > 3 75 S 0.66666666666667 0.00000000000000 0.75094737344798 32.065 > 3 76 S 0.00000000000000 0.33333333333333 0.75094737344798 32.065 > 3 77 S 0.33333333333333 0.33333333333333 0.75094737344798 32.065 > 3 78 S 0.66666666666667 0.33333333333333 0.75094737344798 32.065 > 3 79 S 0.00000000000000 0.66666666666667 0.75094737344798 32.065 > 3 80 S 0.33333333333333 0.66666666666667 0.75094737344798 32.065 > 3 81 S 0.66666666666667 0.66666666666667 0.75094737344798 32.065 > 3 *82 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 4 83 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 4 84 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 4 85 Y 0.00000000000000 0.33333333333333 0.00000000000000 88.906 > 4 86 Y 0.33333333333333 0.33333333333333 0.00000000000000 88.906 > 4 87 Y 0.66666666666667 0.33333333333333 0.00000000000000 88.906 > 4 88 Y 0.00000000000000 0.66666666666667 0.00000000000000 88.906 > 4 89 Y 0.33333333333333 0.66666666666667 0.00000000000000 88.906 > 4 90 Y 0.66666666666667 0.66666666666667 0.00000000000000 88.906 > 4 91 Y 0.22222222222222 0.11111111111111 0.33333333333333 88.906 > 4 92 Y 0.55555555555556 0.11111111111111 0.33333333333333 88.906 > 4 93 Y 0.88888888888889 0.11111111111111 0.33333333333333 88.906 > 4 94 Y 0.22222222222222 0.44444444444444 0.33333333333333 88.906 > 4 95 Y 0.55555555555556 0.44444444444444 0.33333333333333 88.906 > 4 96 Y 0.88888888888889 0.44444444444444 0.33333333333333 88.906 > 4 97 Y 0.22222222222222 0.77777777777778 0.33333333333333 88.906 > 4 98 Y 0.55555555555556 0.77777777777778 0.33333333333333 88.906 > 4 99 Y 0.88888888888889 0.77777777777778 0.33333333333333 88.906 > 4 100 Y 0.11111111111111 0.22222222222222 0.66666666666667 88.906 > 4 101 Y 0.44444444444444 0.22222222222222 0.66666666666667 88.906 > 4 102 Y 0.77777777777778 0.22222222222222 0.66666666666667 88.906 > 4 103 Y 0.11111111111111 0.55555555555556 0.66666666666667 88.906 > 4 104 Y 0.44444444444444 0.55555555555556 0.66666666666667 88.906 > 4 105 Y 0.77777777777778 0.55555555555556 0.66666666666667 88.906 > 4 106 Y 0.11111111111111 0.88888888888889 0.66666666666667 88.906 > 4 107 Y 0.44444444444444 0.88888888888889 0.66666666666667 88.906 > 4 108 Y 0.77777777777778 0.88888888888889 0.66666666666667 88.906 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7654604 0.0000000 0.0000000 0.0000000 6.7654604 0.0000000 0.0000000 0.0000000 5.4700664 -------------------------- Born effective charges -------------------------- 1 Li 1.2318222 0.0000000 0.0000000 0.0000000 1.2318222 0.0000000 0.0000000 0.0000000 1.6375901 2 S -2.7542485 -0.0000000 0.0000000 0.0000000 -2.7542485 0.0000000 0.0000000 0.0000000 -2.0210933 3 S -2.7542485 -0.0000000 0.0000000 0.0000000 -2.7542485 0.0000000 0.0000000 0.0000000 -2.0210933 4 Y 4.2766748 0.0000000 0.0000000 0.0000000 4.2766748 0.0000000 0.0000000 0.0000000 2.4045965 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 169 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.123 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.130 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 169 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:41:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:41:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.931475240164267 1.115137749841934 6.067488019999994 b -1.931475240164263 1.115137749841934 6.067488019999994 c 0.000000000000002 -2.230275499683872 6.067488019999994 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 S 0.24905262655202 0.24905262655202 0.24905262655202 32.065 3 S 0.75094737344798 0.75094737344798 0.75094737344798 32.065 4 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.588851440985589 0.000000000000000 0.000000000000000 b -5.794425720492795 10.036239748577419 0.000000000000000 c 0.000000000000000 0.000000000000000 18.202464060000001 Atomic positions (fractional): 1 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 2 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 3 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 4 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 5 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 6 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 7 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 8 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 9 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 20 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 21 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 22 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 23 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 24 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 25 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 26 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 27 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 28 S 0.00000000000000 0.00000000000000 0.24905262655202 32.065 > 28 29 S 0.33333333333333 0.00000000000000 0.24905262655202 32.065 > 28 30 S 0.66666666666667 0.00000000000000 0.24905262655202 32.065 > 28 31 S 0.00000000000000 0.33333333333333 0.24905262655202 32.065 > 28 32 S 0.33333333333333 0.33333333333333 0.24905262655202 32.065 > 28 33 S 0.66666666666667 0.33333333333333 0.24905262655202 32.065 > 28 34 S 0.00000000000000 0.66666666666667 0.24905262655202 32.065 > 28 35 S 0.33333333333333 0.66666666666667 0.24905262655202 32.065 > 28 36 S 0.66666666666667 0.66666666666667 0.24905262655202 32.065 > 28 37 S 0.22222222222222 0.11111111111111 0.08428070678131 32.065 > 37 38 S 0.55555555555556 0.11111111111111 0.08428070678131 32.065 > 37 39 S 0.88888888888889 0.11111111111111 0.08428070678131 32.065 > 37 40 S 0.22222222222222 0.44444444444444 0.08428070678131 32.065 > 37 41 S 0.55555555555556 0.44444444444444 0.08428070678131 32.065 > 37 42 S 0.88888888888889 0.44444444444444 0.08428070678131 32.065 > 37 43 S 0.22222222222222 0.77777777777778 0.08428070678131 32.065 > 37 44 S 0.55555555555556 0.77777777777778 0.08428070678131 32.065 > 37 45 S 0.88888888888889 0.77777777777778 0.08428070678131 32.065 > 37 46 S 0.22222222222222 0.11111111111111 0.58238595988536 32.065 > 28 47 S 0.55555555555556 0.11111111111111 0.58238595988536 32.065 > 28 48 S 0.88888888888889 0.11111111111111 0.58238595988536 32.065 > 28 49 S 0.22222222222222 0.44444444444444 0.58238595988536 32.065 > 28 50 S 0.55555555555556 0.44444444444444 0.58238595988536 32.065 > 28 51 S 0.88888888888889 0.44444444444444 0.58238595988536 32.065 > 28 52 S 0.22222222222222 0.77777777777778 0.58238595988536 32.065 > 28 53 S 0.55555555555556 0.77777777777778 0.58238595988536 32.065 > 28 54 S 0.88888888888889 0.77777777777778 0.58238595988536 32.065 > 28 55 S 0.11111111111111 0.22222222222222 0.41761404011464 32.065 > 37 56 S 0.44444444444444 0.22222222222222 0.41761404011464 32.065 > 37 57 S 0.77777777777778 0.22222222222222 0.41761404011464 32.065 > 37 58 S 0.11111111111111 0.55555555555556 0.41761404011464 32.065 > 37 59 S 0.44444444444444 0.55555555555556 0.41761404011464 32.065 > 37 60 S 0.77777777777778 0.55555555555556 0.41761404011464 32.065 > 37 61 S 0.11111111111111 0.88888888888889 0.41761404011464 32.065 > 37 62 S 0.44444444444444 0.88888888888889 0.41761404011464 32.065 > 37 63 S 0.77777777777778 0.88888888888889 0.41761404011464 32.065 > 37 64 S 0.11111111111111 0.22222222222222 0.91571929321869 32.065 > 28 65 S 0.44444444444444 0.22222222222222 0.91571929321869 32.065 > 28 66 S 0.77777777777778 0.22222222222222 0.91571929321869 32.065 > 28 67 S 0.11111111111111 0.55555555555556 0.91571929321869 32.065 > 28 68 S 0.44444444444444 0.55555555555556 0.91571929321869 32.065 > 28 69 S 0.77777777777778 0.55555555555556 0.91571929321869 32.065 > 28 70 S 0.11111111111111 0.88888888888889 0.91571929321869 32.065 > 28 71 S 0.44444444444444 0.88888888888889 0.91571929321869 32.065 > 28 72 S 0.77777777777778 0.88888888888889 0.91571929321869 32.065 > 28 73 S 0.00000000000000 0.00000000000000 0.75094737344798 32.065 > 37 74 S 0.33333333333333 0.00000000000000 0.75094737344798 32.065 > 37 75 S 0.66666666666667 0.00000000000000 0.75094737344798 32.065 > 37 76 S 0.00000000000000 0.33333333333333 0.75094737344798 32.065 > 37 77 S 0.33333333333333 0.33333333333333 0.75094737344798 32.065 > 37 78 S 0.66666666666667 0.33333333333333 0.75094737344798 32.065 > 37 79 S 0.00000000000000 0.66666666666667 0.75094737344798 32.065 > 37 80 S 0.33333333333333 0.66666666666667 0.75094737344798 32.065 > 37 81 S 0.66666666666667 0.66666666666667 0.75094737344798 32.065 > 37 82 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 82 83 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 82 84 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 82 85 Y 0.00000000000000 0.33333333333333 0.00000000000000 88.906 > 82 86 Y 0.33333333333333 0.33333333333333 0.00000000000000 88.906 > 82 87 Y 0.66666666666667 0.33333333333333 0.00000000000000 88.906 > 82 88 Y 0.00000000000000 0.66666666666667 0.00000000000000 88.906 > 82 89 Y 0.33333333333333 0.66666666666667 0.00000000000000 88.906 > 82 90 Y 0.66666666666667 0.66666666666667 0.00000000000000 88.906 > 82 91 Y 0.22222222222222 0.11111111111111 0.33333333333333 88.906 > 82 92 Y 0.55555555555556 0.11111111111111 0.33333333333333 88.906 > 82 93 Y 0.88888888888889 0.11111111111111 0.33333333333333 88.906 > 82 94 Y 0.22222222222222 0.44444444444444 0.33333333333333 88.906 > 82 95 Y 0.55555555555556 0.44444444444444 0.33333333333333 88.906 > 82 96 Y 0.88888888888889 0.44444444444444 0.33333333333333 88.906 > 82 97 Y 0.22222222222222 0.77777777777778 0.33333333333333 88.906 > 82 98 Y 0.55555555555556 0.77777777777778 0.33333333333333 88.906 > 82 99 Y 0.88888888888889 0.77777777777778 0.33333333333333 88.906 > 82 100 Y 0.11111111111111 0.22222222222222 0.66666666666667 88.906 > 82 101 Y 0.44444444444444 0.22222222222222 0.66666666666667 88.906 > 82 102 Y 0.77777777777778 0.22222222222222 0.66666666666667 88.906 > 82 103 Y 0.11111111111111 0.55555555555556 0.66666666666667 88.906 > 82 104 Y 0.44444444444444 0.55555555555556 0.66666666666667 88.906 > 82 105 Y 0.77777777777778 0.55555555555556 0.66666666666667 88.906 > 82 106 Y 0.11111111111111 0.88888888888889 0.66666666666667 88.906 > 82 107 Y 0.44444444444444 0.88888888888889 0.66666666666667 88.906 > 82 108 Y 0.77777777777778 0.88888888888889 0.66666666666667 88.906 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7654604 0.0000000 0.0000000 0.0000000 6.7654604 0.0000000 0.0000000 0.0000000 5.4700664 -------------------------- Born effective charges -------------------------- 1 Li 1.2318222 0.0000000 0.0000000 0.0000000 1.2318222 0.0000000 0.0000000 0.0000000 1.6375901 2 S -2.7542485 -0.0000000 0.0000000 0.0000000 -2.7542485 0.0000000 0.0000000 0.0000000 -2.0210933 3 S -2.7542485 -0.0000000 0.0000000 0.0000000 -2.7542485 0.0000000 0.0000000 0.0000000 -2.0210933 4 Y 4.2766748 0.0000000 0.0000000 0.0000000 4.2766748 0.0000000 0.0000000 0.0000000 2.4045965 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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 2026-01-08 01:41:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:41:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.931475240164267 1.115137749841934 6.067488019999994 b -1.931475240164263 1.115137749841934 6.067488019999994 c 0.000000000000002 -2.230275499683872 6.067488019999994 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 S 0.24905262655202 0.24905262655202 0.24905262655202 32.065 3 S 0.75094737344798 0.75094737344798 0.75094737344798 32.065 4 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.588851440985589 0.000000000000000 0.000000000000000 b -5.794425720492795 10.036239748577419 0.000000000000000 c 0.000000000000000 0.000000000000000 18.202464060000001 Atomic positions (fractional): 1 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 2 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 3 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 4 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 5 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 6 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 7 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 8 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 9 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 20 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 21 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 22 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 23 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 24 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 25 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 26 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 27 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 28 S 0.00000000000000 0.00000000000000 0.24905262655202 32.065 > 28 29 S 0.33333333333333 0.00000000000000 0.24905262655202 32.065 > 28 30 S 0.66666666666667 0.00000000000000 0.24905262655202 32.065 > 28 31 S 0.00000000000000 0.33333333333333 0.24905262655202 32.065 > 28 32 S 0.33333333333333 0.33333333333333 0.24905262655202 32.065 > 28 33 S 0.66666666666667 0.33333333333333 0.24905262655202 32.065 > 28 34 S 0.00000000000000 0.66666666666667 0.24905262655202 32.065 > 28 35 S 0.33333333333333 0.66666666666667 0.24905262655202 32.065 > 28 36 S 0.66666666666667 0.66666666666667 0.24905262655202 32.065 > 28 37 S 0.22222222222222 0.11111111111111 0.08428070678131 32.065 > 37 38 S 0.55555555555556 0.11111111111111 0.08428070678131 32.065 > 37 39 S 0.88888888888889 0.11111111111111 0.08428070678131 32.065 > 37 40 S 0.22222222222222 0.44444444444444 0.08428070678131 32.065 > 37 41 S 0.55555555555556 0.44444444444444 0.08428070678131 32.065 > 37 42 S 0.88888888888889 0.44444444444444 0.08428070678131 32.065 > 37 43 S 0.22222222222222 0.77777777777778 0.08428070678131 32.065 > 37 44 S 0.55555555555556 0.77777777777778 0.08428070678131 32.065 > 37 45 S 0.88888888888889 0.77777777777778 0.08428070678131 32.065 > 37 46 S 0.22222222222222 0.11111111111111 0.58238595988536 32.065 > 28 47 S 0.55555555555556 0.11111111111111 0.58238595988536 32.065 > 28 48 S 0.88888888888889 0.11111111111111 0.58238595988536 32.065 > 28 49 S 0.22222222222222 0.44444444444444 0.58238595988536 32.065 > 28 50 S 0.55555555555556 0.44444444444444 0.58238595988536 32.065 > 28 51 S 0.88888888888889 0.44444444444444 0.58238595988536 32.065 > 28 52 S 0.22222222222222 0.77777777777778 0.58238595988536 32.065 > 28 53 S 0.55555555555556 0.77777777777778 0.58238595988536 32.065 > 28 54 S 0.88888888888889 0.77777777777778 0.58238595988536 32.065 > 28 55 S 0.11111111111111 0.22222222222222 0.41761404011464 32.065 > 37 56 S 0.44444444444444 0.22222222222222 0.41761404011464 32.065 > 37 57 S 0.77777777777778 0.22222222222222 0.41761404011464 32.065 > 37 58 S 0.11111111111111 0.55555555555556 0.41761404011464 32.065 > 37 59 S 0.44444444444444 0.55555555555556 0.41761404011464 32.065 > 37 60 S 0.77777777777778 0.55555555555556 0.41761404011464 32.065 > 37 61 S 0.11111111111111 0.88888888888889 0.41761404011464 32.065 > 37 62 S 0.44444444444444 0.88888888888889 0.41761404011464 32.065 > 37 63 S 0.77777777777778 0.88888888888889 0.41761404011464 32.065 > 37 64 S 0.11111111111111 0.22222222222222 0.91571929321869 32.065 > 28 65 S 0.44444444444444 0.22222222222222 0.91571929321869 32.065 > 28 66 S 0.77777777777778 0.22222222222222 0.91571929321869 32.065 > 28 67 S 0.11111111111111 0.55555555555556 0.91571929321869 32.065 > 28 68 S 0.44444444444444 0.55555555555556 0.91571929321869 32.065 > 28 69 S 0.77777777777778 0.55555555555556 0.91571929321869 32.065 > 28 70 S 0.11111111111111 0.88888888888889 0.91571929321869 32.065 > 28 71 S 0.44444444444444 0.88888888888889 0.91571929321869 32.065 > 28 72 S 0.77777777777778 0.88888888888889 0.91571929321869 32.065 > 28 73 S 0.00000000000000 0.00000000000000 0.75094737344798 32.065 > 37 74 S 0.33333333333333 0.00000000000000 0.75094737344798 32.065 > 37 75 S 0.66666666666667 0.00000000000000 0.75094737344798 32.065 > 37 76 S 0.00000000000000 0.33333333333333 0.75094737344798 32.065 > 37 77 S 0.33333333333333 0.33333333333333 0.75094737344798 32.065 > 37 78 S 0.66666666666667 0.33333333333333 0.75094737344798 32.065 > 37 79 S 0.00000000000000 0.66666666666667 0.75094737344798 32.065 > 37 80 S 0.33333333333333 0.66666666666667 0.75094737344798 32.065 > 37 81 S 0.66666666666667 0.66666666666667 0.75094737344798 32.065 > 37 82 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 82 83 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 82 84 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 82 85 Y 0.00000000000000 0.33333333333333 0.00000000000000 88.906 > 82 86 Y 0.33333333333333 0.33333333333333 0.00000000000000 88.906 > 82 87 Y 0.66666666666667 0.33333333333333 0.00000000000000 88.906 > 82 88 Y 0.00000000000000 0.66666666666667 0.00000000000000 88.906 > 82 89 Y 0.33333333333333 0.66666666666667 0.00000000000000 88.906 > 82 90 Y 0.66666666666667 0.66666666666667 0.00000000000000 88.906 > 82 91 Y 0.22222222222222 0.11111111111111 0.33333333333333 88.906 > 82 92 Y 0.55555555555556 0.11111111111111 0.33333333333333 88.906 > 82 93 Y 0.88888888888889 0.11111111111111 0.33333333333333 88.906 > 82 94 Y 0.22222222222222 0.44444444444444 0.33333333333333 88.906 > 82 95 Y 0.55555555555556 0.44444444444444 0.33333333333333 88.906 > 82 96 Y 0.88888888888889 0.44444444444444 0.33333333333333 88.906 > 82 97 Y 0.22222222222222 0.77777777777778 0.33333333333333 88.906 > 82 98 Y 0.55555555555556 0.77777777777778 0.33333333333333 88.906 > 82 99 Y 0.88888888888889 0.77777777777778 0.33333333333333 88.906 > 82 100 Y 0.11111111111111 0.22222222222222 0.66666666666667 88.906 > 82 101 Y 0.44444444444444 0.22222222222222 0.66666666666667 88.906 > 82 102 Y 0.77777777777778 0.22222222222222 0.66666666666667 88.906 > 82 103 Y 0.11111111111111 0.55555555555556 0.66666666666667 88.906 > 82 104 Y 0.44444444444444 0.55555555555556 0.66666666666667 88.906 > 82 105 Y 0.77777777777778 0.55555555555556 0.66666666666667 88.906 > 82 106 Y 0.11111111111111 0.88888888888889 0.66666666666667 88.906 > 82 107 Y 0.44444444444444 0.88888888888889 0.66666666666667 88.906 > 82 108 Y 0.77777777777778 0.88888888888889 0.66666666666667 88.906 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.7654604 0.0000000 0.0000000 0.0000000 6.7654604 0.0000000 0.0000000 0.0000000 5.4700664 -------------------------- Born effective charges -------------------------- 1 Li 1.2318222 0.0000000 0.0000000 0.0000000 1.2318222 0.0000000 0.0000000 0.0000000 1.6375901 2 S -2.7542485 -0.0000000 0.0000000 0.0000000 -2.7542485 0.0000000 0.0000000 0.0000000 -2.0210933 3 S -2.7542485 -0.0000000 0.0000000 0.0000000 -2.7542485 0.0000000 0.0000000 0.0000000 -2.0210933 4 Y 4.2766748 0.0000000 0.0000000 0.0000000 4.2766748 0.0000000 0.0000000 0.0000000 2.4045965 ---------------------------------------------------------------------------- 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 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.97, Number of G-points: 299, Lambda: 0.25 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 4.873 ( 0.000 0.000 0.000) 0.000 4.873 ( 0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.387 ( 0.000 0.000 0.000) 0.000 6.535 ( 0.000 0.000 0.000) 0.000 6.535 ( 0.000 0.000 0.000) 0.000 8.385 ( 0.000 0.000 0.000) 0.000 9.232 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 24.875 14.361 6.986) 29.560 0.621 ( 25.646 14.806 9.039) 30.962 1.132 ( 48.268 27.868 2.538) 55.793 4.885 ( 1.075 0.621 0.026) 1.242 4.931 ( 5.110 2.950 -0.836) 5.960 6.276 ( 1.448 0.836 1.052) 1.975 6.404 ( 1.572 0.908 1.799) 2.556 6.534 ( -0.320 -0.185 1.032) 1.096 6.603 ( 5.362 3.096 1.070) 6.284 8.342 ( -2.947 -1.701 -4.341) 5.516 9.127 ( -9.174 -5.297 2.684) 10.928 10.623 ( -4.178 -2.412 -3.934) 6.225 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 24.067 13.895 5.611) 28.351 1.245 ( 25.827 14.911 7.942) 30.862 2.226 ( 45.811 26.449 1.049) 52.908 4.922 ( 2.043 1.180 0.203) 2.368 5.091 ( 8.716 5.032 -0.799) 10.096 6.329 ( 2.636 1.522 1.878) 3.576 6.464 ( 2.315 1.337 5.103) 5.761 6.526 ( -0.719 -0.415 1.029) 1.322 6.771 ( 8.447 4.877 1.922) 9.941 8.225 ( -5.111 -2.951 -7.852) 9.822 8.839 ( -16.964 -9.794 7.329) 20.914 10.455 ( -8.184 -4.725 -9.989) 13.751 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 21.858 12.620 3.710) 25.511 1.857 ( 24.743 14.285 6.036) 29.201 3.227 ( 40.575 23.426 -0.929) 46.862 4.978 ( 2.669 1.541 0.462) 3.117 5.314 ( 10.535 6.082 0.312) 12.169 6.400 ( 2.107 1.217 3.485) 4.250 6.515 ( 0.283 0.163 -1.264) 1.305 6.532 ( 1.642 0.948 5.418) 5.740 6.986 ( 9.047 5.224 2.554) 10.755 8.060 ( -6.200 -3.579 -10.123) 12.399 8.429 ( -20.827 -12.024 11.607) 26.703 10.174 ( -11.988 -6.921 -16.147) 21.268 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 17.592 10.157 1.560) 20.373 2.410 ( 21.346 12.324 3.573) 24.905 4.053 ( 30.995 17.895 -2.227) 35.860 5.044 ( 2.753 1.589 0.549) 3.226 5.573 ( 11.589 6.691 1.423) 13.457 6.421 ( -1.237 -0.714 3.876) 4.131 6.560 ( 4.089 2.361 -2.992) 5.590 6.573 ( 0.468 0.270 3.551) 3.592 7.181 ( 6.634 3.830 1.483) 7.802 7.852 ( -10.334 -5.966 -6.891) 13.779 8.037 ( -14.600 -8.429 13.119) 21.362 9.795 ( -14.614 -8.437 -21.549) 27.370 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 11.516 6.649 -0.388) 13.304 2.849 ( 15.816 9.132 1.349) 18.313 4.617 ( 18.688 10.790 -0.517) 21.585 5.102 ( 2.106 1.216 0.177) 2.438 5.832 ( 9.310 5.375 -0.322) 10.755 6.402 ( -1.015 -0.586 2.118) 2.421 6.588 ( 0.698 0.403 0.730) 1.087 6.652 ( 4.389 2.534 -2.102) 5.487 7.283 ( 2.398 1.385 -2.337) 3.624 7.575 ( -11.277 -6.511 9.363) 16.039 7.879 ( -3.721 -2.148 4.665) 6.342 9.365 ( -14.966 -8.641 -23.820) 29.428 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 5.420 3.129 -1.274) 6.387 3.142 ( 9.436 5.448 0.168) 10.897 4.943 ( 10.085 5.822 3.078) 12.045 5.137 ( 0.972 0.561 -0.386) 1.186 5.924 ( -0.791 -0.457 -4.149) 4.248 6.395 ( -0.135 -0.078 1.033) 1.045 6.641 ( 3.819 2.205 -1.559) 4.677 6.736 ( 3.303 1.907 -1.129) 3.978 7.300 ( 0.903 0.521 -4.620) 4.736 7.454 ( -3.760 -2.171 18.204) 18.715 7.849 ( -0.254 -0.147 -0.892) 0.939 8.964 ( -12.206 -7.047 -19.585) 24.129 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 1.357 0.784 -0.654) 1.698 3.286 ( 3.114 1.798 -0.049) 3.596 5.119 ( 3.944 2.277 2.659) 5.274 5.148 ( 0.191 0.110 -0.304) 0.375 5.844 ( -2.743 -1.584 -2.946) 4.326 6.398 ( 0.092 0.053 0.305) 0.323 6.705 ( 1.610 0.930 -1.550) 2.421 6.788 ( 1.259 0.727 -0.315) 1.488 7.305 ( 0.570 0.329 -2.354) 2.444 7.493 ( 0.340 0.196 13.341) 13.346 7.837 ( 0.195 0.112 -5.314) 5.319 8.703 ( -5.139 -2.967 -7.428) 9.507 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -0.000 28.382 3.796) 28.635 0.606 ( -0.000 26.501 9.070) 28.010 1.206 ( -0.000 54.229 14.504) 56.135 4.877 ( 0.000 0.932 -1.467) 1.738 4.934 ( -0.000 6.132 -0.404) 6.146 6.250 ( 0.000 0.639 -3.462) 3.520 6.370 ( 0.000 1.195 -3.316) 3.525 6.540 ( -0.000 -0.180 2.045) 2.053 6.600 ( -0.000 5.606 0.835) 5.668 8.318 ( 0.000 -3.525 -8.437) 9.144 9.140 ( -0.000 -9.950 4.970) 11.122 10.656 ( -0.000 -3.223 1.439) 3.529 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 15.230 20.706 9.829) 27.519 1.097 ( 18.342 24.491 3.819) 30.835 1.992 ( 23.026 46.836 8.444) 52.869 4.901 ( 1.901 1.453 -1.422) 2.783 5.040 ( 4.128 8.241 -0.568) 9.234 6.252 ( 2.180 -2.296 0.371) 3.188 6.456 ( 5.983 3.188 -1.605) 6.966 6.544 ( -0.348 0.302 2.181) 2.229 6.713 ( 5.080 6.530 1.166) 8.355 8.215 ( -2.489 -5.013 -11.427) 12.724 8.966 ( -8.461 -15.016 9.043) 19.464 10.536 ( -8.632 -3.566 -3.686) 10.040 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 18.695 16.315 6.354) 25.613 1.685 ( 20.145 22.400 4.842) 30.513 2.900 ( 29.909 36.730 2.622) 47.440 4.956 ( 2.626 2.525 -0.892) 3.751 5.230 ( 7.686 9.071 0.378) 11.896 6.285 ( 4.688 -4.772 3.196) 7.414 6.536 ( -0.811 1.972 0.394) 2.168 6.594 ( 2.943 5.507 0.740) 6.288 6.898 ( 8.080 5.961 1.696) 10.183 8.058 ( -3.964 -5.970 -12.637) 14.528 8.635 ( -14.697 -17.454 11.840) 25.706 10.274 ( -13.251 -5.487 -10.654) 17.866 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 17.647 12.478 2.661) 21.776 2.253 ( 18.375 20.773 3.879) 28.004 3.729 ( 28.684 25.668 -1.241) 38.511 5.030 ( 2.511 3.731 -0.448) 4.520 5.482 ( 9.637 10.142 2.176) 14.159 6.330 ( 5.021 -6.226 4.259) 9.062 6.543 ( -1.012 3.640 -1.338) 4.008 6.684 ( -0.447 7.422 0.272) 7.440 7.100 ( 7.924 4.204 1.491) 9.093 7.874 ( -4.864 -7.150 -10.891) 13.906 8.242 ( -15.461 -15.558 13.919) 25.977 9.898 ( -16.244 -7.919 -17.285) 25.007 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 13.752 8.263 -0.394) 16.048 2.741 ( 13.856 18.305 1.953) 23.041 4.361 ( 22.261 13.423 -2.099) 26.079 5.110 ( 1.720 5.146 -0.238) 5.431 5.764 ( 8.793 11.111 2.090) 14.323 6.364 ( 3.731 -4.539 3.866) 7.033 6.565 ( -0.203 3.839 -2.067) 4.365 6.729 ( -2.568 7.525 -1.730) 8.137 7.238 ( 4.081 1.772 -1.339) 4.646 7.667 ( -6.314 -9.350 -0.158) 11.284 7.963 ( -7.806 -7.526 11.012) 15.454 9.449 ( -16.534 -9.831 -21.873) 29.128 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 8.445 4.152 -2.283) 9.683 3.100 ( 7.830 14.943 0.543) 16.879 4.753 ( 14.622 2.924 -0.323) 14.915 5.193 ( 0.536 8.095 0.148) 8.114 5.953 ( 0.460 7.077 -1.681) 7.288 6.407 ( 1.901 0.539 2.800) 3.427 6.595 ( 1.237 3.003 -2.324) 3.994 6.748 ( -0.892 4.888 -2.780) 5.694 7.275 ( 1.131 0.637 -4.259) 4.452 7.537 ( -2.166 -5.095 13.529) 14.618 7.866 ( -2.811 -2.427 4.035) 5.483 9.007 ( -12.733 -10.339 -21.000) 26.646 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 3.915 1.220 -2.426) 4.765 3.313 ( 1.647 11.264 0.290) 11.388 4.937 ( 8.210 -4.189 -0.402) 9.225 5.296 ( -1.134 12.221 0.816) 12.301 5.919 ( -6.358 2.795 -3.021) 7.574 6.439 ( -1.474 3.561 1.403) 4.101 6.661 ( 3.529 1.917 -2.783) 4.886 6.776 ( 0.877 1.827 -1.206) 2.358 7.292 ( 1.229 2.274 -4.524) 5.210 7.562 ( -0.992 -1.476 19.087) 19.170 7.807 ( -0.706 -1.536 -5.120) 5.392 8.694 ( -4.787 -8.040 -11.386) 14.738 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( 0.978 -0.490 -1.294) 1.695 3.385 ( -4.480 7.782 0.715) 9.007 4.977 ( 3.939 -7.043 -1.953) 8.303 5.349 ( -7.165 11.022 -2.357) 13.356 5.874 ( -1.103 4.819 2.272) 5.440 6.443 ( -2.578 3.728 0.259) 4.540 6.708 ( 1.139 0.254 0.015) 1.167 6.794 ( 0.094 0.113 -0.364) 0.392 7.321 ( 0.313 3.157 -3.153) 4.472 7.495 ( -5.965 -2.921 -5.261) 8.473 7.836 ( 2.781 -1.201 8.406) 8.935 8.626 ( 5.639 -2.792 2.041) 6.615 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( -2.301 -2.406 -0.311) 3.344 3.317 ( -10.929 4.470 1.053) 11.855 4.919 ( -0.672 -8.683 -3.685) 9.456 5.276 ( -8.863 6.777 -2.359) 11.404 5.969 ( 0.864 7.173 5.570) 9.123 6.426 ( -2.630 1.903 -1.112) 3.431 6.686 ( -3.652 -1.301 1.807) 4.277 6.788 ( -1.098 0.728 0.857) 1.571 7.336 ( -1.423 0.798 2.819) 3.257 7.361 ( -0.456 -0.419 -16.337) 16.349 7.857 ( -1.001 -1.967 3.794) 4.389 8.842 ( 14.835 2.238 15.017) 21.227 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -7.812 -5.375 -0.646) 9.505 3.100 ( -17.798 0.872 0.538) 17.827 4.741 ( -8.333 -10.131 -2.381) 13.333 5.189 ( -6.595 3.467 -0.638) 7.478 5.985 ( -8.837 2.286 3.945) 9.944 6.378 ( -1.440 -2.714 -2.525) 3.977 6.616 ( -3.931 1.652 1.461) 4.508 6.772 ( -3.953 3.885 1.431) 5.724 7.312 ( -1.006 -1.472 2.090) 2.747 7.391 ( 8.228 2.446 -12.276) 14.979 7.834 ( 1.006 -0.773 -1.858) 2.249 9.238 ( 17.883 5.082 20.546) 27.709 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -14.581 -8.316 -2.112) 16.918 2.725 ( -24.211 -2.705 -0.984) 24.382 4.379 ( -21.602 -12.193 1.006) 24.826 5.108 ( -5.312 1.329 -0.682) 5.518 5.756 ( -15.690 -2.560 0.681) 15.912 6.325 ( 1.590 -5.881 -3.205) 6.883 6.586 ( -3.601 3.037 1.589) 4.972 6.736 ( -6.419 6.280 -0.276) 8.984 7.240 ( -4.928 -3.476 -1.040) 6.119 7.637 ( 18.983 4.792 -5.598) 20.364 7.889 ( 5.884 1.587 -2.408) 6.553 9.676 ( 17.219 6.092 19.113) 26.437 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -20.560 -9.667 -3.572) 22.998 2.219 ( -28.747 -4.729 -2.436) 29.235 3.746 ( -37.325 -12.746 1.911) 39.487 5.029 ( -4.396 0.248 -0.771) 4.470 5.470 ( -13.452 -3.312 -0.069) 13.854 6.285 ( 2.536 -7.026 -3.809) 8.385 6.559 ( -3.170 2.478 1.488) 4.290 6.671 ( -7.533 5.660 -2.010) 9.635 7.078 ( -7.977 -4.409 -2.406) 9.426 7.988 ( 9.973 1.373 9.558) 13.882 8.096 ( 21.675 6.699 -12.332) 25.822 10.071 ( 14.503 5.392 13.880) 20.786 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -24.983 -8.006 -3.691) 26.493 1.646 ( -30.901 -4.017 -2.493) 31.261 2.890 ( -48.343 -9.528 0.928) 49.282 4.959 ( -3.366 -0.202 -0.449) 3.402 5.230 ( -11.181 -2.283 0.290) 11.415 6.249 ( 2.186 -5.219 -2.940) 6.376 6.540 ( -1.656 1.173 0.767) 2.169 6.576 ( -7.583 3.250 -2.277) 8.558 6.880 ( -9.218 -2.999 -1.484) 9.807 8.159 ( 7.165 1.069 3.978) 8.264 8.536 ( 23.246 4.446 -4.458) 24.084 10.373 ( 10.800 3.275 7.114) 13.341 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -27.584 0.000 0.000) 27.584 1.077 ( -31.389 0.000 0.000) 31.389 1.943 ( -54.339 0.000 0.000) 54.339 4.909 ( -2.161 0.000 0.000) 2.161 5.043 ( -8.959 0.000 0.000) 8.959 6.248 ( 1.604 -0.000 -0.000) 1.604 6.467 ( -5.934 0.000 0.000) 5.934 6.531 ( -0.264 0.000 0.000) 0.264 6.707 ( -8.408 0.000 0.000) 8.408 8.284 ( 5.563 -0.000 -0.000) 5.563 8.911 ( 17.745 -0.000 -0.000) 17.745 10.557 ( 6.995 -0.000 -0.000) 6.995 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -0.000 24.619 7.027) 25.602 1.189 ( -0.000 29.185 3.244) 29.364 2.352 ( -0.000 50.959 10.373) 52.004 4.887 ( 0.000 1.682 -2.700) 3.181 5.101 ( -0.000 10.557 -0.026) 10.557 6.239 ( 0.000 1.574 -4.967) 5.211 6.381 ( 0.000 1.452 -1.019) 1.774 6.560 ( -0.000 0.382 3.116) 3.139 6.746 ( -0.000 8.215 0.011) 8.215 8.130 ( 0.000 -6.788 -13.784) 15.365 8.902 ( -0.000 -19.409 10.468) 22.052 10.577 ( 0.000 -5.217 -0.139) 5.218 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 8.557 21.125 6.765) 23.775 1.637 ( 14.453 27.214 2.548) 30.919 2.975 ( 11.494 44.769 5.415) 46.537 4.923 ( 2.926 2.336 -2.586) 4.550 5.243 ( 3.284 12.003 0.903) 12.477 6.223 ( -0.096 -0.577 0.248) 0.635 6.498 ( 8.871 2.717 -2.891) 9.718 6.580 ( 0.178 1.777 1.797) 2.533 6.861 ( 3.864 7.550 -0.078) 8.482 7.987 ( -1.763 -8.071 -14.200) 16.428 8.669 ( -7.102 -21.828 11.277) 25.574 10.418 ( -10.844 -5.772 -3.327) 12.727 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 12.462 16.052 3.684) 20.653 2.191 ( 17.147 25.279 3.136) 30.707 3.623 ( 16.423 32.854 -0.208) 36.730 5.009 ( 4.102 3.755 -1.874) 5.869 5.464 ( 6.824 13.660 2.549) 15.481 6.235 ( 2.157 -2.308 3.604) 4.793 6.599 ( -0.425 4.163 -0.019) 4.184 6.675 ( 7.102 3.870 -3.981) 9.015 7.016 ( 6.477 4.927 0.102) 8.139 7.813 ( -2.665 -9.319 -11.945) 15.383 8.337 ( -10.613 -20.255 11.547) 25.618 10.080 ( -17.921 -6.923 -8.921) 21.182 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 12.196 10.885 0.022) 16.347 2.723 ( 14.233 23.712 2.405) 27.760 4.163 ( 16.726 18.293 -2.655) 24.928 5.118 ( 3.738 5.589 -1.195) 6.829 5.757 ( 8.279 15.432 2.740) 17.726 6.274 ( 3.387 -2.213 4.473) 6.031 6.632 ( -1.316 6.282 -2.348) 6.835 6.787 ( 2.370 4.387 -4.455) 6.687 7.163 ( 5.999 1.787 -1.187) 6.371 7.629 ( -2.790 -11.079 -4.857) 12.415 8.041 ( -7.652 -12.957 10.974) 18.624 9.615 ( -21.246 -8.817 -14.443) 27.161 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 9.334 5.944 -2.777) 11.409 3.152 ( 8.283 21.497 1.005) 23.060 4.542 ( 13.916 6.435 -1.558) 15.411 5.244 ( 3.405 8.301 -0.384) 8.981 6.020 ( 3.208 12.848 -0.495) 13.251 6.350 ( 4.952 0.250 4.222) 6.513 6.657 ( -2.292 6.771 -3.709) 8.053 6.804 ( -1.874 2.441 -4.644) 5.571 7.227 ( 2.657 -1.355 -3.774) 4.811 7.518 ( 1.427 -6.256 5.825) 8.667 7.909 ( -2.684 -5.056 9.030) 10.692 9.098 ( -19.401 -10.735 -17.403) 28.187 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( 5.800 2.195 -3.756) 7.250 3.439 ( 1.698 18.443 0.545) 18.529 4.762 ( 8.893 -0.619 -0.974) 8.967 5.405 ( 3.244 12.172 0.657) 12.613 6.077 ( -6.673 7.078 -3.443) 10.319 6.463 ( 4.068 2.153 2.472) 5.225 6.661 ( -1.815 5.188 -4.470) 7.084 6.785 ( -0.403 1.412 -1.243) 1.924 7.254 ( 3.633 0.091 -3.547) 5.078 7.584 ( 4.622 -0.400 13.328) 14.113 7.838 ( -5.727 -2.167 0.942) 6.195 8.664 ( -9.676 -11.066 -13.047) 19.654 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 2.999 0.100 -2.933) 4.196 3.586 ( -4.460 15.262 1.379) 15.961 4.844 ( 4.335 -3.977 -2.003) 6.215 5.561 ( -2.614 13.705 -1.466) 14.029 5.988 ( -6.049 5.345 -0.909) 8.123 6.524 ( -0.790 2.853 0.541) 3.009 6.679 ( 1.337 2.179 -3.159) 4.064 6.801 ( 0.066 1.427 1.306) 1.936 7.321 ( 2.867 3.690 -4.211) 6.290 7.604 ( -11.103 -2.932 -0.185) 11.485 7.774 ( 6.302 -1.093 8.301) 10.479 8.490 ( 3.256 -7.446 -2.135) 8.403 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 0.216 -1.300 -1.573) 2.052 3.600 ( -10.798 12.145 2.516) 16.445 4.828 ( 0.867 -6.051 -3.517) 7.053 5.518 ( -11.678 8.113 -4.089) 14.796 6.052 ( 2.100 10.009 3.713) 10.880 6.490 ( -4.143 0.077 -2.656) 4.922 6.724 ( 2.778 -0.010 0.767) 2.882 6.812 ( -2.325 3.072 2.505) 4.595 7.364 ( -3.051 4.521 -11.640) 12.855 7.382 ( -5.023 -3.202 0.015) 5.957 7.863 ( 0.396 -2.665 7.543) 8.010 8.614 ( 15.594 -2.661 8.734) 18.070 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -4.437 -3.063 -1.048) 5.492 3.464 ( -17.951 8.149 2.528) 19.876 4.730 ( -2.837 -7.492 -3.773) 8.855 5.371 ( -10.304 4.282 -1.881) 11.316 6.173 ( -3.699 8.484 4.413) 10.253 6.385 ( -4.125 -3.622 -4.099) 6.851 6.754 ( -3.850 5.280 3.524) 7.424 6.823 ( 0.819 2.007 2.087) 3.009 7.256 ( -0.508 -1.045 -6.804) 6.902 7.360 ( -1.958 0.606 -3.152) 3.760 7.820 ( -1.807 -2.484 -0.028) 3.072 8.989 ( 21.813 1.024 14.714) 26.332 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -11.090 -4.582 -1.475) 12.089 3.157 ( -24.785 3.234 1.026) 25.016 4.545 ( -9.656 -7.409 -1.361) 12.247 5.240 ( -8.042 2.038 -0.639) 8.320 6.056 ( -17.127 2.021 2.590) 17.439 6.269 ( -2.192 -4.365 -2.624) 5.544 6.736 ( -6.585 6.708 3.273) 9.953 6.870 ( -1.650 4.243 0.538) 4.585 7.268 ( -1.438 -3.376 -0.491) 3.703 7.350 ( 11.203 0.817 -7.585) 13.554 7.810 ( 3.154 -0.422 -0.857) 3.296 9.443 ( 21.744 2.692 13.041) 25.497 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -17.819 -4.090 -1.627) 18.354 2.700 ( -29.418 -0.124 -0.286) 29.420 4.200 ( -23.766 -5.242 0.564) 24.344 5.127 ( -6.472 0.729 -0.382) 6.525 5.731 ( -19.213 -0.646 0.496) 19.231 6.205 ( -0.245 -3.102 -1.506) 3.457 6.682 ( -6.516 3.394 1.799) 7.564 6.832 ( -6.221 2.942 -0.771) 6.925 7.153 ( -5.856 -2.923 -1.635) 6.746 7.675 ( 23.471 1.744 -1.930) 23.614 7.903 ( 7.028 0.622 -0.482) 7.072 9.862 ( 18.933 2.269 7.355) 20.437 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -22.879 0.000 0.000) 22.879 2.166 ( -31.375 0.000 0.000) 31.375 3.620 ( -39.584 0.000 0.000) 39.584 5.030 ( -5.001 0.000 0.000) 5.001 5.436 ( -14.320 0.000 0.000) 14.320 6.190 ( 0.982 -0.000 -0.000) 0.982 6.603 ( -4.501 0.000 0.000) 4.501 6.724 ( -7.658 0.000 0.000) 7.658 7.013 ( -8.092 0.000 0.000) 8.092 8.038 ( 7.966 -0.000 -0.000) 7.966 8.118 ( 25.898 -0.000 -0.000) 25.898 10.181 ( 14.951 -0.000 -0.000) 14.951 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -0.000 21.342 3.862) 21.689 1.797 ( -0.000 29.375 2.930) 29.521 3.351 ( -0.000 42.877 3.534) 43.023 4.906 ( 0.000 2.473 -3.315) 4.136 5.353 ( -0.000 14.211 2.243) 14.387 6.248 ( 0.000 2.723 -3.856) 4.720 6.407 ( -0.000 1.389 -0.099) 1.393 6.601 ( -0.000 1.499 2.657) 3.050 6.909 ( 0.000 8.258 -1.596) 8.410 7.861 ( 0.000 -9.767 -13.872) 16.965 8.537 ( -0.000 -23.871 9.968) 25.868 10.445 ( 0.000 -7.389 -1.536) 7.547 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 5.078 17.875 2.311) 18.725 2.207 ( 11.703 27.649 2.688) 30.144 3.787 ( 4.568 33.565 -1.222) 33.896 4.959 ( 4.044 3.444 -2.939) 6.071 5.543 ( 2.996 16.636 3.928) 17.354 6.238 ( -1.514 1.569 1.066) 2.427 6.523 ( 9.566 1.970 -2.907) 10.190 6.637 ( 0.898 2.787 0.776) 3.029 6.997 ( 2.095 6.612 -1.940) 7.202 7.698 ( -1.066 -11.536 -11.164) 16.088 8.293 ( -4.757 -21.795 8.276) 23.794 10.253 ( -11.829 -8.239 -3.802) 14.908 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 7.647 12.803 -0.481) 14.921 2.723 ( 15.075 25.503 2.662) 29.745 4.145 ( 6.849 20.326 -3.903) 21.801 5.080 ( 5.763 4.979 -2.238) 7.938 5.813 ( 5.885 18.144 3.593) 19.410 6.250 ( 0.495 0.872 3.997) 4.121 6.685 ( 2.394 3.615 -4.544) 6.281 6.705 ( 7.291 3.838 -2.056) 8.493 7.089 ( 3.482 3.218 -2.202) 5.227 7.519 ( -1.097 -13.600 -5.452) 14.693 8.045 ( -5.007 -14.411 7.004) 16.787 9.862 ( -20.536 -9.099 -7.542) 23.694 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 7.592 7.535 -3.378) 11.217 3.218 ( 11.770 23.892 1.795) 26.695 4.412 ( 8.899 9.077 -2.581) 12.971 5.234 ( 6.063 7.031 -1.337) 9.380 6.088 ( 4.751 14.671 0.046) 15.422 6.306 ( 2.860 1.547 4.502) 5.554 6.730 ( 0.218 4.448 -6.014) 7.483 6.816 ( 1.347 3.716 -3.412) 5.221 7.138 ( 2.370 -2.762 -4.385) 5.698 7.414 ( 4.450 -7.750 3.310) 9.530 7.914 ( -1.359 -5.990 7.135) 9.414 9.334 ( -24.654 -10.224 -10.829) 28.803 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 6.089 3.283 -4.751) 8.392 3.596 ( 4.791 21.858 0.828) 22.392 4.614 ( 8.518 1.973 -0.712) 8.773 5.429 ( 6.985 10.345 -0.169) 12.483 6.228 ( -2.051 8.763 -3.278) 9.578 6.403 ( 4.620 1.405 1.994) 5.224 6.714 ( -0.937 -0.645 -4.172) 4.324 6.836 ( -2.793 6.486 -1.618) 7.245 7.139 ( 5.035 -3.669 -3.542) 7.167 7.520 ( 7.267 1.038 5.836) 9.378 7.898 ( -0.867 -1.728 6.542) 6.821 8.773 ( -21.370 -11.161 -11.298) 26.625 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 4.372 0.821 -4.100) 6.049 3.826 ( -1.997 19.118 1.432) 19.275 4.729 ( 5.066 -2.040 -1.068) 5.565 5.668 ( 5.738 13.613 -0.209) 14.774 6.170 ( -9.088 4.492 -4.018) 10.905 6.485 ( 4.570 -1.193 -1.253) 4.887 6.726 ( -0.576 4.269 -0.661) 4.358 6.827 ( -2.075 2.542 1.173) 3.484 7.229 ( 8.609 -0.324 -2.925) 9.098 7.684 ( 6.699 2.028 7.161) 10.013 7.800 ( -11.936 -1.616 -0.201) 12.046 8.392 ( -4.873 -9.504 -4.246) 11.494 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 2.439 -0.324 -2.412) 3.445 3.923 ( -8.222 16.190 3.192) 18.437 4.743 ( 1.517 -4.705 -2.728) 5.646 5.788 ( -9.165 10.150 -3.554) 14.130 6.112 ( 1.400 7.320 0.089) 7.453 6.533 ( 1.151 -1.523 -0.101) 1.911 6.655 ( -3.178 -2.369 -5.808) 7.031 6.901 ( 1.343 5.993 6.157) 8.696 7.357 ( 4.825 1.006 -2.996) 5.768 7.528 ( -13.617 0.145 -5.399) 14.649 7.831 ( 4.685 -0.845 8.680) 9.900 8.361 ( 9.601 -5.990 2.866) 11.674 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( -0.947 -1.111 -1.098) 1.826 3.874 ( -15.762 11.750 3.855) 20.035 4.679 ( -0.842 -6.004 -3.880) 7.198 5.615 ( -13.962 4.091 -2.346) 14.737 6.285 ( 3.465 10.513 1.297) 11.145 6.420 ( -6.399 -2.989 -4.136) 8.185 6.672 ( 7.644 -4.926 0.574) 9.112 6.978 ( -3.944 8.613 5.564) 10.986 7.298 ( -5.997 -3.618 -0.077) 7.004 7.398 ( -3.798 3.340 -7.696) 9.209 7.844 ( -2.727 -2.267 2.295) 4.224 8.632 ( 22.668 -2.056 8.097) 24.158 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -6.454 -1.426 -0.579) 6.635 3.626 ( -23.476 4.779 1.767) 24.022 4.585 ( -3.035 -3.867 -1.997) 5.306 5.419 ( -11.045 1.469 -0.627) 11.160 6.280 ( -4.477 -1.852 -0.823) 4.915 6.342 ( -9.007 3.833 0.267) 9.792 6.805 ( 10.400 -0.292 0.596) 10.421 6.962 ( -8.705 6.296 3.983) 11.458 7.208 ( -0.715 -1.574 -0.693) 1.863 7.309 ( -3.725 -1.402 -5.168) 6.523 7.782 ( -1.296 -0.881 -0.160) 1.575 9.081 ( 25.523 0.236 6.046) 26.231 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -12.783 0.000 0.000) 12.783 3.201 ( -27.880 0.000 0.000) 27.880 4.459 ( -9.988 0.000 0.000) 9.988 5.258 ( -8.405 0.000 0.000) 8.405 6.088 ( -20.240 0.000 0.000) 20.240 6.211 ( -2.328 0.000 0.000) 2.328 6.842 ( -8.886 0.000 0.000) 8.886 6.917 ( -0.559 0.000 0.000) 0.559 7.210 ( -2.614 0.000 0.000) 2.614 7.329 ( 14.263 -0.000 -0.000) 14.263 7.804 ( 4.077 -0.000 -0.000) 4.077 9.520 ( 23.171 -0.000 -0.000) 23.171 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -0.000 16.394 -0.190) 16.395 2.388 ( -0.000 27.180 2.826) 27.327 4.054 ( 0.000 27.006 -4.462) 27.372 4.945 ( 0.000 3.950 -2.895) 4.898 5.714 ( -0.000 18.750 5.734) 19.607 6.293 ( 0.000 3.621 -1.316) 3.853 6.428 ( 0.000 0.688 -0.184) 0.712 6.653 ( -0.000 2.135 1.051) 2.380 7.044 ( 0.000 7.157 -2.933) 7.735 7.542 ( 0.000 -14.110 -8.613) 16.532 8.150 ( -0.000 -18.536 5.073) 19.218 10.256 ( 0.000 -10.021 -3.122) 10.496 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 2.886 12.482 -2.270) 13.010 2.753 ( 10.508 24.519 2.618) 26.804 4.260 ( 0.719 17.050 -6.151) 18.140 5.024 ( 4.734 5.151 -2.389) 7.393 5.940 ( 2.188 17.695 4.875) 18.484 6.294 ( -1.932 2.530 2.208) 3.874 6.534 ( 9.194 1.410 -2.932) 9.753 6.697 ( 2.281 2.854 -0.107) 3.655 7.103 ( -0.114 6.182 -3.197) 6.961 7.362 ( -0.174 -15.787 -4.515) 16.421 7.995 ( -2.055 -10.631 3.456) 11.367 10.030 ( -12.028 -11.204 -4.730) 17.104 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 4.404 7.706 -4.407) 9.909 3.222 ( 14.758 22.113 2.182) 26.674 4.393 ( 2.732 8.677 -4.223) 10.029 5.177 ( 6.991 6.298 -1.872) 9.594 6.147 ( 3.378 10.908 0.942) 11.458 6.312 ( 0.321 1.921 3.521) 4.024 6.667 ( 5.408 0.441 -6.574) 8.524 6.808 ( 5.377 5.114 -0.429) 7.433 7.096 ( -0.992 -3.011 -5.510) 6.357 7.265 ( 3.606 -4.871 3.425) 6.961 7.913 ( -1.412 -2.199 4.061) 4.829 9.601 ( -21.128 -11.921 -6.806) 25.196 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 4.829 3.636 -5.466) 8.150 3.678 ( 11.521 20.619 1.050) 23.643 4.511 ( 5.499 2.679 -0.993) 6.197 5.379 ( 8.892 8.230 -0.999) 12.157 6.270 ( 2.821 3.239 -2.886) 5.174 6.368 ( 2.432 2.082 3.093) 4.451 6.670 ( -0.105 -4.231 -4.978) 6.534 6.900 ( 3.707 1.804 -3.957) 5.715 7.082 ( -1.392 5.363 -2.481) 6.071 7.381 ( 10.167 -0.887 5.629) 11.655 7.922 ( -0.532 2.807 4.988) 5.748 9.044 ( -25.245 -12.060 -7.866) 29.062 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 4.681 1.192 -4.652) 6.706 4.012 ( 3.900 18.782 0.530) 19.190 4.616 ( 5.597 -1.713 0.311) 5.862 5.645 ( 10.674 11.231 -0.285) 15.497 6.288 ( -0.741 -0.585 -4.051) 4.159 6.406 ( -0.694 -0.700 -3.364) 3.505 6.670 ( 7.494 -1.934 6.496) 10.104 6.981 ( -1.181 6.989 -3.920) 8.100 7.066 ( 0.018 0.417 -3.432) 3.458 7.590 ( 10.241 1.261 4.247) 11.158 7.940 ( -4.371 2.310 3.533) 6.077 8.494 ( -19.729 -10.260 -5.786) 22.978 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 4.000 0.170 -2.683) 4.820 4.198 ( -2.917 16.181 2.091) 16.575 4.654 ( 2.655 -5.093 -1.131) 5.854 5.930 ( 6.204 12.754 -1.129) 14.228 6.191 ( -6.557 0.349 -2.573) 7.053 6.399 ( 5.861 -5.690 -1.859) 8.377 6.817 ( -11.758 4.399 -3.095) 12.930 6.903 ( 5.593 3.113 7.733) 10.038 7.179 ( 11.664 -2.591 -4.355) 12.718 7.745 ( -2.387 2.813 -3.053) 4.789 7.790 ( -5.919 -1.511 5.303) 8.089 8.230 ( -1.240 -5.341 0.324) 5.492 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 2.123 -0.180 -0.925) 2.323 4.236 ( -10.636 10.885 3.301) 15.573 4.610 ( 0.653 -5.879 -2.767) 6.531 5.898 ( -14.458 3.005 -1.595) 14.853 6.276 ( 8.058 8.778 -0.854) 11.946 6.462 ( 8.261 -6.629 0.672) 10.613 6.558 ( -12.954 -1.591 -2.888) 13.367 7.085 ( 3.103 7.154 4.916) 9.218 7.279 ( 3.302 -5.611 -2.211) 6.876 7.554 ( -10.806 3.233 -2.697) 11.598 7.854 ( 1.652 -0.616 2.427) 3.000 8.292 ( 13.584 -2.696 2.283) 14.035 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -1.534 0.000 0.000) 1.534 4.035 ( -19.177 0.000 0.000) 19.177 4.582 ( 0.022 -0.000 -0.000) 0.022 5.648 ( -14.524 0.000 0.000) 14.524 6.366 ( -7.547 0.000 0.000) 7.547 6.432 ( 1.692 -0.000 -0.000) 1.692 6.589 ( 11.774 -0.000 -0.000) 11.774 7.170 ( -7.943 0.000 0.000) 7.943 7.190 ( 1.361 -0.000 -0.000) 1.361 7.401 ( -8.370 0.000 0.000) 8.370 7.828 ( -3.513 0.000 0.000) 3.513 8.643 ( 25.229 -0.000 -0.000) 25.229 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 0.000 9.816 -4.286) 10.711 2.896 ( -0.000 21.239 2.416) 21.376 4.373 ( 0.000 10.917 -7.433) 13.207 5.029 ( 0.000 6.206 -1.517) 6.389 6.098 ( -0.000 12.456 4.366) 13.199 6.368 ( -0.000 3.835 0.971) 3.956 6.431 ( 0.000 -0.018 -0.357) 0.357 6.692 ( 0.000 1.455 -0.801) 1.661 7.117 ( 0.000 -8.067 -7.805) 11.225 7.243 ( -0.000 1.202 1.431) 1.869 7.950 ( -0.000 -3.196 2.525) 4.073 9.995 ( 0.000 -13.376 -4.722) 14.185 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 1.621 6.067 -5.560) 8.388 3.195 ( 10.951 17.561 1.976) 20.790 4.429 ( 0.180 5.653 -5.619) 7.972 5.132 ( 4.481 6.793 -1.069) 8.208 6.193 ( 0.516 3.681 1.402) 3.972 6.354 ( -2.003 1.580 2.333) 3.457 6.545 ( 7.490 1.643 -2.285) 8.001 6.742 ( 4.963 1.685 -0.894) 5.317 6.964 ( 1.195 -13.154 -6.950) 14.925 7.318 ( -1.590 9.851 2.662) 10.327 7.962 ( -1.100 5.414 3.876) 6.749 9.733 ( -11.522 -14.772 -5.735) 19.592 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 2.922 2.850 -5.662) 6.980 3.611 ( 16.528 15.052 1.216) 22.387 4.469 ( 1.951 2.067 -2.256) 3.628 5.301 ( 7.706 6.859 -0.824) 10.349 6.214 ( 1.758 -2.849 -1.529) 3.680 6.370 ( 1.041 1.663 3.532) 4.040 6.616 ( 1.078 -1.447 -4.954) 5.273 6.795 ( 3.281 -3.453 -5.910) 7.591 7.011 ( 13.841 0.115 1.018) 13.879 7.370 ( -3.277 6.710 2.801) 7.976 8.037 ( -2.632 11.517 5.147) 12.887 9.283 ( -19.950 -15.147 -6.491) 25.876 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 3.976 0.971 -4.246) 5.898 4.028 ( 13.803 13.410 -0.051) 19.244 4.519 ( 3.481 -1.281 0.501) 3.743 5.538 ( 11.886 7.677 -0.298) 14.153 6.196 ( 2.513 -5.664 -2.914) 6.847 6.439 ( 0.709 2.517 0.436) 2.652 6.558 ( 1.561 -4.230 0.774) 4.575 6.858 ( 7.414 -0.301 -4.859) 8.870 7.243 ( 0.810 8.780 -2.384) 9.134 7.399 ( 7.344 -2.010 5.108) 9.168 8.104 ( -6.064 11.411 4.528) 13.693 8.735 ( -22.428 -13.886 -5.908) 27.032 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 4.503 0.209 -1.947) 4.910 4.327 ( 6.259 11.961 -0.204) 13.502 4.545 ( 2.528 -5.639 0.733) 6.223 5.852 ( 14.264 8.327 -0.014) 16.516 6.180 ( 3.201 -5.895 -1.676) 6.914 6.360 ( -6.263 -0.668 -2.359) 6.726 6.721 ( 14.540 0.571 5.751) 15.647 6.973 ( 7.670 -0.488 -3.954) 8.643 7.143 ( -15.212 4.150 -1.270) 15.819 7.618 ( 12.745 -0.337 1.779) 12.873 8.029 ( -15.031 3.755 1.291) 15.547 8.294 ( -11.070 -6.180 -1.920) 12.823 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 4.004 -0.000 -0.000) 4.004 4.453 ( -5.366 0.000 0.000) 5.366 4.518 ( 4.345 -0.000 -0.000) 4.345 6.120 ( -7.861 0.000 0.000) 7.861 6.151 ( 12.800 -0.000 -0.000) 12.800 6.296 ( 2.929 -0.000 -0.000) 2.929 6.843 ( -19.500 0.000 0.000) 19.500 7.040 ( 17.203 -0.000 -0.000) 17.203 7.069 ( 5.382 -0.000 -0.000) 5.382 7.771 ( -13.564 0.000 0.000) 13.564 7.788 ( 6.408 -0.000 -0.000) 6.408 8.179 ( -0.791 0.000 0.000) 0.791 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 0.000 3.519 -5.943) 6.907 3.250 ( -0.000 12.572 1.504) 12.662 4.446 ( 0.000 2.321 -5.038) 5.547 5.161 ( -0.000 7.036 -0.127) 7.037 6.200 ( -0.000 -2.291 0.517) 2.348 6.432 ( -0.000 -0.364 1.224) 1.277 6.453 ( -0.000 3.431 2.239) 4.097 6.693 ( 0.000 -0.296 -2.145) 2.165 6.807 ( 0.000 -9.900 -8.433) 13.005 7.439 ( -0.000 8.301 1.910) 8.518 8.092 ( -0.000 14.690 5.718) 15.763 9.652 ( 0.000 -17.033 -5.990) 18.055 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 1.277 1.465 -4.885) 5.257 3.469 ( 12.303 8.727 0.953) 15.114 4.450 ( 0.842 0.539 -2.739) 2.916 5.260 ( 3.964 5.699 -0.009) 6.942 6.162 ( -0.228 -4.129 -0.523) 4.168 6.395 ( -1.491 0.549 2.814) 3.231 6.560 ( 3.856 1.007 -1.218) 4.167 6.696 ( 0.662 -4.408 -6.452) 7.842 6.776 ( 10.666 -1.287 -0.327) 10.749 7.490 ( -2.068 4.582 1.071) 5.140 8.268 ( -2.821 19.013 6.573) 20.314 9.361 ( -10.565 -17.682 -6.277) 21.533 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 2.702 0.432 -2.622) 3.790 3.823 ( 18.905 5.429 0.273) 19.671 4.470 ( 1.861 -0.209 -0.520) 1.943 5.412 ( 8.529 3.620 -0.051) 9.266 6.118 ( 0.146 -3.399 -1.043) 3.558 6.419 ( 2.545 0.776 2.416) 3.594 6.549 ( -2.750 -1.637 -2.512) 4.069 6.718 ( 6.459 -0.633 -2.829) 7.080 7.031 ( 17.369 0.420 0.657) 17.386 7.471 ( -4.364 2.039 0.703) 4.868 8.390 ( -6.744 16.573 5.523) 18.726 8.915 ( -18.202 -15.795 -5.618) 24.746 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 3.942 -0.000 -0.000) 3.942 4.173 ( 16.690 -0.000 -0.000) 16.690 4.497 ( 1.318 -0.000 -0.000) 1.318 5.630 ( 14.234 -0.000 -0.000) 14.234 6.106 ( 1.246 -0.000 -0.000) 1.246 6.459 ( -5.414 0.000 0.000) 5.414 6.525 ( 8.594 -0.000 -0.000) 8.594 6.836 ( 7.589 -0.000 -0.000) 7.589 7.347 ( 17.740 -0.000 -0.000) 17.740 7.373 ( -8.754 0.000 0.000) 8.754 8.388 ( -7.816 0.000 0.000) 7.816 8.427 ( -22.782 0.000 0.000) 22.782 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 0.000 0.439 -2.848) 2.881 3.420 ( -0.000 3.975 0.480) 4.004 4.434 ( 0.000 -0.219 -1.594) 1.609 5.273 ( -0.000 3.299 0.197) 3.305 6.130 ( 0.000 -2.637 -0.299) 2.654 6.432 ( -0.000 -0.518 1.464) 1.553 6.529 ( -0.000 2.167 1.949) 2.915 6.638 ( 0.000 -2.607 -4.362) 5.081 6.656 ( 0.000 -1.283 -1.963) 2.345 7.540 ( -0.000 1.862 0.376) 1.899 8.511 ( -0.000 17.652 5.834) 18.591 9.258 ( 0.000 -15.798 -5.329) 16.673 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 1.314 -0.000 -0.000) 1.314 3.559 ( 13.044 -0.000 -0.000) 13.044 4.441 ( 1.202 -0.000 -0.000) 1.202 5.323 ( 3.913 -0.000 -0.000) 3.913 6.108 ( -0.719 0.000 0.000) 0.719 6.412 ( -0.850 0.000 0.000) 0.850 6.564 ( 0.604 -0.000 -0.000) 0.604 6.624 ( 2.160 -0.000 -0.000) 2.160 6.767 ( 12.492 -0.000 -0.000) 12.492 7.534 ( -1.863 0.000 0.000) 1.863 8.598 ( -3.474 0.000 0.000) 3.474 9.058 ( -10.593 0.000 0.000) 10.593 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( -0.000 -0.000 26.760) 26.760 0.298 ( -0.000 -0.000 26.760) 26.760 0.523 ( -0.000 -0.000 47.204) 47.204 4.864 ( 0.000 0.000 -1.486) 1.486 4.864 ( 0.000 0.000 -1.486) 1.486 6.243 ( 0.000 0.000 -2.316) 2.316 6.243 ( 0.000 0.000 -2.316) 2.316 6.553 ( -0.000 -0.000 3.028) 3.028 6.553 ( -0.000 -0.000 3.028) 3.028 8.316 ( 0.000 0.000 -11.719) 11.719 9.181 ( -0.000 -0.000 8.430) 8.430 10.744 ( 0.000 0.000 -0.179) 0.179 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 21.402 12.356 14.347) 28.575 0.768 ( 22.110 12.765 16.556) 30.429 1.264 ( 39.889 23.030 20.137) 50.270 4.877 ( 1.355 0.782 -1.509) 2.174 4.916 ( 5.228 3.018 -1.816) 6.304 6.272 ( 2.194 1.266 -1.488) 2.937 6.392 ( 6.394 3.692 -3.782) 8.296 6.562 ( -0.468 -0.270 3.913) 3.950 6.625 ( 5.146 2.971 3.058) 6.682 8.235 ( -2.790 -1.611 -14.063) 14.427 9.191 ( -6.951 -4.013 8.406) 11.622 10.586 ( -8.423 -4.863 -2.421) 10.023 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 21.845 12.612 8.357) 26.573 1.353 ( 23.880 13.787 11.283) 29.793 2.277 ( 42.302 24.423 7.859) 49.474 4.915 ( 2.410 1.391 -1.372) 3.102 5.083 ( 9.324 5.383 -0.539) 10.780 6.332 ( 3.339 1.928 -1.230) 4.047 6.509 ( 3.963 2.288 2.624) 5.275 6.555 ( -1.497 -0.864 3.984) 4.343 6.795 ( 8.476 4.894 2.413) 10.080 8.094 ( -4.623 -2.669 -14.810) 15.743 8.953 ( -16.189 -9.346 12.206) 22.325 10.338 ( -11.326 -6.539 -10.790) 16.955 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 20.354 11.751 3.280) 23.730 1.932 ( 23.101 13.338 7.528) 27.717 3.232 ( 38.474 22.213 1.581) 44.454 4.975 ( 3.051 1.761 -1.068) 3.681 5.327 ( 11.308 6.529 2.136) 13.231 6.414 ( 4.059 2.343 -0.972) 4.786 6.523 ( -2.201 -1.271 2.811) 3.789 6.585 ( 1.430 0.825 3.874) 4.211 7.011 ( 8.970 5.179 1.909) 10.532 7.926 ( -5.226 -3.017 -13.476) 14.766 8.575 ( -19.845 -11.457 14.296) 27.008 9.984 ( -14.713 -8.494 -17.980) 24.736 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 16.638 9.606 -0.748) 19.226 2.453 ( 19.931 11.507 4.312) 23.414 4.030 ( 30.392 17.547 -2.008) 35.152 5.042 ( 2.993 1.728 -0.745) 3.535 5.605 ( 11.415 6.591 4.340) 13.877 6.463 ( -2.024 -1.169 3.867) 4.519 6.525 ( 4.376 2.527 -3.212) 5.988 6.603 ( -0.621 -0.358 1.861) 1.994 7.187 ( 5.365 3.098 -0.434) 6.211 7.765 ( -5.081 -2.934 -8.479) 10.311 8.200 ( -16.303 -9.412 16.192) 24.831 9.545 ( -16.266 -9.391 -23.459) 30.052 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 11.202 6.468 -3.397) 13.374 2.868 ( 14.887 8.595 2.054) 17.312 4.601 ( 20.017 11.557 -2.449) 23.243 5.100 ( 2.125 1.227 -0.540) 2.512 5.846 ( 6.963 4.020 2.826) 8.523 6.428 ( -1.638 -0.946 2.565) 3.187 6.584 ( -0.325 -0.188 -1.375) 1.425 6.627 ( 4.841 2.795 -2.504) 6.126 7.246 ( 1.078 0.623 -4.220) 4.400 7.652 ( -3.175 -1.833 4.163) 5.547 7.971 ( -8.851 -5.110 12.175) 15.895 9.099 ( -14.043 -8.107 -24.022) 28.983 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 5.905 3.409 -4.171) 7.994 3.149 ( 9.044 5.221 1.100) 10.501 4.947 ( 11.173 6.451 -2.484) 13.139 5.135 ( 1.013 0.585 -0.132) 1.177 5.897 ( -2.163 -1.249 -0.537) 2.555 6.411 ( -0.613 -0.354 1.849) 1.980 6.615 ( 3.489 2.014 -3.096) 5.081 6.720 ( 3.789 2.187 -1.863) 4.755 7.246 ( 0.988 0.570 -5.120) 5.245 7.671 ( -0.461 -0.266 20.753) 20.760 7.824 ( -5.144 -2.970 -4.070) 7.201 8.767 ( -7.796 -4.501 -15.441) 17.873 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 2.380 1.374 -3.323) 4.313 3.292 ( 2.980 1.721 1.002) 3.584 5.095 ( 2.898 1.673 -6.905) 7.673 5.151 ( 0.372 0.215 0.774) 0.886 5.840 ( -1.005 -0.580 2.114) 2.412 6.407 ( -0.347 -0.200 1.290) 1.351 6.686 ( 2.962 1.710 -1.768) 3.850 6.779 ( 1.702 0.983 -1.337) 2.377 7.261 ( 1.743 1.006 -5.280) 5.650 7.561 ( -8.906 -5.142 -3.193) 10.768 7.872 ( 3.639 2.101 13.685) 14.315 8.647 ( 0.827 0.478 -2.873) 3.028 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( -0.404 -0.233 -2.058) 2.110 3.293 ( -3.268 -1.887 1.093) 3.928 5.045 ( -3.583 -2.068 -10.070) 10.887 5.157 ( -0.247 -0.142 1.319) 1.350 5.896 ( 3.782 2.183 5.949) 7.380 6.400 ( -0.572 -0.330 0.648) 0.926 6.717 ( -0.740 -0.427 0.443) 0.963 6.786 ( -0.733 -0.423 -0.674) 1.082 7.269 ( 1.226 0.708 -11.449) 11.536 7.383 ( -4.138 -2.389 -2.636) 5.457 7.921 ( -3.162 -1.826 8.894) 9.614 8.808 ( 11.221 6.478 11.256) 17.163 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -5.062 -2.923 -1.701) 6.087 3.146 ( -9.908 -5.720 0.791) 11.468 4.886 ( -7.541 -4.354 -6.923) 11.124 5.143 ( -1.407 -0.812 0.554) 1.716 5.982 ( -0.454 -0.262 5.958) 5.981 6.388 ( -0.453 -0.261 -0.240) 0.575 6.645 ( -4.410 -2.546 -1.074) 5.204 6.745 ( -2.666 -1.539 0.415) 3.106 7.278 ( 5.451 3.147 -13.635) 15.018 7.343 ( -1.145 -0.661 2.935) 3.219 7.854 ( -2.546 -1.470 0.587) 2.998 9.182 ( 15.185 8.767 19.639) 26.327 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -11.729 -6.772 -2.592) 13.790 2.839 ( -16.799 -9.699 -0.427) 19.403 4.612 ( -16.282 -9.401 -1.598) 18.869 5.097 ( -2.447 -1.413 -0.856) 2.952 5.853 ( -11.423 -6.595 3.422) 13.627 6.381 ( 0.189 0.109 -1.575) 1.590 6.569 ( -1.470 -0.849 -2.689) 3.180 6.672 ( -3.813 -2.201 1.611) 4.688 7.295 ( -3.946 -2.278 -0.405) 4.574 7.465 ( 14.729 8.504 -9.781) 19.619 7.856 ( 2.809 1.622 -0.134) 3.246 9.612 ( 15.144 8.743 20.670) 27.074 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -17.977 -10.379 -3.709) 21.087 2.377 ( -22.589 -13.042 -2.251) 26.181 4.077 ( -30.456 -17.584 2.028) 35.226 5.031 ( -2.701 -1.559 -1.693) 3.548 5.573 ( -12.231 -7.062 1.450) 14.197 6.379 ( 0.195 0.112 -3.616) 3.623 6.529 ( -1.320 -0.762 -4.406) 4.662 6.591 ( -3.659 -2.113 2.641) 4.983 7.156 ( -7.246 -4.183 -2.923) 8.863 7.860 ( 21.171 12.223 -8.563) 25.903 7.967 ( 6.065 3.502 3.540) 7.847 10.010 ( 13.112 7.570 17.241) 22.945 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -22.185 -12.808 -3.790) 25.896 1.804 ( -25.823 -14.909 -3.474) 30.019 3.253 ( -41.087 -23.722 3.739) 47.590 4.965 ( -2.374 -1.371 -1.803) 3.281 5.318 ( -10.452 -6.034 0.907) 12.103 6.351 ( -1.386 -0.800 -5.013) 5.262 6.472 ( -1.951 -1.126 -5.196) 5.663 6.539 ( -1.535 -0.886 2.753) 3.274 6.957 ( -8.732 -5.041 -2.649) 10.425 8.109 ( 7.059 4.076 -3.432) 8.844 8.359 ( 21.230 12.257 1.084) 24.538 10.329 ( 9.848 5.686 11.711) 16.324 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -24.146 -13.941 -1.286) 27.911 1.186 ( -26.458 -15.276 -2.663) 30.667 2.256 ( -46.348 -26.759 6.308) 53.889 4.911 ( -1.707 -0.986 -1.609) 2.544 5.098 ( -8.684 -5.013 0.497) 10.039 6.292 ( -1.748 -1.009 -4.492) 4.924 6.410 ( -1.678 -0.969 -4.185) 4.612 6.532 ( -0.115 -0.067 1.883) 1.888 6.754 ( -7.969 -4.601 -1.247) 9.286 8.242 ( 5.577 3.220 -5.154) 8.248 8.817 ( 17.099 9.872 3.660) 20.081 10.545 ( 6.084 3.513 5.837) 9.134 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -0.000 21.488 13.808) 25.542 0.787 ( -0.000 18.628 21.852) 28.715 1.419 ( -0.000 45.469 23.023) 50.965 4.854 ( 0.000 0.711 -2.681) 2.774 4.923 ( 0.000 6.642 -1.619) 6.836 6.206 ( 0.000 -0.093 -4.202) 4.203 6.339 ( 0.000 3.645 -2.570) 4.460 6.573 ( -0.000 -0.302 3.733) 3.745 6.626 ( -0.000 4.128 3.790) 5.604 8.178 ( 0.000 -3.421 -15.970) 16.332 9.224 ( -0.000 -7.670 9.683) 12.353 10.653 ( 0.000 -4.143 -1.553) 4.425 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 13.402 19.318 11.360) 26.112 1.179 ( 18.401 18.173 13.895) 29.359 2.113 ( 18.898 42.741 12.860) 48.470 4.878 ( 2.564 1.226 -2.610) 3.859 5.032 ( 4.279 9.030 -0.892) 10.032 6.248 ( 4.610 -1.455 -1.307) 5.008 6.437 ( 7.410 2.825 -1.847) 8.142 6.577 ( -0.757 -0.578 3.757) 3.876 6.734 ( 5.210 5.398 2.669) 7.962 8.058 ( -2.115 -4.669 -16.448) 17.228 9.086 ( -7.870 -14.403 11.925) 20.287 10.482 ( -12.387 -3.271 -5.855) 14.086 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 15.770 15.113 7.189) 22.995 1.758 ( 20.267 19.453 8.413) 29.325 2.940 ( 27.074 34.355 4.225) 43.945 4.939 ( 3.253 2.464 -2.156) 4.616 5.240 ( 8.497 9.859 1.512) 13.102 6.311 ( 5.095 -2.762 1.218) 5.922 6.554 ( -1.117 0.447 2.902) 3.142 6.591 ( 4.620 3.027 -1.111) 5.634 6.917 ( 8.309 5.322 1.625) 10.000 7.903 ( -3.052 -5.160 -15.099) 16.246 8.775 ( -13.886 -17.588 13.304) 26.061 10.146 ( -17.824 -4.507 -12.431) 22.194 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 15.553 11.871 1.255) 19.605 2.306 ( 17.563 19.036 5.531) 26.485 3.717 ( 27.366 24.323 -1.045) 36.628 5.019 ( 3.011 3.773 -1.677) 5.111 5.518 ( 10.270 10.239 4.304) 15.127 6.372 ( 5.205 -4.883 2.989) 7.738 6.535 ( -2.132 2.392 0.214) 3.211 6.677 ( 0.524 4.865 -1.580) 5.142 7.108 ( 7.410 3.436 0.013) 8.168 7.751 ( -2.644 -5.097 -11.350) 12.720 8.401 ( -14.314 -16.233 15.098) 26.389 9.699 ( -20.423 -6.533 -18.761) 28.491 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 12.576 8.057 -3.017) 15.237 2.769 ( 13.005 17.218 3.009) 21.786 4.334 ( 22.464 13.650 -2.905) 26.446 5.103 ( 2.069 5.264 -1.178) 5.777 5.800 ( 7.916 9.431 4.337) 13.054 6.408 ( 3.183 -4.449 3.964) 6.755 6.543 ( -0.283 3.451 -1.982) 3.989 6.699 ( -2.481 5.785 -3.524) 7.214 7.212 ( 2.636 0.931 -3.440) 4.433 7.645 ( -0.258 -4.387 -3.289) 5.489 8.117 ( -9.515 -10.493 16.310) 21.602 9.204 ( -18.660 -7.853 -22.285) 30.108 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 8.305 4.364 -5.085) 10.671 3.112 ( 7.456 14.371 1.695) 16.279 4.734 ( 15.061 3.633 -3.155) 15.811 5.191 ( 0.830 8.568 -0.612) 8.630 5.949 ( -1.105 4.738 0.976) 4.962 6.439 ( 0.915 0.741 2.865) 3.098 6.565 ( 1.220 2.232 -3.124) 4.028 6.714 ( 0.130 4.792 -3.271) 5.804 7.223 ( 0.758 0.854 -5.039) 5.167 7.664 ( 5.281 -1.494 8.211) 9.876 7.932 ( -9.987 -6.200 8.559) 14.541 8.791 ( -10.262 -7.428 -17.423) 21.542 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 4.634 1.808 -4.984) 7.042 3.323 ( 1.577 11.186 1.599) 11.410 4.910 ( 7.865 -3.635 -4.426) 9.729 5.290 ( -1.946 12.152 -1.696) 12.423 5.908 ( -5.017 2.238 0.820) 5.554 6.457 ( -2.097 3.309 1.793) 4.308 6.628 ( 4.402 1.917 -3.159) 5.747 6.761 ( 1.359 2.664 -1.545) 3.366 7.239 ( 1.094 2.514 -5.154) 5.838 7.678 ( -12.391 -5.122 -5.341) 14.432 7.837 ( 8.276 -0.133 18.060) 19.867 8.599 ( -0.197 -4.764 -6.034) 7.690 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 1.927 0.209 -3.772) 4.241 3.400 ( -4.649 8.111 2.008) 9.562 4.931 ( 3.051 -6.147 -6.486) 9.443 5.312 ( -7.209 10.166 -3.502) 12.945 5.914 ( 1.009 5.118 4.550) 6.922 6.449 ( -2.894 2.724 0.667) 4.030 6.706 ( 2.713 1.356 -0.569) 3.086 6.786 ( 0.080 0.804 -0.895) 1.205 7.247 ( -1.193 2.754 -10.217) 10.649 7.434 ( -6.800 -3.045 -4.011) 8.462 7.973 ( -0.074 -3.582 14.861) 15.287 8.668 ( 11.906 0.428 5.390) 13.076 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( -1.783 -1.947 -2.905) 3.925 3.335 ( -11.492 4.912 2.140) 12.680 4.857 ( -0.909 -6.902 -7.360) 10.130 5.254 ( -7.174 6.115 -1.457) 9.539 6.032 ( 1.316 6.654 5.474) 8.716 6.414 ( -2.632 -0.002 -0.969) 2.804 6.697 ( -4.333 0.223 0.057) 4.339 6.794 ( -0.698 1.620 0.199) 1.775 7.194 ( 0.404 1.879 -13.136) 13.275 7.366 ( -1.258 -0.577 2.029) 2.456 7.899 ( -4.992 -4.613 4.262) 8.023 9.013 ( 19.035 3.327 15.481) 24.760 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -7.933 -5.201 -3.090) 9.976 3.110 ( -18.846 1.025 1.283) 18.917 4.703 ( -6.506 -8.409 -4.524) 11.555 5.180 ( -6.270 3.146 -0.872) 7.069 6.035 ( -10.023 1.245 4.926) 11.237 6.353 ( -1.170 -3.930 -1.965) 4.547 6.626 ( -4.834 3.699 0.432) 6.102 6.778 ( -4.277 3.930 -0.201) 5.811 7.264 ( 10.293 3.486 -9.087) 14.166 7.329 ( -2.724 -2.203 -0.532) 3.544 7.826 ( 0.452 -1.309 0.390) 1.438 9.448 ( 19.474 3.662 17.460) 26.410 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -15.007 -8.064 -3.535) 17.399 2.718 ( -25.450 -2.651 -0.309) 25.590 4.381 ( -19.728 -11.460 -0.632) 22.823 5.096 ( -5.560 1.553 -1.482) 5.960 5.778 ( -16.933 -3.569 3.220) 17.602 6.295 ( 0.944 -5.843 -2.158) 6.300 6.598 ( -4.331 4.892 0.450) 6.549 6.725 ( -6.690 5.219 -1.506) 8.618 7.217 ( -5.602 -3.875 -3.003) 7.444 7.562 ( 20.384 7.130 -7.250) 22.779 7.892 ( 6.092 1.139 2.013) 6.516 9.862 ( 17.396 2.805 14.453) 22.790 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -20.931 -8.804 -2.655) 22.862 2.198 ( -29.773 -4.098 -1.388) 30.085 3.769 ( -36.475 -13.352 2.083) 38.898 5.014 ( -4.494 0.854 -1.815) 4.921 5.479 ( -13.818 -3.859 1.653) 14.442 6.250 ( 1.624 -5.881 -2.360) 6.541 6.570 ( -3.933 3.731 0.168) 5.424 6.645 ( -7.519 5.014 -2.246) 9.312 7.049 ( -7.866 -3.664 -2.659) 9.076 7.953 ( 14.862 5.619 -11.892) 19.847 8.101 ( 17.600 3.886 9.113) 20.196 10.197 ( 14.151 0.858 8.767) 16.669 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -24.898 -5.805 1.359) 25.602 1.628 ( -31.372 -2.263 -0.670) 31.461 2.920 ( -47.438 -11.438 4.245) 48.981 4.947 ( -3.368 0.647 -1.666) 3.812 5.235 ( -11.293 -2.705 0.602) 11.628 6.226 ( 1.668 -2.696 -1.124) 3.363 6.532 ( -5.571 4.469 -2.884) 7.702 6.564 ( -4.007 1.296 0.922) 4.311 6.867 ( -8.988 -1.727 -0.902) 9.197 8.123 ( 7.953 2.136 -9.426) 12.516 8.559 ( 22.680 4.327 7.649) 24.323 10.425 ( 10.573 -2.137 2.108) 10.991 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -0.000 26.208 8.132) 27.441 1.305 ( -0.000 18.865 15.853) 24.642 2.470 ( -0.000 46.342 10.489) 47.515 4.854 ( 0.000 1.549 -3.406) 3.741 5.099 ( -0.000 11.605 -0.288) 11.609 6.188 ( 0.000 1.550 -4.188) 4.466 6.384 ( -0.000 1.676 1.282) 2.110 6.597 ( -0.000 0.106 3.478) 3.479 6.756 ( -0.000 6.497 1.739) 6.726 7.959 ( 0.000 -6.076 -16.734) 17.803 9.027 ( -0.000 -19.532 11.891) 22.867 10.545 ( 0.000 -4.452 -5.326) 6.942 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 7.263 17.172 10.348) 21.324 1.690 ( 14.856 24.758 7.387) 29.803 3.029 ( 9.660 41.249 3.994) 42.553 4.891 ( 3.448 2.277 -3.138) 5.188 5.256 ( 3.618 13.294 1.519) 13.861 6.225 ( 3.081 0.032 0.006) 3.081 6.475 ( 7.486 2.026 -1.026) 7.823 6.603 ( -1.067 0.929 2.463) 2.840 6.865 ( 4.349 6.169 0.667) 7.577 7.824 ( -1.242 -6.708 -15.305) 16.757 8.796 ( -6.617 -22.820 11.591) 26.437 10.354 ( -13.304 -4.533 -8.094) 16.219 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 10.467 13.778 4.012) 17.762 2.242 ( 17.097 23.463 5.998) 29.644 3.614 ( 15.235 30.649 -1.566) 34.262 4.984 ( 4.660 3.780 -2.526) 6.510 5.499 ( 7.219 14.285 3.732) 16.435 6.277 ( 3.088 -1.849 3.863) 5.280 6.602 ( -1.685 2.943 0.099) 3.392 6.629 ( 7.311 2.812 -3.675) 8.652 7.015 ( 6.617 3.856 -0.380) 7.668 7.682 ( -1.315 -6.831 -11.944) 13.823 8.466 ( -9.368 -21.926 11.961) 26.676 9.962 ( -21.565 -5.076 -12.409) 25.393 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 10.631 9.700 -1.601) 14.480 2.759 ( 13.487 22.522 4.079) 26.567 4.130 ( 16.954 17.991 -3.389) 24.952 5.101 ( 4.243 5.747 -1.855) 7.380 5.793 ( 7.789 14.009 3.586) 16.425 6.327 ( 3.244 -2.017 4.962) 6.262 6.608 ( -1.784 4.973 -1.916) 5.620 6.732 ( 2.472 3.512 -5.291) 6.815 7.140 ( 5.041 0.710 -3.000) 5.909 7.570 ( 0.506 -6.426 -5.714) 8.614 8.179 ( -6.247 -15.879 13.910) 22.015 9.444 ( -24.808 -6.267 -16.423) 30.405 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 8.692 5.618 -5.019) 11.502 3.171 ( 7.700 20.772 2.463) 22.290 4.518 ( 14.309 7.279 -2.879) 16.311 5.236 ( 3.919 8.725 -1.012) 9.618 6.020 ( 2.063 10.219 0.447) 10.435 6.394 ( 4.045 -0.069 3.540) 5.376 6.617 ( -2.296 5.301 -3.340) 6.673 6.754 ( -0.812 3.380 -4.290) 5.521 7.179 ( 2.558 -1.143 -4.901) 5.645 7.563 ( 5.366 -2.867 2.471) 6.567 8.034 ( -4.177 -8.507 13.355) 16.376 8.907 ( -20.448 -7.602 -16.929) 27.614 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 6.116 2.623 -5.841) 8.854 3.455 ( 1.703 18.236 2.216) 18.448 4.739 ( 8.428 0.221 -3.246) 9.034 5.403 ( 3.018 12.519 -1.026) 12.919 6.049 ( -6.389 5.456 -1.649) 8.562 6.480 ( 3.976 1.026 0.619) 4.153 6.615 ( -1.843 4.984 -3.476) 6.349 6.775 ( 0.411 3.507 -0.487) 3.565 7.210 ( 3.298 1.120 -4.340) 5.565 7.700 ( 8.489 -0.425 4.949) 9.835 7.870 ( -11.486 -5.029 7.265) 14.491 8.547 ( -5.553 -7.865 -7.852) 12.424 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 3.781 0.982 -4.882) 6.253 3.611 ( -4.285 15.613 3.094) 16.484 4.807 ( 3.484 -3.221 -4.573) 6.590 5.529 ( -4.523 13.303 -3.893) 14.580 5.990 ( -2.985 5.001 0.943) 5.900 6.527 ( -1.690 1.839 -0.115) 2.500 6.644 ( 3.496 1.518 -3.266) 5.019 6.819 ( -0.396 3.961 1.729) 4.340 7.265 ( 1.047 4.317 -6.224) 7.647 7.547 ( -12.420 -2.841 -6.741) 14.414 7.933 ( 7.374 -4.018 17.659) 19.554 8.482 ( 6.987 -4.981 0.297) 8.586 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 0.785 -0.376 -3.632) 3.735 3.635 ( -11.081 12.718 3.923) 17.318 4.775 ( 0.197 -5.207 -6.038) 7.976 5.474 ( -10.726 8.481 -3.571) 14.133 6.087 ( 3.449 9.005 2.420) 9.942 6.459 ( -4.593 -1.695 -2.910) 5.695 6.728 ( 5.104 -0.235 -0.280) 5.117 6.844 ( -3.544 5.883 3.068) 7.522 7.232 ( -6.031 4.859 -11.579) 13.930 7.388 ( -2.135 -1.710 0.512) 2.783 7.951 ( -3.902 -6.387 8.403) 11.253 8.717 ( 20.493 -1.821 9.623) 22.713 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -4.417 -2.244 -3.016) 5.800 3.496 ( -18.944 8.185 3.170) 20.879 4.679 ( -2.168 -6.154 -5.257) 8.379 5.352 ( -9.502 4.636 -1.570) 10.688 6.213 ( -2.713 7.762 2.677) 8.647 6.344 ( -3.540 -4.064 -2.939) 6.139 6.782 ( -1.934 4.454 1.402) 5.054 6.848 ( -2.153 4.324 2.356) 5.374 7.166 ( -0.461 3.307 -8.298) 8.945 7.341 ( -1.968 -2.865 -1.350) 3.729 7.831 ( -3.627 -3.816 2.224) 5.716 9.138 ( 23.809 -1.331 12.150) 26.763 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -11.369 -3.581 -2.589) 12.198 3.170 ( -25.774 2.861 1.208) 25.960 4.522 ( -8.391 -6.140 -2.694) 10.741 5.231 ( -7.995 2.415 -1.088) 8.423 6.085 ( -17.378 0.614 2.601) 17.582 6.250 ( -1.832 -3.762 -0.612) 4.229 6.768 ( -7.160 7.117 2.337) 10.362 6.860 ( -2.943 4.315 -2.450) 5.769 7.248 ( -3.338 -3.661 -3.019) 5.802 7.282 ( 13.657 3.431 -4.806) 14.879 7.814 ( 3.309 -0.683 1.372) 3.647 9.565 ( 22.337 -1.962 8.840) 24.103 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -17.850 -2.519 -1.030) 18.056 2.698 ( -29.909 0.039 0.077) 29.909 4.199 ( -22.874 -5.218 -0.895) 23.478 5.119 ( -6.624 1.390 -1.130) 6.862 5.745 ( -19.499 -1.836 2.052) 19.693 6.199 ( -0.552 -2.146 0.471) 2.265 6.696 ( -6.777 2.145 0.825) 7.156 6.808 ( -6.343 4.435 -3.506) 8.497 7.133 ( -5.672 -1.273 -1.951) 6.132 7.636 ( 21.711 4.587 -4.736) 22.690 7.923 ( 8.874 -0.177 3.697) 9.615 9.917 ( 18.961 -3.740 2.592) 19.499 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -22.139 1.910 2.513) 22.363 2.170 ( -31.208 1.162 0.895) 31.242 3.622 ( -38.763 -1.415 0.265) 38.790 5.025 ( -5.085 0.916 -0.998) 5.262 5.443 ( -14.580 -0.580 1.247) 14.644 6.202 ( 1.028 1.710 2.161) 2.941 6.601 ( -4.241 -1.339 -0.242) 4.454 6.711 ( -7.464 2.375 -2.331) 8.172 7.014 ( -7.959 1.811 0.197) 8.165 7.942 ( 11.389 2.098 -11.385) 16.239 8.212 ( 22.073 -0.490 11.070) 24.698 10.155 ( 14.935 -6.471 -4.671) 16.933 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -0.000 16.390 9.510) 18.950 1.845 ( -0.000 27.822 5.610) 28.382 3.373 ( -0.000 39.133 0.373) 39.135 4.869 ( 0.000 2.594 -3.375) 4.256 5.382 ( -0.000 15.978 3.014) 16.260 6.213 ( 0.000 3.438 -2.529) 4.268 6.422 ( -0.000 0.521 2.658) 2.709 6.628 ( -0.000 0.860 2.298) 2.454 6.895 ( 0.000 6.873 -0.776) 6.917 7.708 ( 0.000 -7.615 -13.814) 15.774 8.645 ( -0.000 -25.766 9.533) 27.473 10.393 ( 0.000 -6.065 -7.818) 9.895 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 4.367 13.942 4.846) 15.393 2.250 ( 11.804 26.344 4.999) 29.297 3.759 ( 4.222 30.869 -3.769) 31.383 4.927 ( 4.313 3.628 -2.887) 6.333 5.589 ( 2.754 17.841 4.455) 18.594 6.255 ( 1.147 2.129 1.850) 3.045 6.499 ( 6.935 1.166 -1.231) 7.139 6.647 ( 0.046 2.034 1.111) 2.318 6.978 ( 2.474 5.468 -1.537) 6.196 7.578 ( -0.389 -8.406 -10.626) 13.555 8.383 ( -3.972 -24.372 8.105) 25.990 10.179 ( -13.299 -6.666 -9.629) 17.720 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 6.459 10.331 -0.551) 12.196 2.762 ( 14.920 24.372 4.162) 28.878 4.097 ( 7.495 19.793 -4.703) 21.681 5.055 ( 6.148 5.134 -2.292) 8.331 5.850 ( 4.827 17.244 3.175) 18.186 6.301 ( 1.263 0.669 5.170) 5.364 6.620 ( 4.916 1.619 -6.070) 7.977 6.699 ( 2.452 5.029 0.093) 5.596 7.062 ( 3.160 2.075 -2.870) 4.747 7.461 ( 0.967 -9.013 -5.084) 10.393 8.130 ( -3.289 -17.528 8.553) 19.779 9.753 ( -22.687 -7.040 -12.021) 26.622 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 6.821 6.447 -4.498) 10.408 3.243 ( 11.267 22.973 2.814) 25.742 4.382 ( 9.874 9.972 -2.828) 14.315 5.219 ( 6.622 7.273 -1.432) 9.940 6.085 ( 3.487 12.732 -0.598) 13.215 6.356 ( 2.269 0.619 4.426) 5.012 6.662 ( 1.045 2.224 -5.943) 6.431 6.787 ( 0.356 6.021 -1.979) 6.348 7.087 ( 2.349 -2.989 -4.787) 6.113 7.444 ( 5.977 -3.814 2.059) 7.383 8.008 ( 0.406 -9.289 9.992) 13.649 9.200 ( -26.508 -7.515 -13.428) 30.651 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 6.116 3.423 -5.865) 9.139 3.612 ( 4.826 21.210 2.115) 21.855 4.601 ( 8.358 3.050 -1.717) 9.061 5.424 ( 7.330 10.581 -0.692) 12.890 6.192 ( -2.625 7.453 -3.288) 8.559 6.412 ( 2.982 -0.370 -0.622) 3.068 6.679 ( 0.664 3.027 -1.826) 3.597 6.825 ( -1.926 6.059 -0.536) 6.380 7.100 ( 5.541 -3.264 -3.416) 7.282 7.575 ( 8.076 1.148 4.023) 9.095 7.980 ( -2.041 -4.719 8.430) 9.875 8.650 ( -20.435 -8.032 -10.882) 24.505 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 4.931 1.781 -5.122) 7.330 3.851 ( -1.289 18.965 3.027) 19.249 4.709 ( 4.085 -1.256 -2.487) 4.945 5.656 ( 4.656 13.667 -1.879) 14.560 6.131 ( -7.777 4.119 -3.067) 9.320 6.466 ( 5.731 -1.909 -2.084) 6.390 6.701 ( -5.363 5.541 -2.812) 8.208 6.860 ( 1.362 3.845 3.704) 5.510 7.197 ( 8.362 -0.103 -2.880) 8.845 7.700 ( -2.627 0.412 -3.369) 4.293 7.856 ( -3.415 -3.207 9.844) 10.902 8.361 ( -1.331 -7.297 -1.456) 7.558 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 2.968 0.902 -3.722) 4.845 3.967 ( -7.668 16.336 4.641) 18.634 4.705 ( 0.404 -4.250 -4.222) 6.005 5.745 ( -9.739 10.807 -4.008) 15.090 6.109 ( 2.895 6.805 -0.605) 7.420 6.527 ( -1.930 -0.656 -0.985) 2.263 6.603 ( 0.892 -2.985 -3.709) 4.844 6.959 ( 0.671 7.092 4.304) 8.323 7.315 ( 3.457 3.247 -4.648) 6.640 7.476 ( -12.949 0.171 -3.706) 13.470 7.935 ( 3.314 -5.494 10.137) 11.997 8.396 ( 13.068 -5.278 3.383) 14.494 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( -0.765 0.058 -2.739) 2.845 3.920 ( -16.391 10.977 4.313) 20.193 4.632 ( -0.839 -4.737 -4.539) 6.614 5.591 ( -13.291 5.159 -2.047) 14.403 6.284 ( 4.743 9.730 -1.401) 10.914 6.387 ( -6.660 -2.122 -1.516) 7.152 6.676 ( 8.186 -4.405 -0.187) 9.298 7.030 ( -3.755 8.437 3.382) 9.834 7.284 ( -9.500 3.184 -2.689) 10.374 7.329 ( -1.165 -1.361 -4.208) 4.573 7.879 ( -4.555 -4.629 3.979) 7.616 8.713 ( 24.689 -4.692 6.416) 25.937 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( -6.430 -0.251 -2.033) 6.749 3.644 ( -24.133 3.139 1.412) 24.377 4.563 ( -2.627 -1.714 -2.023) 3.733 5.411 ( -10.868 2.164 -0.804) 11.110 6.273 ( -4.240 -1.108 -0.154) 4.385 6.345 ( -7.957 3.502 0.090) 8.694 6.803 ( 9.846 -0.372 -1.047) 9.908 6.990 ( -9.312 3.793 0.680) 10.078 7.190 ( -1.286 0.369 -2.452) 2.793 7.269 ( -3.131 1.573 -1.744) 3.914 7.793 ( -1.689 -1.588 2.065) 3.105 9.130 ( 25.873 -4.907 2.807) 26.484 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -12.438 1.301 -0.710) 12.526 3.201 ( -27.762 -0.769 0.068) 27.773 4.454 ( -10.301 1.217 -1.041) 10.424 5.256 ( -8.485 0.592 -0.509) 8.521 6.087 ( -19.214 -1.415 -0.127) 19.267 6.224 ( -2.805 0.694 2.366) 3.735 6.827 ( -8.312 -2.642 -2.618) 9.107 6.901 ( -0.709 1.283 -2.811) 3.170 7.204 ( -1.841 2.019 -1.269) 3.013 7.341 ( 12.708 3.600 2.201) 13.390 7.815 ( 4.151 -0.365 2.086) 4.660 9.499 ( 22.939 -6.202 -3.900) 24.081 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -16.925 5.052 1.424) 17.720 2.705 ( -28.710 0.332 0.909) 28.727 4.187 ( -24.197 5.206 -1.736) 24.812 5.127 ( -6.495 -0.097 -0.409) 6.508 5.735 ( -18.553 -0.220 1.228) 18.595 6.231 ( 0.048 3.766 3.246) 4.972 6.658 ( -5.805 -4.056 -2.361) 7.465 6.824 ( -5.728 -1.396 -2.158) 6.278 7.166 ( -5.535 3.995 0.541) 6.848 7.671 ( 18.098 1.606 -2.526) 18.344 7.942 ( 10.877 -1.547 6.658) 12.847 9.758 ( 18.663 -8.409 -11.386) 23.423 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -0.000 12.307 2.621) 12.583 2.426 ( -0.000 26.272 3.980) 26.571 3.994 ( 0.000 24.930 -6.292) 25.712 4.915 ( 0.000 4.419 -2.406) 5.032 5.775 ( -0.000 19.386 5.312) 20.100 6.284 ( -0.000 4.569 -0.271) 4.577 6.441 ( -0.000 -0.535 2.435) 2.493 6.661 ( -0.000 1.288 0.446) 1.363 7.015 ( 0.000 6.533 -2.295) 6.924 7.452 ( 0.000 -10.648 -7.711) 13.147 8.204 ( -0.000 -21.245 4.899) 21.803 10.185 ( 0.000 -8.501 -9.673) 12.878 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 2.477 9.414 -1.108) 9.797 2.786 ( 10.527 23.696 3.256) 26.133 4.191 ( 1.614 16.745 -6.089) 17.891 5.000 ( 4.621 5.599 -1.887) 7.501 5.986 ( 1.052 16.574 3.277) 16.927 6.326 ( -0.252 2.531 3.576) 4.389 6.507 ( 6.272 1.008 -1.974) 6.652 6.696 ( 2.532 2.348 -0.048) 3.453 7.065 ( -0.288 4.221 -3.799) 5.686 7.324 ( 1.012 -11.053 -2.224) 11.320 8.034 ( -1.178 -12.401 3.812) 13.027 9.944 ( -12.743 -9.523 -10.742) 19.196 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 3.918 6.184 -4.198) 8.439 3.247 ( 14.563 21.300 2.280) 25.903 4.352 ( 4.142 9.496 -3.175) 10.836 5.158 ( 7.107 6.665 -1.440) 9.849 6.149 ( 1.928 9.569 -0.818) 9.795 6.358 ( 0.463 0.935 4.686) 4.801 6.600 ( 4.159 0.865 -5.474) 6.929 6.797 ( 4.235 3.284 -1.801) 5.654 7.041 ( 0.222 -1.938 -4.178) 4.611 7.310 ( 4.661 -2.370 4.620) 6.978 7.961 ( -0.160 -3.225 4.748) 5.742 9.500 ( -21.940 -9.908 -11.534) 26.694 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 4.755 3.652 -5.215) 7.947 3.690 ( 11.337 19.746 1.069) 22.794 4.503 ( 6.219 3.714 -0.423) 7.257 5.369 ( 9.242 8.512 -0.643) 12.581 6.232 ( 1.956 2.427 -3.898) 4.991 6.393 ( 0.049 1.543 0.943) 1.809 6.635 ( 3.093 -1.603 -0.719) 3.557 6.855 ( 4.574 -0.425 -4.042) 6.119 7.060 ( -2.026 6.472 -1.623) 6.973 7.442 ( 9.534 -0.539 5.554) 11.047 7.979 ( 0.151 1.360 5.368) 5.539 8.942 ( -25.321 -9.654 -10.710) 29.139 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 4.986 2.268 -4.326) 6.979 4.022 ( 4.773 18.000 1.138) 18.657 4.617 ( 4.812 -0.896 -0.111) 4.896 5.641 ( 10.429 11.402 -0.473) 15.460 6.247 ( -0.640 0.230 -3.343) 3.412 6.363 ( -1.015 -1.669 -4.029) 4.477 6.746 ( 8.232 1.566 6.790) 10.786 6.942 ( 2.381 4.045 -3.144) 5.650 7.035 ( -2.733 1.465 -2.224) 3.816 7.630 ( 8.935 0.787 3.051) 9.474 7.978 ( -5.518 0.365 3.222) 6.400 8.430 ( -16.933 -7.711 -5.747) 19.473 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 4.291 1.632 -2.854) 5.405 4.226 ( -1.449 15.689 2.937) 16.027 4.637 ( 1.198 -4.826 -1.881) 5.317 5.913 ( 4.835 13.182 -1.848) 14.162 6.166 ( -5.794 1.540 -1.876) 6.281 6.379 ( 7.337 -5.101 -1.750) 9.106 6.784 ( -14.953 4.652 -2.482) 15.855 6.983 ( 5.856 4.747 6.107) 9.701 7.138 ( 13.026 -4.294 -3.063) 14.053 7.701 ( -8.068 2.723 -4.075) 9.440 7.855 ( 0.199 -3.089 6.004) 6.755 8.236 ( 0.344 -4.958 0.662) 5.014 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 2.149 1.209 -1.908) 3.118 4.273 ( -10.665 8.534 3.229) 14.036 4.579 ( 0.482 -3.990 -2.712) 4.848 5.881 ( -14.323 4.677 -1.370) 15.130 6.260 ( 7.683 8.984 -1.817) 11.960 6.465 ( 8.922 -6.214 -0.309) 10.877 6.542 ( -12.784 0.539 -0.169) 12.797 7.124 ( 2.248 5.665 1.974) 6.406 7.248 ( 3.830 -5.322 -3.337) 7.357 7.534 ( -11.102 5.293 -0.856) 12.329 7.888 ( 1.098 -3.869 3.513) 5.340 8.314 ( 14.849 -4.617 1.596) 15.632 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( -1.611 1.218 -1.528) 2.533 4.030 ( -19.062 -3.272 -0.839) 19.359 4.587 ( -0.129 3.129 0.856) 3.247 5.648 ( -14.585 1.263 0.017) 14.640 6.377 ( -7.271 1.506 1.695) 7.616 6.420 ( 1.477 1.412 -1.967) 2.836 6.590 ( 11.414 -0.911 0.079) 11.451 7.134 ( -5.505 -8.146 -4.776) 10.930 7.189 ( -1.518 5.461 -1.486) 5.860 7.425 ( -7.910 4.412 3.952) 9.882 7.838 ( -3.311 -1.637 1.817) 4.116 8.632 ( 24.827 -4.525 -1.881) 25.306 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( -6.244 2.458 -1.062) 6.794 3.607 ( -22.702 -6.009 -1.569) 23.536 4.605 ( -3.915 5.489 1.469) 6.901 5.425 ( -11.423 -0.647 0.442) 11.450 6.282 ( -6.714 -1.511 -0.882) 6.938 6.348 ( -7.052 -0.371 1.613) 7.244 6.791 ( 9.354 0.070 -2.016) 9.569 6.911 ( -7.600 -6.944 -4.831) 11.372 7.203 ( 0.127 3.772 -1.643) 4.116 7.376 ( -4.361 2.908 6.657) 8.472 7.797 ( -0.846 0.338 2.529) 2.688 8.999 ( 24.492 -5.379 -8.669) 26.532 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( -10.472 5.096 -0.330) 11.650 3.149 ( -23.765 -3.447 -0.347) 24.016 4.552 ( -11.179 8.357 -0.098) 13.957 5.245 ( -8.353 -1.604 0.164) 8.508 6.032 ( -15.328 -3.133 -1.704) 15.738 6.305 ( -2.684 4.467 3.854) 6.482 6.698 ( -5.749 -6.064 -3.671) 9.127 6.849 ( -0.932 -3.606 -3.190) 4.904 7.259 ( -0.462 3.176 -1.957) 3.759 7.439 ( 8.670 1.788 8.104) 12.002 7.837 ( 3.466 0.220 4.281) 5.513 9.283 ( 20.623 -7.369 -16.001) 27.122 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 0.000 7.301 -2.839) 7.833 2.922 ( -0.000 20.596 2.317) 20.726 4.299 ( 0.000 11.386 -5.797) 12.777 5.015 ( 0.000 6.815 -0.990) 6.887 6.132 ( -0.000 10.689 1.776) 10.835 6.381 ( -0.000 4.517 1.563) 4.779 6.443 ( -0.000 -0.497 2.521) 2.569 6.680 ( 0.000 0.764 -1.440) 1.630 7.031 ( 0.000 -10.208 -7.618) 12.737 7.270 ( -0.000 4.136 3.367) 5.333 7.976 ( -0.000 -2.678 2.349) 3.562 9.908 ( 0.000 -11.767 -11.009) 16.114 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 1.508 4.910 -4.129) 6.590 3.214 ( 10.899 16.994 1.409) 20.237 4.379 ( 1.197 6.523 -3.134) 7.335 5.122 ( 4.208 7.315 -0.678) 8.466 6.194 ( -0.229 2.611 -1.184) 2.876 6.393 ( -1.449 1.437 4.890) 5.299 6.523 ( 4.508 2.001 -1.741) 5.231 6.724 ( 4.345 0.461 -2.543) 5.056 6.900 ( 4.084 -11.972 -4.179) 13.321 7.351 ( -1.210 8.625 3.291) 9.311 8.003 ( -0.916 7.086 3.605) 8.003 9.638 ( -11.687 -13.053 -11.427) 20.917 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 2.883 3.198 -3.895) 5.806 3.618 ( 16.213 14.547 0.130) 21.783 4.456 ( 3.117 2.682 0.049) 4.112 5.294 ( 7.685 7.259 -0.341) 10.577 6.186 ( 0.745 -2.632 -3.467) 4.416 6.417 ( 0.420 1.514 4.442) 4.712 6.575 ( 1.232 -1.168 -2.000) 2.623 6.734 ( 4.058 -3.204 -4.947) 7.156 7.021 ( 12.979 0.765 0.701) 13.020 7.403 ( -1.747 4.744 3.094) 5.927 8.090 ( -2.975 12.517 4.447) 13.613 9.186 ( -19.787 -13.262 -10.970) 26.225 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 4.040 2.344 -2.382) 5.242 4.021 ( 13.724 12.969 -1.132) 18.916 4.532 ( 3.819 -1.067 1.831) 4.367 5.538 ( 11.989 7.901 0.396) 14.364 6.161 ( 2.390 -4.439 -3.417) 6.090 6.428 ( -3.748 2.099 -1.745) 4.637 6.593 ( 7.093 -4.506 4.537) 9.550 6.820 ( 7.200 1.018 -1.711) 7.470 7.212 ( 0.081 8.151 -3.175) 8.748 7.453 ( 7.644 -2.748 4.721) 9.395 8.147 ( -7.165 11.643 3.193) 14.038 8.655 ( -21.120 -12.006 -8.498) 25.737 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 4.438 1.913 -0.759) 4.892 4.323 ( 7.544 11.373 -0.666) 13.664 4.555 ( 1.348 -5.561 1.094) 5.826 5.854 ( 13.812 8.558 0.356) 16.252 6.163 ( 3.820 -4.602 -1.408) 6.144 6.341 ( -6.354 1.364 -1.072) 6.587 6.766 ( 15.469 -4.259 1.888) 16.156 6.958 ( 6.546 2.233 1.467) 7.070 7.127 ( -14.728 5.259 -1.617) 15.722 7.633 ( 11.417 -1.731 0.800) 11.575 8.032 ( -16.225 2.938 -0.710) 16.504 8.274 ( -8.375 -4.179 -1.635) 9.501 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 3.645 1.567 0.002) 3.967 4.452 ( -5.574 -6.255 -0.251) 8.382 4.520 ( 4.574 5.523 0.239) 7.176 6.122 ( -7.700 3.123 0.484) 8.323 6.148 ( 12.143 -1.136 -0.581) 12.210 6.299 ( 2.833 1.437 0.409) 3.203 6.849 ( -18.819 2.260 1.237) 18.994 6.981 ( 13.170 -7.462 -6.081) 16.313 7.125 ( 8.276 4.778 5.394) 10.974 7.734 ( -4.638 2.609 -3.708) 6.486 7.821 ( -1.659 -3.428 2.990) 4.842 8.178 ( -0.797 -0.668 -0.135) 1.049 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 1.599 1.487 -0.160) 2.189 4.204 ( -11.035 -12.053 -2.471) 16.527 4.637 ( 1.217 6.612 2.118) 7.048 5.915 ( -14.618 -1.456 1.533) 14.770 6.274 ( 7.645 -7.988 -1.108) 11.112 6.452 ( 6.634 6.128 -1.113) 9.099 6.607 ( -11.958 3.960 6.065) 13.981 7.021 ( 4.087 -8.562 -6.495) 11.498 7.291 ( 0.648 6.231 -0.171) 6.267 7.591 ( -8.168 -1.336 4.092) 9.233 7.834 ( 2.318 -2.705 -1.430) 3.838 8.266 ( 11.697 1.086 -2.342) 11.979 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( -1.326 2.136 -0.698) 2.609 3.838 ( -15.467 -11.966 -2.498) 19.714 4.714 ( -0.732 6.441 2.437) 6.926 5.641 ( -14.546 -2.832 2.211) 14.983 6.259 ( 2.004 -10.755 -3.317) 11.432 6.466 ( -5.291 3.102 3.604) 7.114 6.674 ( 5.630 4.949 1.330) 7.613 6.913 ( -3.372 -8.221 -6.062) 10.756 7.288 ( -4.818 5.631 -1.863) 7.642 7.489 ( -4.528 -2.635 8.747) 10.196 7.827 ( -0.200 -0.526 -1.126) 1.259 8.540 ( 19.538 0.057 -8.388) 21.262 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( -4.509 3.618 -1.280) 5.921 3.443 ( -17.245 -7.955 -1.210) 19.030 4.759 ( -3.408 8.130 1.525) 8.946 5.391 ( -11.339 -3.639 1.724) 12.033 6.122 ( -3.681 -9.208 -4.573) 10.920 6.428 ( -4.398 2.912 3.686) 6.435 6.710 ( -3.938 -4.846 -4.336) 7.602 6.802 ( 0.782 -1.173 -1.795) 2.283 7.283 ( -1.049 4.025 -1.238) 4.340 7.443 ( -1.535 -1.113 11.354) 11.512 7.827 ( 0.633 0.368 1.092) 1.315 8.822 ( 18.716 -2.693 -15.251) 24.293 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 0.000 3.424 -3.520) 4.910 3.262 ( -0.000 12.175 0.659) 12.193 4.408 ( 0.000 3.238 -1.670) 3.643 5.159 ( -0.000 7.375 -0.260) 7.380 6.190 ( 0.000 -2.468 -2.171) 3.287 6.471 ( -0.000 -0.272 5.442) 5.449 6.479 ( -0.000 3.629 2.537) 4.428 6.667 ( 0.000 -0.510 -2.612) 2.662 6.723 ( 0.000 -10.122 -6.359) 11.953 7.455 ( -0.000 6.995 0.937) 7.057 8.152 ( -0.000 16.624 5.140) 17.400 9.554 ( 0.000 -15.257 -11.773) 19.272 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 1.282 2.521 -1.805) 3.355 3.473 ( 12.133 8.490 -0.248) 14.811 4.438 ( 1.392 1.053 0.620) 1.852 5.258 ( 3.909 5.900 -0.288) 7.084 6.142 ( -0.573 -3.372 -2.869) 4.464 6.448 ( -1.632 -1.101 6.426) 6.721 6.551 ( 1.520 1.282 -0.394) 2.027 6.633 ( 1.551 -2.726 -4.833) 5.762 6.777 ( 12.387 -1.352 0.517) 12.471 7.494 ( -1.761 3.932 -0.262) 4.316 8.334 ( -3.134 19.490 5.481) 20.487 9.262 ( -10.424 -15.503 -11.542) 21.959 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 2.622 2.146 0.459) 3.419 3.816 ( 18.544 5.605 -1.554) 19.435 4.481 ( 2.294 -0.501 2.402) 3.359 5.413 ( 8.735 3.635 0.179) 9.463 6.098 ( -0.044 -1.789 -2.486) 3.063 6.455 ( 2.332 -1.924 3.709) 4.785 6.529 ( -2.817 0.021 -1.113) 3.029 6.708 ( 6.830 1.228 1.238) 7.049 7.033 ( 16.833 0.031 -0.270) 16.836 7.474 ( -3.608 1.353 -0.149) 3.856 8.443 ( -6.967 15.163 3.991) 17.158 8.831 ( -17.965 -12.152 -9.756) 23.782 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 3.634 1.766 2.204) 4.602 4.161 ( 16.791 1.202 -2.136) 16.969 4.510 ( 1.023 -1.590 2.294) 2.973 5.635 ( 14.310 -0.379 0.772) 14.336 6.103 ( 1.513 2.167 -0.601) 2.711 6.468 ( -5.369 1.881 1.493) 5.882 6.522 ( 7.720 -3.209 -0.450) 8.372 6.861 ( 7.783 1.402 4.257) 8.982 7.312 ( 8.365 4.509 -4.291) 10.427 7.399 ( 0.744 -5.350 2.591) 5.991 8.343 ( -12.397 -13.272 -6.301) 19.223 8.449 ( -17.625 15.532 2.060) 23.582 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 3.871 1.280 2.728) 4.905 4.328 ( 6.036 -11.633 -0.178) 13.107 4.539 ( 2.673 4.888 -0.308) 5.580 5.854 ( 14.160 -8.347 0.325) 16.440 6.199 ( 3.125 7.469 1.768) 8.287 6.391 ( -6.621 2.539 3.122) 7.748 6.653 ( 12.455 -3.864 -6.168) 14.426 7.032 ( 8.403 1.360 6.115) 10.481 7.155 ( -14.392 -2.748 1.061) 14.690 7.594 ( 12.827 -1.184 -2.633) 13.148 8.006 ( -12.364 -3.908 -2.732) 13.252 8.313 ( -13.149 7.893 1.511) 15.410 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( 3.135 1.037 2.098) 3.912 4.182 ( -4.082 -16.366 -0.655) 16.880 4.661 ( 3.841 5.132 0.087) 6.410 5.936 ( 7.083 -12.690 -0.012) 14.533 6.222 ( -7.779 0.970 2.946) 8.374 6.419 ( 4.108 6.226 1.811) 7.676 6.787 ( 9.607 -5.311 -8.679) 13.994 6.884 ( -13.153 -1.342 4.678) 14.025 7.229 ( 9.981 1.533 4.570) 11.085 7.710 ( 3.145 -1.938 -6.166) 7.188 7.793 ( -10.057 -0.695 2.814) 10.466 8.231 ( -3.033 6.424 0.545) 7.124 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 1.540 1.326 0.833) 2.196 3.899 ( -8.812 -15.931 -1.138) 18.241 4.764 ( 2.363 4.765 0.933) 5.400 5.817 ( -7.387 -10.266 1.506) 12.736 6.109 ( -1.546 -6.657 -0.242) 6.838 6.532 ( 1.724 2.319 -0.123) 2.893 6.725 ( -4.569 0.254 6.312) 7.796 6.829 ( 2.150 -3.848 -6.357) 7.735 7.380 ( 2.886 0.929 1.141) 3.239 7.582 ( -8.570 -1.172 3.552) 9.351 7.753 ( 3.288 -1.877 -4.581) 5.943 8.338 ( 6.219 7.192 -1.147) 9.577 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( -0.577 2.037 -0.686) 2.225 3.582 ( -10.780 -11.709 -0.625) 15.928 4.851 ( 1.245 6.186 0.713) 6.350 5.556 ( -11.677 -7.964 2.280) 14.317 6.012 ( 0.346 -9.857 -3.260) 10.388 6.514 ( -3.231 -1.536 1.508) 3.882 6.710 ( -0.870 -0.996 -2.103) 2.484 6.795 ( -0.577 -0.359 -0.402) 0.789 7.359 ( -3.880 1.112 -2.685) 4.848 7.511 ( -2.021 -1.665 13.059) 13.319 7.786 ( 3.023 0.271 -6.241) 6.940 8.533 ( 9.968 4.406 -5.779) 12.336 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -0.000 2.120 0.924) 2.312 3.419 ( 0.000 3.807 -0.583) 3.851 4.436 ( -0.000 0.256 1.988) 2.004 5.270 ( 0.000 3.361 -0.709) 3.435 6.114 ( 0.000 -1.519 -2.497) 2.923 6.477 ( -0.000 -4.114 6.378) 7.590 6.546 ( -0.000 0.586 0.850) 1.033 6.604 ( 0.000 1.344 -1.605) 2.093 6.640 ( 0.000 0.339 -0.891) 0.953 7.534 ( 0.000 1.956 -1.448) 2.433 8.566 ( -0.000 14.749 4.204) 15.337 9.170 ( 0.000 -10.858 -10.516) 15.116 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 1.198 1.769 3.518) 4.116 3.551 ( 12.874 0.008 -1.335) 12.943 4.459 ( 1.139 0.147 3.381) 3.571 5.320 ( 4.119 0.091 -0.679) 4.175 6.097 ( -0.613 1.319 -1.870) 2.369 6.426 ( -1.348 -3.174 2.251) 4.118 6.570 ( 1.041 0.614 1.156) 1.673 6.644 ( 2.395 2.902 3.671) 5.257 6.767 ( 12.062 -0.010 0.106) 12.063 7.525 ( -1.731 0.189 -1.705) 2.437 8.581 ( -3.567 -8.306 -3.111) 9.560 9.039 ( -10.319 10.279 -3.452) 14.969 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 2.374 0.941 5.031) 5.642 3.810 ( 18.973 -4.980 -2.088) 19.726 4.492 ( 1.056 -0.326 3.394) 3.569 5.414 ( 8.834 -3.483 0.203) 9.498 6.121 ( 0.804 4.793 -0.395) 4.876 6.404 ( 1.793 -2.968 -0.435) 3.495 6.584 ( -2.502 3.130 3.813) 5.531 6.766 ( 6.271 1.803 5.814) 8.739 7.019 ( 17.129 -0.704 -1.502) 17.209 7.458 ( -4.329 -2.437 -1.580) 5.213 8.322 ( -6.433 -17.118 -6.925) 19.554 8.954 ( -17.794 18.691 1.404) 25.845 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 3.415 -0.088 5.133) 6.166 4.022 ( 14.570 -13.047 -1.191) 19.594 4.522 ( 2.129 0.800 1.109) 2.530 5.544 ( 11.747 -7.563 0.802) 13.994 6.223 ( 3.421 7.004 1.984) 8.044 6.418 ( 4.009 -3.782 -2.545) 6.071 6.579 ( -4.020 5.039 3.826) 7.496 6.921 ( 7.531 0.491 6.455) 9.931 7.264 ( 3.079 -8.838 1.318) 9.452 7.343 ( 5.651 1.378 -4.867) 7.585 8.049 ( -5.029 -10.798 -5.309) 13.041 8.783 ( -22.430 15.747 2.726) 27.541 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 3.936 -0.583 4.111) 5.721 4.011 ( 3.769 -19.182 0.360) 19.552 4.610 ( 5.665 2.210 -0.846) 6.139 5.647 ( 10.290 -11.300 0.105) 15.283 6.334 ( -0.385 1.247 4.190) 4.388 6.428 ( 2.032 -2.054 0.269) 2.902 6.613 ( 2.314 6.121 -3.587) 7.462 7.027 ( -4.081 -9.105 4.472) 10.934 7.109 ( 3.312 0.627 4.383) 5.530 7.538 ( 10.401 -1.896 -5.197) 11.781 7.901 ( -2.880 -3.410 -3.495) 5.669 8.554 ( -20.362 13.178 4.976) 24.760 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 3.515 -0.241 2.514) 4.329 3.821 ( -2.475 -19.251 0.573) 19.418 4.731 ( 5.701 2.508 -0.658) 6.263 5.661 ( 5.778 -13.777 -1.347) 15.000 6.216 ( -9.896 -4.362 4.208) 11.605 6.489 ( 4.465 -0.724 -0.644) 4.569 6.704 ( 2.788 2.381 -3.571) 5.118 6.851 ( -5.430 -5.415 4.794) 9.044 7.261 ( 8.146 -0.296 2.872) 8.643 7.588 ( 2.415 -4.076 -9.188) 10.338 7.814 ( -5.326 0.591 1.346) 5.525 8.454 ( -8.157 12.996 6.976) 16.855 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -0.000 0.875 5.914) 5.979 3.409 ( 0.000 -4.102 -1.463) 4.355 4.470 ( -0.000 0.694 4.895) 4.944 5.266 ( 0.000 -2.975 -1.078) 3.164 6.121 ( 0.000 3.499 -1.755) 3.915 6.444 ( -0.000 -2.029 3.524) 4.067 6.506 ( 0.000 -2.718 -2.248) 3.527 6.680 ( -0.000 1.807 2.236) 2.875 6.697 ( -0.000 5.304 6.433) 8.338 7.526 ( 0.000 -1.583 -2.200) 2.711 8.438 ( 0.000 -19.419 -7.378) 20.773 9.287 ( -0.000 19.720 0.131) 19.721 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 1.048 -0.964 6.839) 6.985 3.453 ( 12.242 -8.771 -1.982) 15.189 4.496 ( 0.085 -0.189 5.546) 5.550 5.259 ( 4.331 -5.127 -0.310) 6.719 6.156 ( 0.326 4.547 -1.305) 4.742 6.383 ( -2.129 -2.118 0.128) 3.005 6.580 ( 6.554 -0.927 2.489) 7.072 6.756 ( 4.487 1.372 2.689) 5.408 6.799 ( 4.212 5.428 5.413) 8.747 7.471 ( -2.068 -4.720 -2.324) 5.653 8.191 ( -2.532 -18.089 -7.306) 19.672 9.399 ( -10.330 19.637 0.756) 22.202 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 2.595 -3.057 6.235) 7.413 3.592 ( 16.845 -15.004 -2.111) 22.657 4.504 ( 0.309 -1.931 4.097) 4.539 5.311 ( 7.897 -6.323 1.035) 10.169 6.221 ( 3.097 2.786 0.024) 4.166 6.344 ( 0.275 -2.288 -1.432) 2.713 6.677 ( 1.892 1.958 5.868) 6.469 6.856 ( 4.025 1.505 4.846) 6.476 7.003 ( 12.449 1.900 -0.070) 12.593 7.342 ( -3.909 -7.522 -2.148) 8.745 7.979 ( -2.311 -10.161 -5.442) 11.756 9.327 ( -19.294 16.974 1.534) 25.743 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 4.515 -4.104 4.714) 7.710 3.667 ( 12.283 -20.894 -0.905) 24.254 4.524 ( 3.958 -2.117 1.404) 4.703 5.390 ( 8.373 -8.071 1.081) 11.679 6.288 ( 4.120 -4.224 0.053) 5.900 6.341 ( 2.766 -2.070 -1.004) 3.598 6.730 ( -2.317 5.957 5.397) 8.365 6.941 ( 3.625 -4.967 3.578) 7.114 7.115 ( -0.534 -3.182 3.544) 4.793 7.321 ( 9.758 0.764 -5.049) 11.014 7.870 ( -0.846 -3.178 -4.485) 5.562 9.112 ( -23.779 14.676 4.453) 28.296 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 5.787 -3.567 2.944) 7.408 3.595 ( 5.209 -22.367 0.606) 22.973 4.616 ( 7.976 -1.129 -0.470) 8.069 5.429 ( 6.148 -10.229 -0.200) 11.937 6.261 ( -0.552 -9.108 2.604) 9.489 6.374 ( 4.976 -2.988 -2.883) 6.480 6.759 ( -3.091 4.983 3.703) 6.935 6.864 ( -2.760 -8.295 3.566) 9.442 7.176 ( 4.240 3.207 3.086) 6.147 7.450 ( 6.003 -1.667 -6.748) 9.184 7.837 ( 0.044 0.071 -4.598) 4.599 8.893 ( -19.930 14.792 10.475) 26.939 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -0.000 -4.051 7.272) 8.324 3.229 ( 0.000 -12.764 -2.089) 12.934 4.515 ( -0.000 -1.678 7.317) 7.507 5.161 ( 0.000 -6.232 -0.060) 6.232 6.181 ( 0.000 1.833 -2.595) 3.177 6.430 ( 0.000 -3.094 -1.897) 3.629 6.444 ( -0.000 -0.825 3.115) 3.222 6.714 ( -0.000 -0.097 1.667) 1.669 6.902 ( -0.000 9.874 8.553) 13.063 7.415 ( 0.000 -8.475 -2.433) 8.818 8.028 ( 0.000 -12.469 -5.908) 13.798 9.684 ( -0.000 18.618 -0.211) 18.620 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 1.376 -7.403 6.163) 9.730 3.172 ( 10.984 -17.694 -2.187) 20.941 4.498 ( -1.028 -5.376 6.786) 8.718 5.144 ( 4.820 -5.985 1.222) 7.781 6.168 ( 1.642 -4.845 -2.848) 5.855 6.337 ( -2.624 -2.368 -0.896) 3.646 6.574 ( 9.800 -1.498 2.854) 10.316 6.749 ( 4.309 -1.920 0.591) 4.755 7.042 ( -0.281 12.984 7.022) 14.764 7.296 ( -1.680 -9.553 -1.182) 9.771 7.919 ( -1.244 -3.662 -3.965) 5.539 9.762 ( -10.910 16.396 -0.476) 19.700 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 4.283 -9.332 4.028) 11.030 3.201 ( 15.054 -22.284 -1.760) 26.950 4.441 ( 1.164 -8.510 4.358) 9.632 5.198 ( 6.753 -5.960 1.852) 9.195 6.132 ( 5.050 -12.169 -1.730) 13.288 6.279 ( -0.253 -3.027 -2.627) 4.016 6.739 ( 7.176 -0.073 6.186) 9.474 6.809 ( 6.083 -5.423 -0.090) 8.150 7.157 ( -1.798 1.388 5.454) 5.908 7.238 ( 1.596 8.119 -1.303) 8.376 7.871 ( -2.118 2.034 -3.498) 4.567 9.647 ( -19.321 14.096 1.552) 23.967 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 7.774 -8.825 1.875) 11.909 3.204 ( 12.459 -24.391 -0.672) 27.397 4.437 ( 7.584 -8.492 1.944) 11.550 5.247 ( 5.391 -6.964 0.990) 8.862 6.087 ( 6.438 -16.181 -0.098) 17.415 6.259 ( 2.688 -2.121 -3.818) 5.128 6.788 ( 0.258 -7.499 4.457) 8.727 6.860 ( 1.982 -0.781 4.258) 4.761 7.180 ( 2.585 1.450 3.108) 4.295 7.375 ( 1.275 10.950 -3.609) 11.599 7.851 ( -2.281 4.016 -4.414) 6.388 9.435 ( -21.338 13.386 7.582) 26.305 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -0.000 -11.889 5.419) 13.066 2.871 ( 0.000 -21.423 -2.106) 21.526 4.456 ( -0.000 -11.438 7.279) 13.558 5.047 ( -0.000 -5.375 1.769) 5.658 6.040 ( 0.000 -13.833 -6.019) 15.086 6.360 ( 0.000 -2.971 -0.334) 2.990 6.449 ( -0.000 -0.888 2.758) 2.897 6.697 ( 0.000 -2.168 0.158) 2.174 7.196 ( -0.000 -0.449 5.879) 5.897 7.244 ( -0.000 8.623 2.130) 8.882 7.921 ( 0.000 3.797 -2.708) 4.664 10.010 ( 0.000 14.927 -2.147) 15.080 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 2.484 -14.930 3.343) 15.500 2.730 ( 10.611 -24.692 -1.571) 26.921 4.321 ( 0.060 -18.387 4.802) 19.003 5.051 ( 4.685 -4.707 2.437) 7.075 5.882 ( 3.424 -18.040 -5.495) 19.166 6.278 ( -3.419 -2.612 -0.673) 4.355 6.568 ( 10.447 -1.348 2.919) 10.931 6.699 ( 2.948 -3.269 0.469) 4.427 7.138 ( -0.186 -6.661 3.444) 7.501 7.419 ( -1.385 18.412 5.689) 19.320 7.957 ( -2.477 9.085 -3.333) 9.989 10.046 ( -10.711 13.020 -1.861) 16.962 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 7.675 -15.030 0.524) 16.885 2.704 ( 15.138 -25.973 -1.033) 30.080 4.180 ( 6.661 -21.337 2.494) 22.491 5.102 ( 5.184 -4.958 1.791) 7.394 5.775 ( 7.036 -18.278 -3.167) 19.839 6.215 ( -0.502 -1.228 -2.382) 2.726 6.700 ( 3.409 -5.407 0.139) 6.393 6.758 ( 8.056 -2.513 5.342) 9.988 7.112 ( 2.937 -4.354 1.948) 5.602 7.579 ( -3.668 17.745 5.421) 18.914 7.975 ( -5.502 10.996 -5.585) 13.505 9.917 ( -17.173 11.667 2.526) 20.914 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -0.000 -19.176 2.957) 19.403 2.365 ( 0.000 -27.465 -1.223) 27.492 4.088 ( 0.000 -30.028 1.735) 30.078 4.977 ( -0.000 -3.548 2.935) 4.604 5.653 ( 0.000 -17.254 -5.217) 18.026 6.313 ( -0.000 -2.438 2.285) 3.342 6.444 ( -0.000 -1.637 2.544) 3.025 6.638 ( 0.000 -2.915 -1.637) 3.343 7.080 ( -0.000 -7.741 3.524) 8.505 7.641 ( -0.000 17.391 9.341) 19.741 8.092 ( 0.000 15.542 -5.531) 16.497 10.251 ( 0.000 11.736 -4.054) 12.416 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 4.279 -20.892 0.427) 21.330 2.191 ( 11.711 -28.070 -0.286) 30.417 3.787 ( 5.487 -36.349 -1.009) 36.775 4.990 ( 3.571 -3.391 2.562) 5.551 5.504 ( 3.256 -15.130 -2.967) 15.758 6.234 ( -3.890 -1.552 0.527) 4.221 6.556 ( 9.185 -1.886 2.630) 9.738 6.632 ( 3.485 -3.566 0.132) 4.988 7.021 ( 1.444 -7.732 2.402) 8.225 7.823 ( -1.851 14.322 11.587) 18.515 8.200 ( -5.158 19.095 -8.711) 21.612 10.260 ( -9.497 10.314 -2.589) 14.257 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 0.000 -24.482 1.263) 24.514 1.783 ( 0.000 -30.108 0.290) 30.110 3.302 ( 0.000 -45.944 -4.849) 46.199 4.940 ( -0.000 -2.530 2.781) 3.760 5.332 ( 0.000 -12.798 -1.628) 12.901 6.296 ( -0.000 -2.008 4.790) 5.194 6.425 ( -0.000 -2.140 3.119) 3.783 6.570 ( 0.000 -1.882 -2.878) 3.439 6.930 ( -0.000 -9.338 2.271) 9.610 8.008 ( -0.000 10.626 12.498) 16.405 8.429 ( 0.000 22.812 -9.300) 24.635 10.424 ( 0.000 9.252 -5.380) 10.702 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -0.000 -0.000 25.029) 25.029 0.584 ( -0.000 -0.000 25.029) 25.029 1.032 ( -0.000 -0.000 45.241) 45.241 4.840 ( 0.000 0.000 -2.817) 2.817 4.840 ( 0.000 0.000 -2.817) 2.817 6.212 ( 0.000 0.000 -3.249) 3.249 6.212 ( 0.000 0.000 -3.249) 3.249 6.596 ( -0.000 -0.000 4.613) 4.613 6.596 ( -0.000 -0.000 4.613) 4.613 8.150 ( 0.000 0.000 -17.680) 17.680 9.294 ( -0.000 -0.000 11.415) 11.415 10.742 ( 0.000 0.000 -0.348) 0.348 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 17.791 10.272 19.036) 28.007 0.964 ( 18.221 10.520 18.451) 27.984 1.535 ( 28.165 16.261 27.561) 42.630 4.852 ( 1.582 0.913 -2.934) 3.456 4.893 ( 5.787 3.341 -2.414) 7.105 6.249 ( 2.582 1.491 -2.655) 3.992 6.336 ( 9.516 5.494 -5.719) 12.387 6.613 ( -0.490 -0.283 5.080) 5.112 6.666 ( 4.662 2.692 4.275) 6.874 8.054 ( -2.421 -1.398 -18.197) 18.410 9.298 ( -5.700 -3.291 10.524) 12.413 10.567 ( -12.207 -7.047 -1.418) 14.166 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 17.824 10.291 12.688) 24.178 1.485 ( 21.439 12.378 12.289) 27.638 2.383 ( 37.100 21.419 10.550) 44.119 4.892 ( 2.751 1.588 -2.855) 4.271 5.081 ( 10.576 6.106 0.284) 12.215 6.309 ( 3.510 2.027 -2.601) 4.816 6.518 ( 6.626 3.825 -0.850) 7.698 6.605 ( -1.865 -1.077 4.801) 5.261 6.824 ( 7.771 4.487 2.858) 9.417 7.916 ( -3.697 -2.135 -17.155) 17.678 9.092 ( -15.220 -8.787 12.784) 21.732 10.226 ( -15.503 -8.950 -9.456) 20.245 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 17.257 9.963 4.578) 20.446 2.017 ( 21.253 12.270 7.718) 25.726 3.254 ( 35.692 20.607 2.137) 41.268 4.955 ( 3.476 2.007 -2.514) 4.736 5.361 ( 12.592 7.270 4.137) 15.117 6.390 ( 4.402 2.542 -2.862) 5.834 6.564 ( -3.002 -1.733 4.049) 5.330 6.615 ( 1.631 0.942 1.576) 2.456 7.027 ( 8.363 4.828 0.819) 9.691 7.772 ( -3.461 -1.998 -14.308) 14.856 8.737 ( -18.885 -10.903 15.016) 26.476 9.788 ( -18.083 -10.440 -17.429) 27.198 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 14.785 8.536 -1.865) 17.174 2.502 ( 18.585 10.730 4.332) 21.893 4.007 ( 29.217 16.868 -2.152) 33.805 5.027 ( 3.403 1.964 -1.964) 4.392 5.665 ( 11.452 6.612 6.504) 14.737 6.489 ( 4.999 2.886 -3.233) 6.616 6.505 ( -2.960 -1.709 3.571) 4.943 6.614 ( -1.739 -1.004 0.081) 2.010 7.171 ( 3.810 2.200 -2.499) 5.059 7.669 ( -1.335 -0.771 -8.793) 8.927 8.389 ( -15.754 -9.095 18.041) 25.620 9.289 ( -17.972 -10.376 -22.668) 30.732 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 10.605 6.123 -5.581) 13.457 2.893 ( 14.164 8.178 2.416) 16.533 4.564 ( 19.962 11.525 -4.230) 23.435 5.091 ( 2.519 1.454 -1.188) 3.142 5.890 ( 4.947 2.856 5.068) 7.636 6.458 ( -1.971 -1.138 2.856) 3.652 6.560 ( -1.344 -0.776 -2.886) 3.277 6.597 ( 5.101 2.945 -2.756) 6.503 7.194 ( 0.405 0.234 -5.153) 5.174 7.670 ( 3.307 1.910 -0.391) 3.839 8.128 ( -13.618 -7.862 15.099) 21.800 8.855 ( -11.605 -6.700 -19.188) 23.404 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 6.382 3.685 -6.543) 9.855 3.166 ( 8.794 5.077 1.843) 10.321 4.890 ( 10.218 5.899 -7.606) 14.038 5.135 ( 1.529 0.883 0.129) 1.770 5.911 ( -2.870 -1.657 2.836) 4.362 6.435 ( -0.946 -0.546 2.592) 2.813 6.576 ( 3.644 2.104 -3.725) 5.620 6.696 ( 4.086 2.359 -2.516) 5.347 7.190 ( 1.059 0.612 -5.094) 5.239 7.742 ( -5.072 -2.928 -9.020) 10.754 7.912 ( -1.323 -0.764 20.929) 20.985 8.640 ( -3.663 -2.115 -7.154) 8.311 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 3.373 1.947 -5.711) 6.913 3.308 ( 2.891 1.669 1.879) 3.831 4.982 ( 1.531 0.884 -12.721) 12.844 5.164 ( 0.757 0.437 1.686) 1.899 5.880 ( 0.367 0.212 4.740) 4.759 6.426 ( -0.754 -0.435 2.166) 2.335 6.664 ( 4.180 2.413 -2.266) 5.332 6.759 ( 2.068 1.194 -2.231) 3.268 7.186 ( -0.120 -0.070 -8.796) 8.797 7.487 ( -8.054 -4.650 -7.144) 11.727 8.081 ( 0.926 0.535 21.982) 22.008 8.634 ( 6.154 3.553 0.195) 7.109 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( 0.425 0.245 -4.604) 4.630 3.310 ( -3.416 -1.972 1.949) 4.399 4.915 ( -2.277 -1.315 -12.908) 13.173 5.176 ( -0.531 -0.307 2.060) 2.149 5.963 ( 4.184 2.416 5.788) 7.540 6.412 ( -1.084 -0.626 1.445) 1.912 6.707 ( -0.844 -0.487 -2.623) 2.798 6.774 ( -0.136 -0.078 -1.484) 1.492 7.121 ( 0.163 0.094 -13.311) 13.312 7.385 ( -1.303 -0.752 1.541) 2.154 8.025 ( -8.642 -4.989 9.848) 14.020 8.941 ( 16.114 9.303 12.603) 22.473 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( -4.801 -2.772 -4.366) 7.057 3.159 ( -10.380 -5.993 1.610) 12.093 4.799 ( -4.791 -2.766 -8.678) 10.291 5.149 ( -2.232 -1.289 0.586) 2.643 6.047 ( -0.769 -0.444 5.725) 5.794 6.389 ( -1.093 -0.631 0.461) 1.344 6.615 ( -4.358 -2.516 -4.276) 6.604 6.746 ( -1.943 -1.122 -0.213) 2.254 7.155 ( 6.377 3.682 -8.947) 11.588 7.364 ( -2.065 -1.192 1.110) 2.630 7.870 ( -4.750 -2.743 2.442) 6.004 9.385 ( 16.814 9.708 16.802) 25.676 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -11.771 -6.796 -4.765) 14.403 2.840 ( -17.674 -10.204 0.558) 20.416 4.582 ( -13.577 -7.838 -3.798) 16.131 5.084 ( -3.066 -1.770 -1.397) 3.806 5.903 ( -12.663 -7.311 5.586) 15.653 6.367 ( -0.746 -0.431 -0.967) 1.295 6.532 ( -1.729 -0.998 -3.913) 4.393 6.687 ( -3.173 -1.832 1.060) 3.814 7.275 ( -5.121 -2.957 -2.838) 6.559 7.370 ( 15.109 8.723 -7.562) 19.015 7.866 ( 3.415 1.972 1.823) 4.344 9.812 ( 14.810 8.551 15.505) 23.084 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -17.769 -10.259 -4.335) 20.971 2.361 ( -23.451 -13.539 -0.564) 27.084 4.093 ( -28.637 -16.533 0.701) 33.074 5.007 ( -2.819 -1.628 -2.520) 4.117 5.603 ( -13.432 -7.755 3.749) 15.957 6.342 ( -0.963 -0.556 -3.076) 3.271 6.481 ( -1.687 -0.974 -4.063) 4.506 6.617 ( -3.132 -1.808 2.178) 4.222 7.119 ( -7.164 -4.136 -3.615) 9.028 7.748 ( 17.924 10.349 -10.234) 23.089 8.028 ( 10.380 5.993 6.019) 13.412 10.167 ( 11.656 6.729 11.131) 17.466 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -0.000 15.059 17.558) 23.131 1.049 ( -0.000 15.968 24.647) 29.368 1.691 ( -0.000 33.385 25.877) 42.240 4.819 ( 0.000 0.631 -3.560) 3.615 4.899 ( 0.000 7.446 -2.513) 7.859 6.162 ( 0.000 -0.447 -3.720) 3.747 6.310 ( 0.000 6.176 -2.610) 6.705 6.618 ( -0.000 -0.667 4.361) 4.412 6.678 ( -0.000 3.186 5.288) 6.174 7.984 ( 0.000 -2.947 -18.805) 19.035 9.339 ( -0.000 -6.572 10.765) 12.613 10.630 ( 0.000 -6.761 -2.575) 7.235 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 16.160 16.540 12.564) 26.317 1.376 ( 10.516 14.173 20.096) 26.745 2.258 ( 15.473 36.214 12.876) 41.433 4.844 ( 2.950 1.237 -3.454) 4.708 5.022 ( 5.039 10.136 -0.739) 11.343 6.225 ( 6.171 -0.355 -2.622) 6.715 6.415 ( 6.779 4.391 -2.089) 8.343 6.625 ( -0.580 -1.501 4.708) 4.976 6.769 ( 4.586 4.117 3.648) 7.162 7.867 ( -1.609 -3.800 -17.937) 18.405 9.218 ( -7.290 -13.728 11.830) 19.533 10.412 ( -14.596 -5.453 -6.676) 16.951 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 12.132 12.603 9.468) 19.892 1.862 ( 18.391 17.375 10.127) 27.252 2.983 ( 24.712 30.931 3.198) 39.719 4.910 ( 3.619 2.655 -3.159) 5.489 5.264 ( 9.915 10.757 2.874) 14.909 6.311 ( 4.878 0.024 -0.897) 4.960 6.570 ( 6.669 2.123 -2.189) 7.333 6.599 ( -2.264 -1.736 4.542) 5.363 6.933 ( 7.773 4.447 1.313) 9.051 7.734 ( -1.924 -3.775 -15.512) 16.080 8.923 ( -12.848 -17.716 13.383) 25.652 10.006 ( -21.475 -5.283 -12.820) 25.562 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 12.510 10.194 1.391) 16.197 2.370 ( 16.044 18.025 5.972) 24.859 3.703 ( 26.327 22.611 -1.697) 34.746 4.994 ( 3.414 4.046 -2.689) 5.937 5.574 ( 11.204 10.069 5.744) 16.122 6.390 ( 4.966 -1.211 0.368) 5.125 6.551 ( -2.980 -0.320 2.570) 3.948 6.653 ( 1.172 2.404 -2.563) 3.704 7.099 ( 6.283 2.468 -1.715) 6.965 7.627 ( -0.419 -2.892 -11.203) 11.578 8.574 ( -12.482 -16.455 16.305) 26.314 9.493 ( -23.945 -6.143 -18.476) 30.862 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 10.940 7.351 -4.402) 13.896 2.805 ( 11.986 16.717 3.432) 20.854 4.297 ( 22.101 13.458 -3.737) 26.144 5.085 ( 2.506 5.569 -1.984) 6.421 5.855 ( 7.472 7.484 5.401) 11.875 6.447 ( 3.261 -3.765 2.698) 5.665 6.526 ( -1.500 2.888 -0.612) 3.311 6.655 ( -2.202 4.228 -4.236) 6.377 7.165 ( 1.651 0.297 -4.986) 5.261 7.602 ( 3.720 -0.953 -4.451) 5.878 8.309 ( -10.252 -11.912 17.869) 23.797 8.970 ( -19.102 -6.292 -19.502) 28.014 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 8.034 4.484 -6.936) 11.523 3.135 ( 7.050 14.274 2.480) 16.113 4.685 ( 14.207 4.262 -5.631) 15.865 5.180 ( 1.100 8.572 -1.315) 8.742 5.972 ( -1.772 2.418 2.953) 4.208 6.468 ( 0.912 0.206 2.258) 2.444 6.529 ( 0.202 2.061 -2.934) 3.592 6.679 ( 1.101 5.255 -2.916) 6.110 7.166 ( 0.882 1.031 -5.295) 5.466 7.701 ( 6.314 1.109 -1.070) 6.499 8.047 ( -12.666 -8.297 10.689) 18.534 8.648 ( -5.530 -5.395 -7.049) 10.459 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 5.239 2.451 -6.923) 9.021 3.347 ( 1.407 11.467 2.580) 11.837 4.840 ( 6.385 -2.093 -8.171) 10.579 5.268 ( -2.331 10.769 -1.979) 11.195 5.931 ( -3.399 1.417 3.158) 4.851 6.478 ( -2.330 2.558 2.096) 4.046 6.592 ( 5.331 2.159 -3.204) 6.583 6.743 ( 1.293 3.798 -1.723) 4.366 7.174 ( -0.183 2.106 -6.931) 7.246 7.580 ( -11.186 -3.630 -9.530) 15.136 8.075 ( 8.878 -1.475 22.721) 24.438 8.558 ( 1.730 -3.339 -1.471) 4.038 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 2.683 0.967 -5.876) 6.531 3.428 ( -4.970 8.688 2.930) 10.429 4.837 ( 1.451 -3.842 -10.256) 11.047 5.286 ( -5.645 8.394 -1.194) 10.186 5.964 ( 2.149 4.443 4.298) 6.545 6.457 ( -2.931 1.070 0.769) 3.214 6.692 ( 3.318 2.301 -2.063) 4.534 6.775 ( -0.218 2.158 -1.037) 2.404 7.113 ( -4.001 2.025 -13.323) 14.058 7.414 ( -2.908 -0.948 -0.028) 3.059 8.142 ( -5.851 -7.687 15.410) 18.188 8.739 ( 18.076 3.216 7.268) 19.746 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( -1.432 -1.339 -5.137) 5.499 3.363 ( -12.187 5.379 2.802) 13.612 4.764 ( -0.631 -4.448 -9.179) 10.220 5.246 ( -6.174 4.789 -0.163) 7.816 6.084 ( 2.109 5.770 3.899) 7.276 6.404 ( -2.372 -2.167 -0.833) 3.319 6.687 ( -5.202 3.074 -1.946) 6.348 6.790 ( -1.002 2.497 -0.918) 2.843 7.070 ( 2.234 2.705 -9.812) 10.420 7.386 ( -1.349 -1.370 1.772) 2.615 7.955 ( -8.569 -6.950 5.920) 12.521 9.173 ( 21.691 3.482 13.341) 25.702 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -7.996 -4.570 -4.867) 10.417 3.127 ( -19.818 0.983 1.769) 19.921 4.644 ( -4.928 -6.547 -5.987) 10.148 5.170 ( -6.448 2.613 -1.033) 7.034 6.088 ( -9.408 0.355 4.550) 10.456 6.336 ( -0.882 -4.538 -0.993) 4.729 6.623 ( -5.914 6.266 -1.003) 8.674 6.770 ( -4.110 3.238 -1.162) 5.359 7.180 ( 10.734 4.294 -6.455) 13.240 7.314 ( -4.061 -3.658 -1.945) 5.802 7.842 ( -0.101 -1.658 2.452) 2.962 9.615 ( 20.239 2.004 12.631) 23.942 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -15.006 -6.936 -3.865) 16.977 2.719 ( -26.327 -2.873 0.498) 26.488 4.363 ( -17.637 -10.399 -2.727) 20.656 5.076 ( -5.969 1.701 -2.097) 6.551 5.824 ( -17.525 -4.840 4.927) 18.836 6.279 ( 0.197 -5.288 -0.826) 5.356 6.593 ( -5.595 7.357 -1.449) 9.356 6.709 ( -5.657 2.766 -1.279) 6.426 7.178 ( -5.673 -3.759 -3.744) 7.767 7.486 ( 18.805 7.849 -6.487) 21.385 7.922 ( 7.734 1.607 3.103) 8.487 9.989 ( 17.213 -0.196 8.475) 19.188 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -0.000 22.783 11.045) 25.319 1.514 ( -0.000 13.267 21.567) 25.321 2.571 ( -0.000 40.475 7.457) 41.156 4.814 ( 0.000 1.607 -3.669) 4.006 5.097 ( -0.000 13.147 0.045) 13.147 6.149 ( 0.000 1.736 -2.814) 3.307 6.402 ( -0.000 3.350 1.631) 3.726 6.635 ( -0.000 -0.443 3.438) 3.467 6.784 ( -0.000 4.256 3.299) 5.385 7.771 ( 0.000 -4.728 -17.212) 17.850 9.156 ( -0.000 -19.748 11.403) 22.803 10.467 ( 0.000 -5.495 -8.653) 10.250 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 6.432 16.614 10.567) 20.714 1.803 ( 12.649 18.078 13.178) 25.700 3.056 ( 8.598 37.258 0.652) 38.243 4.856 ( 3.726 2.436 -3.284) 5.531 5.278 ( 4.199 14.777 2.457) 15.557 6.221 ( 5.408 1.444 -0.680) 5.639 6.474 ( 4.486 1.978 0.459) 4.924 6.636 ( -1.081 -0.306 3.415) 3.595 6.875 ( 4.221 4.563 1.165) 6.325 7.656 ( -0.712 -4.794 -15.008) 15.772 8.921 ( -5.937 -23.909 11.189) 27.057 10.245 ( -14.643 -4.765 -11.593) 19.274 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 7.307 10.943 4.855) 14.025 2.318 ( 16.324 21.563 7.436) 28.049 3.588 ( 14.890 28.560 -3.279) 32.375 4.955 ( 4.921 4.044 -2.808) 6.961 5.544 ( 7.731 14.458 4.373) 16.969 6.316 ( 3.839 0.058 3.003) 4.875 6.572 ( 4.103 1.111 -4.017) 5.849 6.630 ( -0.425 1.772 2.583) 3.161 7.007 ( 5.987 2.748 -1.127) 6.683 7.553 ( -0.075 -4.186 -11.356) 12.103 8.601 ( -7.452 -23.261 12.601) 27.484 9.811 ( -23.852 -4.433 -14.910) 28.476 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 8.354 8.145 -2.177) 11.869 2.809 ( 12.531 21.555 4.729) 25.377 4.089 ( 17.257 17.771 -3.888) 25.074 5.078 ( 4.561 6.142 -2.226) 7.968 5.833 ( 7.573 12.025 3.456) 14.626 6.379 ( 2.716 -1.090 4.452) 5.328 6.589 ( -1.200 2.662 -1.724) 3.391 6.680 ( 1.264 3.588 -3.684) 5.296 7.098 ( 3.820 -0.164 -4.388) 5.820 7.506 ( 2.878 -2.585 -5.828) 6.996 8.344 ( -3.927 -17.796 16.098) 24.316 9.258 ( -26.864 -4.631 -17.282) 32.277 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 7.727 5.309 -6.052) 11.159 3.204 ( 7.233 20.343 3.257) 21.834 4.480 ( 13.989 8.057 -3.902) 16.608 5.221 ( 4.132 9.184 -1.642) 10.204 6.028 ( 1.771 7.419 0.906) 7.682 6.422 ( 2.375 -0.961 1.374) 2.907 6.589 ( -1.930 3.952 -1.402) 4.616 6.714 ( 0.062 5.056 -2.843) 5.800 7.122 ( 2.621 -0.605 -5.264) 5.911 7.575 ( 7.625 0.199 -0.241) 7.632 8.191 ( -6.565 -11.338 14.299) 19.393 8.736 ( -17.913 -5.582 -13.312) 23.005 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 6.180 3.227 -6.925) 9.826 3.486 ( 1.765 18.323 3.320) 18.705 4.693 ( 7.374 1.366 -4.976) 9.000 5.384 ( 2.209 12.502 -2.380) 12.917 6.040 ( -5.323 3.454 0.010) 6.346 6.475 ( 4.778 -0.058 -1.545) 5.022 6.590 ( -2.706 4.642 -1.053) 5.475 6.773 ( 0.857 5.480 -0.089) 5.547 7.159 ( 2.698 1.936 -4.889) 5.910 7.684 ( -2.050 -0.009 -5.467) 5.839 7.997 ( -1.667 -5.662 13.102) 14.370 8.500 ( -1.612 -7.230 -0.253) 7.412 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 4.239 2.000 -6.195) 7.769 3.652 ( -4.205 16.190 4.210) 17.249 4.745 ( 2.082 -1.933 -6.601) 7.187 5.485 ( -4.979 12.674 -3.784) 14.133 6.004 ( -1.017 3.852 1.435) 4.234 6.523 ( -2.763 0.663 -0.489) 2.883 6.608 ( 5.241 1.059 -3.275) 6.270 6.837 ( -0.686 6.147 1.513) 6.367 7.182 ( -2.680 5.197 -8.606) 10.405 7.487 ( -8.697 -1.290 -3.796) 9.577 8.137 ( 6.025 -8.224 18.978) 21.543 8.490 ( 10.118 -3.123 0.981) 10.634 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( 1.101 0.654 -5.294) 5.446 3.683 ( -11.623 13.302 4.608) 18.256 4.699 ( -0.460 -3.730 -7.463) 8.356 5.443 ( -9.457 8.236 -2.200) 12.732 6.105 ( 4.219 7.406 0.896) 8.570 6.431 ( -4.659 -2.559 -2.055) 5.699 6.714 ( 5.919 0.310 -2.269) 6.347 6.876 ( -3.788 7.589 2.646) 8.885 7.112 ( -6.374 6.976 -10.136) 13.857 7.397 ( -1.550 -2.358 1.158) 3.051 8.047 ( -7.571 -9.634 8.968) 15.184 8.819 ( 23.976 -1.944 8.519) 25.519 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( -4.316 -1.210 -4.620) 6.437 3.532 ( -20.053 7.972 3.199) 21.816 4.618 ( -1.582 -4.371 -5.741) 7.387 5.336 ( -9.129 4.553 -1.266) 10.279 6.227 ( -1.191 6.344 -0.023) 6.454 6.327 ( -3.070 -3.191 -0.226) 4.434 6.779 ( 0.319 3.396 -2.129) 4.021 6.874 ( -5.784 6.655 2.194) 9.086 7.083 ( 0.593 5.408 -6.720) 8.646 7.327 ( -2.947 -4.953 -0.910) 5.835 7.867 ( -5.127 -4.953 4.188) 8.268 9.251 ( 24.831 -3.847 8.228) 26.440 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( -11.093 -2.261 -3.375) 11.814 3.184 ( -26.536 2.355 1.377) 26.676 4.486 ( -7.767 -4.704 -3.762) 9.828 5.216 ( -8.185 2.700 -1.525) 8.753 6.111 ( -15.556 -0.730 2.051) 15.708 6.256 ( -2.263 -2.776 1.468) 3.871 6.783 ( -6.429 7.890 -0.335) 10.183 6.822 ( -4.908 2.751 -3.472) 6.611 7.210 ( -2.451 -3.217 -3.928) 5.638 7.242 ( 12.386 5.436 -2.224) 13.708 7.837 ( 3.165 -0.903 2.724) 4.272 9.635 ( 22.374 -6.174 3.818) 23.522 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -0.000 10.487 13.318) 16.951 1.917 ( -0.000 25.820 7.307) 26.835 3.357 ( 0.000 35.830 -3.311) 35.983 4.833 ( 0.000 2.900 -2.952) 4.138 5.419 ( -0.000 17.621 3.817) 18.030 6.193 ( 0.000 4.025 -1.049) 4.159 6.461 ( -0.000 0.341 4.301) 4.314 6.651 ( -0.000 0.062 1.853) 1.854 6.892 ( -0.000 5.202 0.146) 5.204 7.560 ( 0.000 -5.116 -12.968) 13.941 8.746 ( -0.000 -27.669 8.987) 29.092 10.279 ( 0.000 -5.666 -12.753) 13.955 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 2.382 9.594 6.335) 11.741 2.314 ( 12.052 24.329 6.344) 27.881 3.707 ( 4.439 29.190 -5.468) 30.028 4.898 ( 4.354 3.963 -2.359) 6.343 5.638 ( 2.430 18.263 4.393) 18.940 6.275 ( 3.739 3.413 1.774) 5.364 6.498 ( 2.860 -0.017 0.917) 3.004 6.662 ( 0.243 1.015 1.664) 1.965 6.963 ( 2.357 4.315 -1.300) 5.086 7.466 ( 0.170 -5.197 -9.575) 10.896 8.472 ( -2.722 -26.602 8.283) 27.995 10.046 ( -14.006 -5.830 -14.358) 20.888 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 4.476 7.697 -0.408) 8.913 2.811 ( 14.704 22.903 4.677) 27.616 4.045 ( 8.316 20.003 -4.511) 22.128 5.031 ( 6.268 5.457 -1.857) 8.515 5.880 ( 3.894 15.625 2.092) 16.239 6.361 ( 1.738 0.929 5.738) 6.067 6.558 ( 3.901 0.956 -5.155) 6.535 6.705 ( 1.101 4.270 0.908) 4.503 7.026 ( 2.289 0.960 -3.595) 4.368 7.409 ( 2.397 -4.168 -4.188) 6.376 8.233 ( -0.660 -20.280 10.305) 22.757 9.601 ( -23.651 -5.645 -15.617) 28.899 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 5.637 5.559 -4.544) 9.129 3.277 ( 11.026 21.909 3.075) 24.719 4.352 ( 10.258 11.109 -2.583) 15.340 5.204 ( 6.854 7.694 -1.243) 10.379 6.075 ( 2.814 10.520 -1.343) 10.972 6.397 ( 0.455 -0.730 2.829) 2.956 6.610 ( 2.491 2.122 -3.091) 4.501 6.769 ( -0.177 6.327 -1.410) 6.484 7.037 ( 2.328 -2.136 -4.239) 5.287 7.459 ( 6.311 0.123 0.854) 6.369 8.132 ( 2.532 -13.160 12.424) 18.274 9.042 ( -26.717 -5.423 -15.138) 31.183 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 5.774 3.883 -5.753) 9.029 3.640 ( 5.272 20.556 2.726) 21.395 4.578 ( 7.586 4.265 -2.291) 9.000 5.414 ( 6.980 10.951 -1.252) 13.047 6.159 ( -2.392 6.026 -2.584) 6.979 6.392 ( 1.779 -1.947 -2.490) 3.627 6.675 ( 0.592 5.329 0.990) 5.453 6.820 ( -0.416 6.228 -0.542) 6.265 7.065 ( 5.485 -2.199 -2.855) 6.563 7.607 ( 7.566 2.149 1.658) 8.038 8.079 ( -3.852 -8.207 9.006) 12.778 8.541 ( -15.936 -6.141 -8.341) 19.006 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 4.992 2.942 -5.274) 7.836 3.890 ( -0.377 18.799 3.878) 19.199 4.676 ( 2.755 -0.257 -3.432) 4.409 5.629 ( 3.208 13.909 -2.893) 14.565 6.104 ( -6.371 3.402 -1.747) 7.431 6.441 ( 6.841 -2.007 -2.204) 7.462 6.675 ( -7.491 4.865 -1.846) 9.121 6.895 ( 1.937 5.787 2.349) 6.539 7.165 ( 7.210 0.920 -2.913) 7.831 7.650 ( -8.601 0.978 -5.057) 10.025 7.978 ( 4.628 -6.031 11.458) 13.751 8.358 ( 0.688 -6.962 0.842) 7.046 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 3.007 2.183 -4.548) 5.873 4.022 ( -7.199 16.329 5.246) 18.600 4.653 ( -0.823 -3.427 -5.082) 6.185 5.704 ( -9.430 11.498 -3.462) 15.268 6.101 ( 3.232 5.840 -0.794) 6.722 6.515 ( -4.737 -0.207 -1.088) 4.864 6.568 ( 4.178 -2.461 -2.950) 5.676 6.992 ( 0.191 7.413 1.327) 7.533 7.262 ( 0.644 5.646 -4.226) 7.082 7.448 ( -10.113 -0.139 -1.535) 10.230 8.049 ( 1.316 -10.068 10.431) 14.556 8.431 ( 16.357 -4.949 2.809) 17.319 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -0.787 1.248 -4.112) 4.369 3.965 ( -17.274 9.576 3.809) 20.115 4.583 ( -0.643 -2.661 -4.141) 4.964 5.571 ( -12.747 5.851 -1.620) 14.119 6.263 ( 4.618 8.655 -2.079) 10.028 6.383 ( -5.931 -0.701 0.445) 5.989 6.663 ( 8.266 -3.467 -2.396) 9.278 7.040 ( -3.392 7.150 -1.882) 8.135 7.258 ( -10.230 10.749 -0.650) 14.853 7.303 ( -1.217 -6.949 -1.190) 7.154 7.930 ( -5.765 -6.641 5.152) 10.192 8.770 ( 25.674 -7.391 3.789) 26.984 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -6.165 0.913 -3.439) 7.119 3.657 ( -24.430 1.455 1.005) 24.494 4.542 ( -2.903 0.531 -1.756) 3.434 5.402 ( -10.917 2.736 -0.977) 11.297 6.279 ( -4.972 0.540 1.072) 5.115 6.342 ( -5.526 2.276 -0.513) 5.999 6.779 ( 8.402 0.075 -3.348) 9.045 6.977 ( -8.500 1.001 -2.650) 8.959 7.156 ( -1.427 -0.417 -3.637) 3.929 7.276 ( -3.736 6.441 2.797) 7.954 7.825 ( -2.084 -2.157 3.610) 4.694 9.141 ( 25.554 -9.529 -0.792) 27.284 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -0.000 7.614 4.038) 8.618 2.473 ( -0.000 24.888 4.469) 25.286 3.923 ( 0.000 24.353 -6.208) 25.132 4.893 ( 0.000 4.902 -1.520) 5.132 5.828 ( -0.000 18.873 4.187) 19.332 6.287 ( -0.000 5.239 0.737) 5.290 6.480 ( -0.000 -1.586 4.539) 4.808 6.663 ( 0.000 0.389 -0.158) 0.420 6.992 ( 0.000 5.384 -2.031) 5.755 7.376 ( 0.000 -6.570 -5.927) 8.848 8.259 ( -0.000 -23.702 5.163) 24.258 10.048 ( 0.000 -7.416 -15.104) 16.826 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 1.539 6.338 -0.319) 6.530 2.823 ( 10.631 22.395 3.235) 25.000 4.133 ( 2.404 17.480 -4.298) 18.160 4.984 ( 4.429 5.991 -0.988) 7.516 6.011 ( 0.091 14.765 1.360) 14.828 6.369 ( 2.012 3.355 4.131) 5.689 6.493 ( 2.063 -0.277 -0.545) 2.152 6.694 ( 3.101 1.427 -0.314) 3.428 7.019 ( -0.261 1.337 -4.353) 4.562 7.316 ( 1.683 -4.546 0.690) 4.897 8.080 ( 0.189 -14.582 4.645) 15.305 9.797 ( -12.912 -8.164 -15.765) 21.952 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 3.068 5.100 -3.165) 6.741 3.270 ( 14.498 20.063 1.795) 24.819 4.327 ( 4.964 10.781 -1.304) 11.941 5.147 ( 7.108 7.005 -0.584) 9.997 6.131 ( 0.869 7.935 -2.299) 8.307 6.409 ( -0.734 -0.030 4.105) 4.170 6.554 ( 4.258 2.024 -2.517) 5.345 6.767 ( 3.407 0.402 -3.488) 4.893 7.007 ( 1.243 0.562 -2.086) 2.492 7.364 ( 4.710 0.156 5.215) 7.029 8.019 ( 1.676 -5.496 5.783) 8.152 9.351 ( -21.788 -8.184 -15.386) 27.901 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 4.284 4.151 -3.724) 7.032 3.700 ( 11.689 18.539 0.625) 21.925 4.502 ( 6.017 4.980 0.342) 7.818 5.365 ( 9.240 8.909 -0.017) 12.835 6.189 ( 1.949 1.916 -3.756) 4.645 6.386 ( -2.744 0.324 -1.861) 3.331 6.656 ( 5.573 1.599 3.887) 6.980 6.813 ( 5.464 -0.970 -3.612) 6.622 7.044 ( -2.234 6.159 -1.213) 6.663 7.501 ( 8.103 0.419 5.103) 9.585 8.040 ( 1.174 -1.567 5.716) 6.042 8.812 ( -23.917 -7.553 -12.614) 28.074 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 4.678 3.592 -3.074) 6.651 4.035 ( 6.171 16.992 1.112) 18.112 4.615 ( 3.507 0.095 -0.248) 3.517 5.635 ( 9.542 11.848 -0.492) 15.220 6.217 ( -0.153 0.879 -2.206) 2.380 6.324 ( -0.791 -1.620 -2.994) 3.495 6.813 ( 5.675 4.730 5.180) 9.023 6.913 ( 5.218 1.936 -2.174) 5.975 7.016 ( -3.167 1.493 -1.219) 3.707 7.657 ( 6.402 0.684 1.820) 6.691 8.009 ( -5.902 -2.519 2.466) 6.874 8.373 ( -12.130 -5.863 -4.503) 14.205 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 3.875 3.100 -2.540) 5.575 4.259 ( 0.268 14.987 3.021) 15.291 4.614 ( -0.489 -4.352 -2.201) 4.901 5.891 ( 3.493 13.932 -1.895) 14.487 6.151 ( -5.481 2.351 -0.973) 6.043 6.361 ( 7.924 -4.503 -1.593) 9.252 6.765 ( -15.308 5.414 -1.062) 16.272 7.031 ( 3.785 5.881 2.606) 7.463 7.111 ( 13.342 -5.409 -1.859) 14.516 7.663 ( -8.426 3.085 -2.667) 9.361 7.918 ( 2.984 -5.795 5.384) 8.454 8.243 ( 1.354 -5.032 0.654) 5.252 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 1.641 2.507 -2.639) 3.993 4.304 ( -11.307 5.041 2.278) 12.588 4.554 ( 0.967 -0.844 -1.837) 2.241 5.868 ( -14.258 6.206 -1.021) 15.583 6.239 ( 6.992 8.592 -1.882) 11.236 6.453 ( 8.406 -5.185 -1.848) 10.048 6.554 ( -11.869 2.697 2.331) 12.393 7.129 ( 1.010 4.760 -1.043) 4.976 7.206 ( 3.330 -6.062 -4.024) 8.002 7.538 ( -9.842 7.092 1.559) 12.231 7.929 ( 1.062 -6.888 3.898) 7.986 8.325 ( 15.340 -6.325 0.549) 16.602 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -1.893 2.310 -2.967) 4.210 4.019 ( -18.796 -5.485 -0.975) 19.604 4.598 ( -0.493 5.228 1.145) 5.375 5.648 ( -14.744 2.404 -0.006) 14.938 6.376 ( 0.084 0.834 -2.982) 3.098 6.415 ( -5.144 2.570 1.854) 6.042 6.592 ( 9.658 0.767 0.598) 9.707 7.079 ( -5.651 -9.036 -4.996) 11.771 7.157 ( -1.744 4.880 -3.985) 6.538 7.479 ( -7.294 6.910 5.423) 11.418 7.865 ( -2.666 -3.057 2.996) 5.043 8.602 ( 23.618 -8.404 -3.600) 25.326 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 0.000 5.113 -1.430) 5.310 2.945 ( -0.000 19.599 1.809) 19.682 4.252 ( 0.000 12.555 -2.453) 12.793 5.008 ( -0.000 7.109 -0.264) 7.114 6.139 ( -0.000 8.633 -0.468) 8.646 6.402 ( -0.000 5.019 2.081) 5.433 6.480 ( -0.000 -0.678 3.661) 3.723 6.661 ( 0.000 0.092 -2.037) 2.039 6.957 ( 0.000 -10.053 -5.438) 11.430 7.315 ( -0.000 4.777 4.741) 6.730 8.002 ( -0.000 -2.582 2.449) 3.559 9.757 ( 0.000 -10.307 -16.318) 19.301 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 1.189 4.395 -1.937) 4.947 3.225 ( 10.800 16.118 0.533) 19.410 4.363 ( 1.747 7.664 0.336) 7.868 5.117 ( 4.107 7.449 -0.097) 8.507 6.171 ( -0.788 1.421 -2.843) 3.275 6.454 ( -1.471 1.742 5.333) 5.800 6.506 ( 2.785 2.761 -0.992) 4.045 6.684 ( 2.602 -1.921 -4.481) 5.526 6.880 ( 7.011 -8.821 0.559) 11.282 7.390 ( -0.473 6.042 3.719) 7.111 8.041 ( -0.700 8.297 3.276) 8.948 9.485 ( -11.413 -11.443 -16.206) 22.887 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 2.519 4.080 -1.122) 4.925 3.613 ( 15.959 13.668 -1.092) 21.041 4.470 ( 3.462 3.550 2.481) 5.545 5.295 ( 7.911 7.422 0.447) 10.857 6.143 ( 0.429 -2.578 -4.037) 4.810 6.447 ( -2.432 2.444 0.508) 3.485 6.584 ( 3.045 -2.020 3.541) 5.088 6.690 ( 5.351 -0.961 -2.637) 6.042 7.027 ( 10.901 0.786 0.473) 10.939 7.439 ( 0.435 1.920 3.544) 4.054 8.134 ( -3.352 12.946 3.339) 13.783 9.045 ( -18.761 -11.522 -14.540) 26.384 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 3.537 3.879 0.083) 5.249 4.003 ( 14.207 12.055 -2.207) 18.762 4.558 ( 3.184 -0.407 2.882) 4.314 5.548 ( 11.975 8.155 1.298) 14.546 6.125 ( 2.887 -3.627 -2.882) 5.458 6.412 ( -4.968 3.132 -0.951) 5.949 6.636 ( 8.179 -6.244 2.699) 10.638 6.826 ( 7.090 3.368 2.862) 8.355 7.176 ( -0.256 7.265 -3.303) 7.985 7.502 ( 7.601 -3.913 4.297) 9.569 8.171 ( -8.553 11.342 0.958) 14.238 8.553 ( -18.208 -10.198 -9.773) 23.045 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 3.653 3.470 0.569) 5.071 4.311 ( 9.317 10.277 -1.481) 13.951 4.570 ( -0.310 -4.895 1.592) 5.156 5.860 ( 12.893 8.952 0.859) 15.720 6.150 ( 4.567 -3.745 -0.855) 5.968 6.337 ( -6.767 3.161 0.237) 7.473 6.768 ( 14.233 -7.914 -0.759) 16.303 6.996 ( 6.193 4.563 4.518) 8.921 7.109 ( -13.321 6.115 -1.511) 14.735 7.638 ( 9.310 -3.133 0.300) 9.828 8.013 ( -14.694 1.726 -2.809) 15.059 8.259 ( -6.441 -2.357 -1.013) 6.934 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 2.638 2.882 0.001) 3.907 4.449 ( -5.845 -9.471 -0.145) 11.131 4.522 ( 4.949 8.234 0.138) 9.607 6.130 ( -6.871 6.734 0.801) 9.654 6.139 ( 10.048 -3.203 -0.857) 10.581 6.303 ( 2.311 2.719 0.252) 3.577 6.869 ( -14.618 3.329 2.166) 15.148 6.923 ( 10.117 -9.252 -3.991) 14.279 7.169 ( 5.686 5.799 2.206) 8.415 7.703 ( -1.584 1.202 -1.602) 2.554 7.844 ( -2.114 -3.532 1.118) 4.265 8.177 ( -0.768 -1.122 -0.085) 1.362 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 0.635 2.555 -1.212) 2.899 4.184 ( -11.596 -12.258 -1.013) 16.905 4.655 ( 1.890 6.527 1.071) 6.879 5.930 ( -14.693 -0.397 1.013) 14.733 6.253 ( 6.413 -6.981 -2.598) 9.829 6.438 ( 4.827 5.918 -1.494) 7.782 6.689 ( -10.482 5.714 8.528) 14.672 6.948 ( 4.934 -10.517 -6.475) 13.300 7.273 ( -2.276 7.648 -3.070) 8.549 7.645 ( -4.821 -0.052 5.574) 7.370 7.818 ( 3.013 -5.740 -1.684) 6.698 8.243 ( 9.397 0.308 -1.651) 9.546 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -0.000 3.980 -0.303) 3.991 3.264 ( -0.000 11.646 -0.303) 11.650 4.412 ( -0.000 4.064 2.431) 4.735 5.155 ( -0.000 7.188 -0.350) 7.196 6.157 ( 0.000 -2.883 -3.630) 4.635 6.508 ( -0.000 3.630 2.678) 4.511 6.525 ( -0.000 2.635 2.444) 3.594 6.636 ( 0.000 -0.484 -2.904) 2.944 6.691 ( -0.000 -11.634 2.247) 11.849 7.461 ( -0.000 4.816 0.164) 4.819 8.204 ( -0.000 18.091 4.186) 18.569 9.396 ( 0.000 -13.591 -16.705) 21.535 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 1.088 3.917 1.783) 4.439 3.463 ( 11.746 8.123 -1.435) 14.353 4.465 ( 1.564 1.495 4.223) 4.745 5.254 ( 4.248 5.671 -0.439) 7.099 6.104 ( -0.663 -2.780 -3.913) 4.845 6.513 ( -2.682 -0.071 3.451) 4.371 6.554 ( -0.964 -1.879 0.800) 2.258 6.602 ( 4.348 1.989 0.836) 4.854 6.791 ( 12.738 -2.730 2.400) 13.246 7.485 ( -1.126 2.718 -1.181) 3.170 8.387 ( -3.500 19.777 4.036) 20.485 9.110 ( -9.867 -13.557 -16.105) 23.249 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 2.142 3.743 3.443) 5.518 3.790 ( 18.007 5.502 -3.108) 19.083 4.522 ( 2.118 -0.533 4.977) 5.435 5.417 ( 9.481 3.401 0.629) 10.092 6.068 ( 0.243 -0.495 -2.708) 2.764 6.492 ( 1.985 -4.424 2.737) 5.568 6.525 ( -3.117 2.745 0.362) 4.169 6.745 ( 7.057 2.664 5.313) 9.227 7.028 ( 15.507 -0.644 -0.406) 15.526 7.469 ( -2.149 0.232 -0.650) 2.257 8.478 ( -7.096 12.907 2.391) 14.921 8.702 ( -17.080 -7.891 -13.475) 23.143 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 2.790 3.110 3.863) 5.690 4.128 ( 17.064 1.913 -3.861) 17.599 4.546 ( 0.171 -2.549 4.068) 4.804 5.648 ( 14.502 -0.892 1.614) 14.619 6.096 ( 2.093 3.823 -0.480) 4.385 6.489 ( -4.245 2.233 2.085) 5.230 6.519 ( 4.929 -3.860 0.283) 6.266 6.921 ( 7.766 2.184 6.057) 10.088 7.265 ( 6.636 4.198 -3.793) 8.720 7.422 ( 2.849 -6.137 1.610) 6.955 8.261 ( -12.826 -11.275 -8.376) 19.021 8.462 ( -15.486 15.671 0.247) 22.034 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 2.732 2.284 2.954) 4.627 4.322 ( 7.391 -9.946 -1.007) 12.432 4.540 ( 1.310 3.006 0.581) 3.331 5.859 ( 13.534 -8.655 0.655) 16.079 6.219 ( 3.533 9.067 1.804) 9.897 6.426 ( -7.458 3.928 2.979) 8.940 6.593 ( 10.202 -6.531 -4.641) 12.972 7.096 ( 7.373 2.030 4.964) 9.117 7.171 ( -11.794 -1.370 2.072) 12.052 7.563 ( 12.007 -2.929 -2.787) 12.670 7.971 ( -9.348 -3.477 -3.596) 10.602 8.325 ( -13.837 9.217 0.583) 16.636 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -0.000 3.731 4.502) 5.847 3.408 ( 0.000 3.627 -1.548) 3.944 4.479 ( -0.000 0.479 5.776) 5.796 5.258 ( 0.000 3.154 -1.522) 3.502 6.079 ( 0.000 -0.574 -3.623) 3.668 6.543 ( 0.000 -1.456 -1.413) 2.029 6.548 ( -0.000 -5.615 4.389) 7.127 6.621 ( -0.000 3.594 6.693) 7.597 6.642 ( -0.000 2.480 1.367) 2.832 7.510 ( 0.000 1.722 -2.847) 3.327 8.603 ( -0.000 10.416 2.387) 10.686 9.028 ( 0.000 -4.705 -15.151) 15.865 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 0.875 3.080 6.176) 6.957 3.530 ( 12.390 0.021 -2.452) 12.630 4.515 ( 0.863 0.111 6.631) 6.688 5.309 ( 4.752 0.123 -1.182) 4.898 6.072 ( -0.241 2.339 -2.602) 3.507 6.451 ( -1.996 -4.338 1.883) 5.133 6.590 ( 1.716 1.520 2.519) 3.406 6.703 ( 2.922 3.907 6.565) 8.179 6.773 ( 10.712 -0.367 1.513) 10.825 7.498 ( -1.342 0.212 -2.995) 3.289 8.528 ( -3.813 -14.886 -6.580) 16.716 8.985 ( -9.536 18.761 -6.119) 21.917 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 1.716 1.682 6.280) 6.724 3.779 ( 18.686 -4.386 -3.580) 19.525 4.543 ( -0.008 -1.023 5.812) 5.901 5.417 ( 9.586 -3.391 0.468) 10.179 6.115 ( 1.657 5.741 -0.546) 6.000 6.405 ( 0.834 -4.231 0.497) 4.340 6.631 ( -2.300 4.463 4.519) 6.755 6.838 ( 6.095 2.054 6.759) 9.330 7.003 ( 16.158 -1.075 -0.983) 16.224 7.437 ( -3.602 -2.637 -2.118) 4.941 8.239 ( -5.989 -16.576 -8.093) 19.393 8.947 ( -16.820 20.523 -2.573) 26.659 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 2.520 0.187 5.010) 5.611 4.001 ( 15.778 -11.822 -2.602) 19.886 4.544 ( 0.109 -0.397 2.824) 2.854 5.555 ( 11.613 -7.674 1.210) 13.972 6.242 ( 4.533 7.869 1.664) 9.232 6.394 ( 3.265 -4.686 -1.624) 5.938 6.626 ( -5.958 5.523 4.159) 9.127 6.993 ( 7.463 0.332 6.066) 9.624 7.268 ( 12.778 -5.813 -0.977) 14.072 7.302 ( -3.436 -1.864 -1.735) 4.277 7.989 ( -3.972 -9.787 -5.556) 11.934 8.795 ( -21.312 17.371 -0.623) 27.502 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -0.000 1.577 7.645) 7.806 3.389 ( 0.000 -4.167 -2.197) 4.711 4.541 ( -0.000 0.797 7.950) 7.990 5.250 ( 0.000 -2.443 -1.818) 3.045 6.096 ( 0.000 4.031 -2.679) 4.840 6.480 ( 0.000 -2.709 -2.340) 3.580 6.501 ( -0.000 -3.385 6.497) 7.326 6.705 ( -0.000 1.707 2.323) 2.883 6.778 ( -0.000 6.490 8.127) 10.400 7.494 ( 0.000 -1.238 -3.573) 3.781 8.349 ( 0.000 -19.833 -8.782) 21.691 9.262 ( 0.000 22.337 -4.661) 22.818 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 0.616 -0.991 7.428) 7.519 3.427 ( 11.948 -8.605 -2.693) 14.968 4.570 ( -0.821 -0.356 7.699) 7.751 5.254 ( 4.971 -4.322 -0.535) 6.609 6.139 ( 1.215 4.666 -1.699) 5.112 6.389 ( -2.614 -3.104 0.687) 4.116 6.614 ( 8.424 -1.246 3.689) 9.280 6.769 ( 5.438 0.129 0.675) 5.481 6.879 ( 0.768 6.803 8.171) 10.659 7.441 ( -1.770 -4.274 -2.964) 5.494 8.109 ( -2.251 -16.529 -7.568) 18.318 9.378 ( -9.760 20.981 -4.636) 23.599 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 1.946 -3.641 5.779) 7.102 3.565 ( 17.022 -14.385 -2.795) 22.461 4.556 ( -1.429 -2.443 5.301) 6.009 5.323 ( 8.187 -5.838 1.120) 10.118 6.222 ( 4.214 2.359 0.416) 4.848 6.332 ( -0.293 -3.008 -0.866) 3.144 6.738 ( 2.372 2.280 4.988) 5.976 6.887 ( 7.970 -1.807 0.390) 8.182 7.022 ( 7.313 4.400 3.900) 9.384 7.326 ( -3.663 -6.882 -0.720) 7.829 7.920 ( -2.007 -8.603 -5.206) 10.254 9.316 ( -17.868 18.521 -3.509) 25.973 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -0.000 -4.689 7.398) 8.759 3.205 ( 0.000 -12.716 -2.316) 12.925 4.603 ( -0.000 -1.810 8.582) 8.771 5.159 ( 0.000 -5.094 -0.281) 5.102 6.148 ( 0.000 0.849 -3.493) 3.594 6.412 ( 0.000 -2.608 -1.509) 3.013 6.492 ( -0.000 -2.259 5.425) 5.876 6.730 ( -0.000 -0.673 1.209) 1.384 6.992 ( -0.000 9.301 7.659) 12.048 7.389 ( 0.000 -7.198 -1.989) 7.468 7.964 ( 0.000 -10.145 -5.576) 11.576 9.647 ( 0.000 19.717 -6.410) 20.732 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 0.780 -8.518 5.918) 10.401 3.148 ( 10.955 -17.366 -2.086) 20.638 4.573 ( -2.195 -5.976 6.796) 9.312 5.158 ( 5.157 -5.070 1.176) 7.326 6.133 ( 3.319 -6.534 -3.603) 8.166 6.332 ( -3.292 -2.879 -0.109) 4.375 6.604 ( 10.251 -1.649 2.449) 10.668 6.757 ( 4.051 -1.960 0.967) 4.603 7.114 ( -1.123 12.253 5.979) 13.680 7.295 ( -1.507 -7.748 1.049) 7.962 7.877 ( -1.341 -2.089 -3.614) 4.384 9.722 ( -9.855 17.711 -6.769) 21.368 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -0.000 -13.137 5.705) 14.322 2.851 ( 0.000 -21.125 -1.450) 21.175 4.529 ( -0.000 -13.065 5.848) 14.314 5.067 ( -0.000 -4.440 1.721) 4.762 5.971 ( 0.000 -14.732 -6.437) 16.077 6.360 ( -0.000 -1.957 0.321) 1.983 6.487 ( -0.000 -1.663 3.975) 4.309 6.696 ( 0.000 -2.907 -0.467) 2.945 7.240 ( -0.000 -7.184 3.241) 7.881 7.295 ( -0.000 17.046 6.190) 18.136 7.891 ( 0.000 4.159 -2.595) 4.902 9.948 ( 0.000 16.218 -9.096) 18.594 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -0.000 -0.000 22.230) 22.230 0.844 ( -0.000 -0.000 22.230) 22.230 1.512 ( -0.000 -0.000 41.764) 41.764 4.804 ( 0.000 0.000 -3.800) 3.800 4.804 ( 0.000 0.000 -3.800) 3.800 6.176 ( 0.000 0.000 -3.154) 3.154 6.176 ( 0.000 0.000 -3.154) 3.154 6.650 ( -0.000 -0.000 5.011) 5.011 6.650 ( -0.000 -0.000 5.011) 5.011 7.942 ( 0.000 0.000 -19.748) 19.748 9.420 ( -0.000 -0.000 11.180) 11.180 10.737 ( 0.000 0.000 -0.490) 0.490 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 16.384 9.459 20.369) 27.799 1.161 ( 15.185 8.767 17.070) 24.471 1.845 ( 17.321 10.000 28.115) 34.503 4.814 ( 1.715 0.990 -3.964) 4.431 4.865 ( 6.861 3.961 -2.541) 8.320 6.217 ( 2.714 1.567 -2.898) 4.268 6.277 ( 9.867 5.697 -4.862) 12.388 6.669 ( -0.552 -0.319 4.969) 5.010 6.715 ( 4.266 2.463 4.433) 6.627 7.846 ( -1.880 -1.086 -19.239) 19.361 9.414 ( -5.310 -3.066 10.279) 11.969 10.552 ( -14.397 -8.312 -1.348) 16.679 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 13.192 7.616 17.346) 23.085 1.615 ( 19.084 11.018 11.176) 24.708 2.494 ( 31.397 18.127 9.098) 37.378 4.854 ( 3.015 1.741 -3.908) 5.234 5.090 ( 12.386 7.151 1.365) 14.367 6.278 ( 3.483 2.011 -2.996) 5.015 6.497 ( 8.914 5.146 -2.761) 10.657 6.656 ( -2.128 -1.229 4.303) 4.955 6.856 ( 6.662 3.846 2.858) 8.206 7.725 ( -2.573 -1.485 -17.292) 17.545 9.229 ( -13.941 -8.049 11.945) 20.045 10.132 ( -19.806 -11.435 -7.649) 24.115 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 12.494 7.213 7.458) 16.240 2.097 ( 19.535 11.278 6.593) 23.501 3.271 ( 33.198 19.167 0.725) 38.341 4.921 ( 3.878 2.239 -3.546) 5.713 5.415 ( 14.058 8.117 5.479) 17.133 6.356 ( 4.339 2.505 -3.229) 5.960 6.606 ( -3.247 -1.875 3.579) 5.183 6.621 ( 2.196 1.268 -0.270) 2.550 7.029 ( 7.070 4.082 -0.451) 8.177 7.616 ( -1.532 -0.884 -13.856) 13.968 8.903 ( -17.338 -10.010 15.263) 25.175 9.607 ( -21.718 -12.539 -15.186) 29.317 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 11.790 6.807 -1.357) 13.682 2.546 ( 17.540 10.127 3.605) 20.572 3.980 ( 27.991 16.160 -2.903) 32.451 5.001 ( 3.913 2.259 -2.859) 5.347 5.742 ( 11.504 6.642 7.133) 15.078 6.453 ( 4.943 2.854 -3.321) 6.603 6.543 ( -2.979 -1.720 3.294) 4.763 6.608 ( -2.719 -1.570 -0.839) 3.250 7.133 ( 2.385 1.377 -4.362) 5.159 7.574 ( 1.871 1.080 -8.503) 8.773 8.590 ( -15.321 -8.846 17.750) 25.061 9.060 ( -18.810 -10.860 -18.064) 28.250 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 9.457 5.460 -6.354) 12.634 2.919 ( 13.771 7.951 2.361) 16.076 4.508 ( 18.807 10.858 -5.888) 22.500 5.075 ( 3.222 1.860 -1.656) 4.072 5.952 ( 3.587 2.071 5.869) 7.183 6.489 ( -1.765 -1.019 2.732) 3.408 6.526 ( -2.289 -1.322 -2.984) 3.987 6.567 ( 4.932 2.847 -2.596) 6.259 7.135 ( 0.418 0.241 -5.609) 5.630 7.648 ( 5.779 3.336 -3.494) 7.532 8.254 ( -16.984 -9.806 4.771) 20.183 8.724 ( -6.907 -3.988 -1.558) 8.127 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 6.594 3.807 -7.885) 10.961 3.189 ( 8.729 5.040 2.266) 10.331 4.788 ( 8.154 4.708 -10.552) 14.142 5.137 ( 2.427 1.401 0.326) 2.822 5.953 ( -3.115 -1.798 4.583) 5.826 6.467 ( -1.120 -0.647 3.140) 3.396 6.537 ( 3.914 2.260 -3.300) 5.596 6.665 ( 4.186 2.417 -2.965) 5.670 7.129 ( 0.437 0.252 -6.369) 6.389 7.627 ( -8.206 -4.738 -10.856) 14.409 8.121 ( 6.341 3.661 15.776) 17.392 8.622 ( -4.188 -2.418 4.506) 6.610 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 4.154 2.398 -7.435) 8.848 3.332 ( 2.864 1.654 2.431) 4.105 4.832 ( 0.693 0.400 -14.019) 14.042 5.186 ( 1.275 0.736 2.254) 2.692 5.935 ( 0.841 0.486 5.009) 5.103 6.454 ( -1.135 -0.656 2.796) 3.088 6.636 ( 4.532 2.617 -2.892) 5.979 6.731 ( 2.370 1.368 -2.848) 3.950 7.062 ( -3.165 -1.827 -13.528) 14.013 7.437 ( -3.540 -2.044 -1.688) 4.423 8.330 ( -4.573 -2.640 22.571) 23.180 8.645 ( 12.034 6.948 1.619) 13.990 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 1.071 0.618 -6.675) 6.789 3.334 ( -3.533 -2.040 2.467) 4.768 4.773 ( -0.848 -0.489 -12.629) 12.667 5.201 ( -0.995 -0.574 2.393) 2.655 6.020 ( 4.194 2.421 4.527) 6.629 6.431 ( -1.599 -0.923 1.998) 2.720 6.658 ( -2.014 -1.163 -6.145) 6.570 6.754 ( 0.492 0.284 -2.025) 2.103 6.987 ( 2.506 1.447 -11.095) 11.466 7.411 ( -0.664 -0.383 3.101) 3.194 8.136 ( -13.215 -7.630 10.232) 18.372 9.076 ( 19.111 11.033 11.515) 24.891 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( -4.503 -2.600 -6.366) 8.220 3.180 ( -10.772 -6.219 2.148) 12.622 4.701 ( -2.675 -1.544 -9.052) 9.565 5.155 ( -3.295 -1.902 0.479) 3.835 6.104 ( -0.209 -0.121 4.546) 4.553 6.397 ( -1.716 -0.991 1.042) 2.239 6.557 ( -3.312 -1.912 -5.983) 7.101 6.741 ( -1.221 -0.705 -0.743) 1.593 7.071 ( 7.164 4.136 -6.984) 10.827 7.373 ( -4.073 -2.351 0.954) 4.799 7.908 ( -6.781 -3.915 4.449) 9.006 9.545 ( 17.373 10.030 12.135) 23.445 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -0.000 11.035 17.425) 20.625 1.309 ( -0.000 18.618 22.088) 28.888 1.975 ( -0.000 19.856 25.234) 32.109 4.777 ( 0.000 0.701 -3.968) 4.029 4.870 ( 0.000 8.631 -2.809) 9.076 6.127 ( 0.000 -0.472 -2.651) 2.693 6.282 ( 0.000 7.877 -2.578) 8.288 6.667 ( -0.000 -1.100 4.358) 4.495 6.736 ( -0.000 3.134 5.130) 6.011 7.774 ( 0.000 -2.251 -19.051) 19.183 9.454 ( -0.000 -6.068 9.919) 11.628 10.600 ( 0.000 -9.957 -2.809) 10.345 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 15.982 13.451 13.261) 24.742 1.607 ( 5.549 13.309 21.525) 25.908 2.385 ( 12.432 28.087 9.689) 32.207 4.804 ( 3.013 1.468 -3.839) 5.096 5.018 ( 6.296 11.562 -0.047) 13.165 6.196 ( 6.581 0.357 -2.516) 7.054 6.392 ( 5.523 6.284 -2.055) 8.614 6.676 ( -0.139 -1.699 4.388) 4.707 6.811 ( 3.562 3.161 3.781) 6.081 7.671 ( -1.078 -2.716 -17.418) 17.661 9.342 ( -6.627 -12.847 10.647) 17.953 10.338 ( -15.749 -9.251 -6.723) 19.463 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 8.918 8.962 11.948) 17.396 1.973 ( 14.766 16.189 9.890) 24.040 3.004 ( 23.271 27.545 0.325) 36.061 4.872 ( 3.705 3.045 -3.656) 6.030 5.302 ( 11.540 11.610 3.849) 16.816 6.295 ( 4.502 2.013 -1.815) 5.255 6.543 ( 6.742 1.291 -2.503) 7.307 6.651 ( -2.330 -1.657 4.715) 5.514 6.945 ( 6.588 3.322 0.798) 7.421 7.567 ( -0.817 -2.273 -14.518) 14.718 9.068 ( -11.325 -17.338 13.081) 24.495 9.868 ( -23.961 -7.727 -12.234) 27.991 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 8.653 7.282 2.839) 11.660 2.431 ( 14.343 17.786 4.974) 23.384 3.678 ( 25.797 21.187 -2.811) 33.500 4.961 ( 3.654 4.481 -3.227) 6.622 5.639 ( 12.101 9.579 5.785) 16.482 6.384 ( 4.126 2.092 -1.196) 4.778 6.580 ( -1.554 -1.856 1.751) 2.987 6.630 ( -0.199 0.406 -0.534) 0.699 7.071 ( 4.673 1.450 -3.270) 5.884 7.508 ( 1.589 -0.842 -10.243) 10.400 8.758 ( -10.393 -16.090 17.052) 25.645 9.299 ( -26.080 -7.012 -16.508) 31.652 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 8.749 5.982 -4.159) 11.385 2.841 ( 11.139 16.810 2.991) 20.386 4.251 ( 21.281 13.135 -4.608) 25.429 5.060 ( 2.944 5.959 -2.487) 7.096 5.913 ( 7.488 5.620 5.014) 10.621 6.458 ( 3.151 -1.098 -0.452) 3.367 6.538 ( -2.750 0.592 2.729) 3.919 6.611 ( -1.931 3.161 -3.600) 5.165 7.105 ( 1.214 0.055 -5.803) 5.929 7.549 ( 6.249 1.464 -5.046) 8.164 8.476 ( -16.224 -11.494 8.887) 21.778 8.811 ( -12.574 -6.567 -5.805) 15.328 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 7.377 4.352 -7.306) 11.258 3.164 ( 6.784 14.608 2.683) 16.328 4.613 ( 12.434 4.844 -7.343) 15.231 5.163 ( 1.599 8.207 -1.663) 8.526 6.010 ( -1.647 0.523 3.845) 4.215 6.472 ( 2.685 -0.696 -1.673) 3.240 6.521 ( -2.233 2.150 1.764) 3.567 6.650 ( 1.497 6.002 -2.492) 6.669 7.106 ( 0.830 1.157 -5.715) 5.890 7.655 ( 0.904 0.822 -6.593) 6.706 8.127 ( -6.785 -4.036 3.069) 8.470 8.663 ( -2.490 -7.306 9.811) 12.483 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( 5.471 3.004 -7.769) 9.966 3.378 ( 1.223 12.030 3.060) 12.473 4.738 ( 4.111 -0.257 -10.158) 10.961 5.252 ( -1.264 9.002 -0.899) 9.135 5.971 ( -2.348 0.405 3.882) 4.555 6.502 ( -2.341 1.371 2.158) 3.467 6.559 ( 5.733 2.185 -2.690) 6.699 6.723 ( 0.942 5.189 -1.901) 5.606 7.079 ( -3.569 1.508 -10.497) 11.189 7.497 ( -7.370 -1.632 -5.102) 9.110 8.308 ( 15.199 1.009 17.778) 23.412 8.571 ( -2.599 -6.187 4.978) 8.355 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 3.088 1.685 -7.242) 8.051 3.463 ( -5.380 9.400 3.333) 11.332 4.717 ( 0.278 -1.498 -11.027) 11.131 5.284 ( -4.001 6.498 0.628) 7.656 6.007 ( 2.588 3.294 3.455) 5.430 6.464 ( -2.777 -1.042 0.422) 2.996 6.662 ( 2.824 2.877 -3.313) 5.218 6.764 ( -0.870 4.085 -0.986) 4.291 6.966 ( -3.905 3.134 -13.081) 14.006 7.428 ( -0.825 -0.455 2.465) 2.639 8.303 ( -11.006 -11.081 13.588) 20.701 8.823 ( 22.874 4.863 7.901) 24.684 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( -1.220 -0.623 -6.758) 6.895 3.395 ( -12.880 5.768 2.985) 14.424 4.663 ( -0.113 -2.335 -9.059) 9.356 5.248 ( -5.981 3.373 0.465) 6.882 6.118 ( 2.880 4.576 2.355) 5.897 6.396 ( -1.923 -3.632 -0.678) 4.165 6.656 ( -5.763 5.951 -3.578) 9.024 6.778 ( -1.694 3.401 -1.042) 3.939 6.971 ( 4.476 3.373 -8.472) 10.158 7.409 ( -2.147 -2.637 2.598) 4.279 8.027 ( -11.289 -8.805 7.160) 16.007 9.300 ( 22.964 2.977 9.499) 25.028 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -0.000 19.837 11.869) 23.117 1.765 ( -0.000 9.357 23.534) 25.326 2.626 ( -0.000 34.029 2.267) 34.105 4.775 ( 0.000 1.856 -3.419) 3.891 5.102 ( -0.000 15.060 0.936) 15.090 6.127 ( 0.000 2.032 -1.240) 2.380 6.417 ( -0.000 5.844 0.990) 5.927 6.672 ( -0.000 -1.109 3.121) 3.312 6.825 ( -0.000 2.439 3.971) 4.660 7.587 ( 0.000 -3.196 -16.032) 16.348 9.275 ( -0.000 -19.655 10.214) 22.150 10.361 ( 0.000 -8.431 -10.295) 13.306 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 8.111 17.155 9.971) 21.436 1.966 ( 7.005 10.365 15.789) 20.144 3.041 ( 8.400 34.018 -3.294) 35.194 4.821 ( 3.723 2.814 -2.934) 5.513 5.310 ( 4.767 16.137 3.284) 17.144 6.214 ( 6.193 2.671 -0.455) 6.760 6.481 ( 1.598 2.947 0.667) 3.418 6.676 ( -0.061 -1.197 3.856) 4.038 6.890 ( 3.382 2.890 1.483) 4.689 7.498 ( -0.251 -2.838 -13.448) 13.747 9.041 ( -4.917 -24.645 10.657) 27.297 10.105 ( -15.148 -6.557 -13.688) 21.443 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 3.904 7.299 5.648) 10.021 2.398 ( 14.941 20.162 6.898) 26.026 3.544 ( 15.286 27.337 -4.423) 31.631 4.924 ( 4.857 4.532 -2.569) 7.123 5.591 ( 8.048 14.090 4.078) 16.731 6.342 ( 4.387 2.760 1.831) 5.497 6.533 ( 3.071 0.195 -3.056) 4.337 6.669 ( -1.677 0.081 4.234) 4.555 6.990 ( 4.732 1.590 -1.908) 5.344 7.435 ( 0.954 -1.704 -9.828) 10.020 8.744 ( -4.899 -24.084 13.441) 28.013 9.639 ( -24.843 -5.075 -16.304) 30.146 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 5.803 6.061 -1.649) 8.551 2.858 ( 11.605 21.108 4.031) 24.423 4.046 ( 17.393 17.865 -3.909) 25.238 5.054 ( 4.572 6.704 -2.203) 8.409 5.866 ( 7.562 9.915 2.507) 12.719 6.420 ( 1.514 0.479 2.848) 3.261 6.567 ( 1.743 0.621 -2.180) 2.859 6.660 ( -1.976 3.360 0.260) 3.907 7.046 ( 2.754 -0.586 -4.971) 5.713 7.444 ( 4.446 0.505 -5.263) 6.908 8.529 ( -1.963 -19.031 17.221) 25.741 9.070 ( -26.775 -4.199 -16.668) 31.818 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 6.453 4.839 -5.510) 9.768 3.239 ( 7.044 20.327 3.100) 21.735 4.434 ( 13.038 8.871 -4.412) 16.375 5.201 ( 3.989 9.536 -2.079) 10.544 6.039 ( 2.285 5.037 1.144) 5.649 6.424 ( 0.495 -1.971 -0.715) 2.154 6.592 ( -1.189 3.056 1.704) 3.695 6.688 ( 0.364 6.383 -2.175) 6.753 7.067 ( 2.655 0.202 -4.673) 5.378 7.561 ( 7.950 2.431 -2.271) 8.618 8.308 ( -15.093 -9.548 4.202) 18.347 8.652 ( -6.551 -8.343 0.804) 10.638 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 5.789 3.792 -6.620) 9.577 3.525 ( 1.980 18.694 3.648) 19.150 4.632 ( 5.824 2.684 -5.900) 8.714 5.355 ( 1.694 12.107 -2.793) 12.540 6.048 ( -4.111 1.589 1.303) 4.596 6.454 ( 5.281 -0.311 -1.834) 5.599 6.589 ( -3.643 3.378 0.712) 5.018 6.768 ( 1.145 7.020 -1.079) 7.194 7.104 ( 1.117 2.795 -4.832) 5.693 7.612 ( -6.733 0.689 -7.032) 9.760 8.117 ( 6.465 -2.428 7.699) 10.342 8.549 ( -0.613 -11.041 9.281) 14.437 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 4.178 2.946 -6.521) 8.286 3.701 ( -4.178 16.906 4.573) 18.005 4.667 ( 0.467 -0.425 -7.427) 7.454 5.449 ( -4.125 11.733 -2.574) 12.701 6.021 ( -0.167 2.413 1.652) 2.929 6.517 ( -3.947 -0.384 -0.535) 4.002 6.572 ( 5.994 0.667 -3.162) 6.810 6.844 ( -0.459 7.416 -0.763) 7.470 7.089 ( -6.297 7.278 -7.560) 12.238 7.463 ( -4.482 -0.650 -0.858) 4.609 8.343 ( 3.672 -12.526 18.361) 22.529 8.499 ( 13.373 -1.378 0.434) 13.451 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 1.075 1.630 -6.289) 6.585 3.734 ( -12.355 13.762 4.478) 19.029 4.616 ( -0.821 -2.049 -7.323) 7.648 5.425 ( -8.394 7.480 -1.079) 11.295 6.110 ( 4.350 5.701 0.301) 7.177 6.414 ( -4.433 -2.317 -1.091) 5.119 6.679 ( 5.779 0.595 -4.029) 7.069 6.890 ( -2.473 7.255 -1.291) 7.773 7.020 ( -7.703 10.355 -5.422) 13.999 7.414 ( -1.070 -3.445 1.976) 4.113 8.145 ( -10.059 -12.006 8.843) 17.987 8.899 ( 25.861 -2.848 6.003) 26.701 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -0.000 23.760 7.764) 24.996 2.032 ( -0.000 4.400 13.654) 14.345 3.305 ( 0.000 34.143 -5.813) 34.635 4.805 ( 0.000 3.363 -2.062) 3.945 5.464 ( -0.000 18.717 4.217) 19.186 6.189 ( -0.000 4.437 0.365) 4.452 6.511 ( -0.000 1.318 4.508) 4.696 6.669 ( -0.000 -0.818 1.326) 1.558 6.899 ( -0.000 3.305 1.153) 3.501 7.427 ( 0.000 -2.689 -11.027) 11.350 8.843 ( -0.000 -29.224 8.591) 30.461 10.119 ( 0.000 -6.431 -16.101) 17.338 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 0.178 5.351 5.902) 7.968 2.384 ( 12.124 22.084 6.255) 25.958 3.646 ( 4.919 29.039 -5.295) 29.925 4.877 ( 4.200 4.433 -1.387) 6.263 5.683 ( 1.953 17.818 3.696) 18.302 6.293 ( 5.324 4.646 1.583) 7.241 6.515 ( -1.058 -0.428 1.968) 2.275 6.684 ( 1.381 -0.360 2.318) 2.722 6.949 ( 1.628 2.989 -1.108) 3.580 7.372 ( 0.576 -1.978 -7.408) 7.689 8.566 ( -0.990 -28.333 8.877) 29.708 9.868 ( -14.092 -5.901 -17.721) 23.398 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 2.482 5.193 -0.191) 5.759 2.860 ( 14.385 21.527 3.952) 26.190 4.002 ( 8.862 20.933 -3.172) 22.952 5.015 ( 6.092 5.936 -1.014) 8.567 5.896 ( 3.112 13.672 0.889) 14.050 6.424 ( 1.968 1.957 5.485) 6.148 6.509 ( 2.601 0.294 -3.787) 4.603 6.717 ( 0.420 2.338 1.192) 2.657 6.985 ( 1.382 0.384 -3.561) 3.838 7.371 ( 2.930 0.391 -2.647) 3.968 8.357 ( 2.439 -22.626 12.126) 25.785 9.414 ( -23.532 -5.012 -18.090) 30.102 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 4.337 4.916 -3.348) 7.361 3.307 ( 11.070 20.978 2.360) 23.837 4.327 ( 9.904 12.381 -1.823) 15.960 5.192 ( 6.587 8.269 -0.834) 10.605 6.058 ( 2.792 8.519 -1.424) 9.077 6.413 ( -1.764 -2.494 0.095) 3.056 6.600 ( 4.130 3.501 1.121) 5.529 6.752 ( -0.246 5.037 -1.744) 5.336 6.997 ( 2.079 -0.459 -2.778) 3.500 7.465 ( 5.824 3.431 0.169) 6.762 8.277 ( 4.029 -16.817 13.695) 22.059 8.872 ( -24.871 -4.141 -15.432) 29.561 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 4.998 4.480 -4.271) 7.956 3.669 ( 6.112 20.003 2.473) 21.062 4.552 ( 6.313 5.518 -2.346) 8.707 5.398 ( 6.033 11.433 -1.561) 13.021 6.137 ( -1.645 4.764 -1.160) 5.172 6.366 ( 1.543 -2.768 -1.916) 3.704 6.694 ( -0.822 5.967 2.200) 6.412 6.808 ( 1.093 6.565 -1.723) 6.874 7.039 ( 4.954 -0.983 -1.681) 5.323 7.611 ( 5.408 3.565 -0.729) 6.518 8.159 ( -8.252 -8.700 4.285) 12.734 8.486 ( -6.088 -8.152 -0.527) 10.188 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 4.405 4.035 -4.390) 7.413 3.933 ( 0.740 18.624 3.890) 19.040 4.635 ( 1.154 0.829 -3.802) 4.059 5.596 ( 2.086 14.198 -2.943) 14.649 6.093 ( -5.298 2.528 -0.182) 5.873 6.420 ( 7.086 -2.085 -1.588) 7.555 6.660 ( -8.769 4.134 -0.874) 9.734 6.904 ( 1.733 7.203 -1.064) 7.484 7.140 ( 5.946 1.924 -1.145) 6.353 7.596 ( -9.384 2.272 -4.598) 10.694 8.094 ( 10.141 -6.865 8.886) 15.131 8.383 ( 0.504 -9.581 3.974) 10.385 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 2.452 3.291 -4.654) 6.205 4.079 ( -6.888 16.133 4.952) 18.228 4.597 ( -1.844 -2.340 -5.043) 5.858 5.670 ( -8.733 11.924 -2.546) 14.997 6.094 ( 2.935 4.830 -0.230) 5.657 6.505 ( -3.427 -0.316 -0.829) 3.540 6.536 ( 2.552 -1.189 -2.608) 3.838 6.979 ( -0.923 7.581 -3.756) 8.511 7.239 ( -0.019 7.085 0.445) 7.099 7.435 ( -8.093 -0.267 -0.993) 8.158 8.161 ( -0.986 -13.978 9.784) 17.091 8.455 ( 19.197 -4.994 1.495) 19.893 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -0.000 3.457 3.311) 4.787 2.521 ( -0.000 23.257 4.177) 23.629 3.866 ( 0.000 25.229 -3.902) 25.529 4.883 ( -0.000 5.333 -0.340) 5.344 5.866 ( -0.000 17.435 2.737) 17.649 6.300 ( -0.000 5.642 1.614) 5.868 6.535 ( -0.000 -2.265 5.194) 5.667 6.658 ( 0.000 -0.531 -0.747) 0.917 6.970 ( 0.000 3.269 -1.988) 3.826 7.327 ( 0.000 -1.627 -2.758) 3.202 8.320 ( -0.000 -25.833 6.017) 26.525 9.858 ( 0.000 -6.966 -19.141) 20.369 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 0.627 4.126 0.021) 4.173 2.855 ( 10.682 20.896 2.507) 23.602 4.102 ( 2.738 18.954 -1.183) 19.188 4.979 ( 4.237 6.268 0.139) 7.567 6.017 ( -0.651 12.690 -0.130) 12.707 6.409 ( 4.618 5.063 2.811) 7.407 6.497 ( -2.342 -2.361 1.468) 3.635 6.686 ( 3.312 -0.308 -1.334) 3.584 6.976 ( 0.231 0.040 -2.983) 2.992 7.337 ( 1.551 1.306 3.043) 3.657 8.139 ( 2.005 -17.209 6.138) 18.380 9.602 ( -12.600 -7.274 -19.518) 24.344 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 2.212 4.759 -1.290) 5.404 3.285 ( 14.485 18.699 0.715) 23.664 4.325 ( 4.911 12.272 0.948) 13.252 5.146 ( 7.020 7.321 0.495) 10.155 6.102 ( 0.350 6.457 -2.683) 7.001 6.431 ( -2.764 -1.675 -0.192) 3.238 6.558 ( 5.443 4.157 3.230) 7.573 6.723 ( 3.301 -1.477 -4.331) 5.642 6.994 ( 1.428 2.361 -0.313) 2.777 7.423 ( 3.805 2.892 5.301) 7.137 8.090 ( 3.957 -9.175 7.204) 12.318 9.166 ( -20.715 -6.824 -18.033) 28.300 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 3.472 4.973 -1.203) 6.183 3.702 ( 12.415 17.263 -0.336) 21.266 4.511 ( 4.995 6.262 1.195) 8.099 5.369 ( 8.779 9.456 0.745) 12.925 6.153 ( 2.560 1.536 -2.561) 3.934 6.364 ( -3.649 -0.137 -1.653) 4.008 6.704 ( 5.794 3.071 3.950) 7.655 6.779 ( 5.982 0.342 -2.120) 6.356 7.033 ( -2.214 5.115 -0.777) 5.627 7.553 ( 5.942 2.118 4.214) 7.587 8.104 ( 2.183 -6.078 5.727) 8.632 8.670 ( -20.785 -5.847 -12.924) 25.165 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 3.731 4.828 -1.113) 6.202 4.044 ( 7.912 15.885 0.458) 17.752 4.612 ( 1.862 1.155 -0.118) 2.194 5.631 ( 8.213 12.544 -0.216) 14.994 6.200 ( 0.419 1.152 -0.771) 1.448 6.301 ( -0.713 -1.372 -1.084) 1.888 6.855 ( 2.202 6.667 2.400) 7.420 6.893 ( 5.735 2.103 -1.250) 6.235 7.008 ( -1.405 0.535 -0.378) 1.551 7.670 ( 3.034 1.451 0.605) 3.417 8.029 ( -4.973 -5.648 0.988) 7.590 8.337 ( -6.385 -5.605 -1.778) 8.680 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 2.772 4.280 -1.743) 5.389 4.290 ( 2.202 14.152 2.422) 14.525 4.590 ( -2.312 -3.656 -2.057) 4.790 5.873 ( 2.324 14.820 -1.452) 15.071 6.145 ( -5.421 2.578 0.009) 6.003 6.345 ( 7.438 -4.175 -1.161) 8.608 6.761 ( -14.901 6.507 0.269) 16.262 7.036 ( 2.233 7.199 -1.941) 7.783 7.099 ( 12.446 -6.835 -0.009) 14.200 7.643 ( -7.778 4.247 -0.941) 8.911 7.972 ( 5.961 -9.101 4.384) 11.730 8.251 ( 1.610 -5.501 0.664) 5.771 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -0.000 4.103 0.020) 4.103 2.961 ( -0.000 18.425 0.968) 18.450 4.248 ( -0.000 14.085 1.694) 14.186 5.009 ( -0.000 7.025 0.529) 7.045 6.126 ( 0.000 6.792 -1.778) 7.020 6.427 ( -0.000 5.359 2.497) 5.912 6.511 ( -0.000 -1.934 1.531) 2.467 6.635 ( 0.000 -0.545 -2.541) 2.599 6.922 ( 0.000 -7.307 -0.635) 7.335 7.373 ( -0.000 4.227 5.873) 7.236 8.032 ( -0.000 -3.380 3.100) 4.587 9.554 ( 0.000 -9.153 -20.325) 22.291 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 0.838 4.788 0.833) 4.932 3.225 ( 10.601 15.118 -0.516) 18.472 4.387 ( 1.631 8.880 3.943) 9.853 5.120 ( 4.278 7.187 0.569) 8.384 6.136 ( -1.093 0.317 -3.461) 3.644 6.472 ( -2.463 1.030 -1.406) 3.018 6.532 ( 4.016 4.393 4.829) 7.665 6.634 ( 1.671 -2.628 -4.300) 5.309 6.908 ( 6.658 -5.733 4.311) 9.787 7.435 ( 0.607 2.524 4.617) 5.297 8.075 ( -0.446 8.471 2.933) 8.975 9.287 ( -10.712 -10.079 -19.660) 24.553 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 1.912 5.244 2.071) 5.953 3.594 ( 15.732 12.657 -2.298) 20.322 4.509 ( 2.833 4.512 4.550) 7.006 5.305 ( 8.414 7.378 1.429) 11.281 6.101 ( 0.743 -2.616 -3.494) 4.428 6.442 ( -3.269 3.384 -0.679) 4.754 6.613 ( 2.949 -4.466 0.122) 5.353 6.694 ( 6.665 3.968 3.823) 8.647 7.035 ( 7.944 0.644 1.207) 8.061 7.482 ( 2.721 -1.411 4.492) 5.438 8.162 ( -3.804 12.449 1.624) 13.118 8.872 ( -16.794 -10.027 -16.554) 25.625 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 2.547 5.154 2.538) 6.285 3.973 ( 14.965 10.980 -3.223) 18.839 4.594 ( 1.845 0.477 3.586) 4.061 5.567 ( 11.756 8.444 2.263) 14.650 6.101 ( 3.739 -3.261 -1.499) 5.183 6.409 ( -5.291 4.365 0.415) 6.871 6.653 ( 8.014 -6.466 0.778) 10.327 6.871 ( 6.588 4.705 4.386) 9.208 7.145 ( -0.575 6.383 -1.962) 6.703 7.548 ( 7.325 -5.493 4.195) 10.071 8.161 ( -10.459 9.621 -3.226) 14.573 8.451 ( -13.405 -7.878 -8.270) 17.611 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -0.000 5.091 3.151) 5.987 3.255 ( 0.000 11.083 -1.218) 11.150 4.462 ( -0.000 4.769 6.499) 8.061 5.151 ( -0.000 6.494 -0.412) 6.507 6.113 ( 0.000 -3.394 -4.386) 5.546 6.518 ( 0.000 3.134 -2.051) 3.745 6.535 ( -0.000 2.777 1.857) 3.340 6.606 ( 0.000 0.436 -2.170) 2.214 6.776 ( -0.000 -9.400 11.392) 14.769 7.462 ( -0.000 1.772 0.325) 1.802 8.242 ( -0.000 18.909 2.741) 19.107 9.192 ( 0.000 -12.276 -20.229) 23.662 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 0.740 5.244 5.028) 7.302 3.442 ( 11.179 7.711 -2.407) 13.792 4.530 ( 1.136 1.891 7.512) 7.829 5.250 ( 5.074 5.043 -0.377) 7.164 6.060 ( -0.363 -2.316 -4.110) 4.731 6.526 ( -1.685 3.844 0.420) 4.218 6.545 ( -0.224 -3.229 -1.690) 3.652 6.654 ( 4.116 3.818 5.552) 7.896 6.843 ( 10.162 -5.139 7.519) 13.645 7.472 ( -0.151 0.734 -1.130) 1.357 8.421 ( -4.013 20.292 1.963) 20.778 8.914 ( -8.806 -12.467 -19.220) 24.543 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 1.366 4.797 5.600) 7.499 3.750 ( 17.383 5.210 -4.172) 18.620 4.587 ( 1.141 -0.300 6.797) 6.899 5.428 ( 10.719 2.899 1.415) 11.194 6.041 ( 0.965 0.460 -2.172) 2.421 6.511 ( 1.884 -5.337 0.827) 5.719 6.541 ( -3.123 5.408 2.438) 6.703 6.810 ( 6.743 3.359 5.383) 9.259 7.034 ( 13.198 -1.721 2.210) 13.492 7.462 ( -0.258 -1.517 -0.466) 1.608 8.494 ( -6.660 5.724 0.275) 8.787 8.538 ( -16.039 0.936 -15.882) 22.591 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -0.000 4.835 7.026) 8.529 3.386 ( 0.000 3.467 -2.248) 4.132 4.563 ( -0.000 0.460 9.468) 9.479 5.238 ( 0.000 2.716 -2.122) 3.447 6.036 ( 0.000 0.210 -4.164) 4.169 6.519 ( 0.000 -1.958 -2.743) 3.370 6.576 ( -0.000 1.162 2.143) 2.437 6.666 ( -0.000 3.116 2.719) 4.135 6.742 ( -0.000 -2.316 13.534) 13.731 7.475 ( 0.000 0.966 -3.328) 3.466 8.616 ( 0.000 2.010 -0.398) 2.049 8.843 ( 0.000 5.180 -17.953) 18.685 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 0.411 3.667 7.441) 8.306 3.499 ( 11.670 0.034 -3.160) 12.091 4.603 ( 0.125 -0.155 9.421) 9.423 5.295 ( 5.873 0.040 -1.280) 6.011 6.041 ( 0.495 3.217 -2.898) 4.358 6.464 ( -1.303 -3.834 0.495) 4.079 6.624 ( 1.685 2.833 3.466) 4.783 6.752 ( 5.330 2.157 1.715) 6.000 6.835 ( 6.269 -0.384 10.099) 11.893 7.462 ( -0.725 -0.090 -3.406) 3.483 8.436 ( -4.069 -17.536 -10.322) 20.751 8.909 ( -8.406 23.169 -7.568) 25.782 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( -0.000 1.652 7.833) 8.005 3.362 ( 0.000 -4.159 -2.554) 4.881 4.644 ( -0.000 0.250 10.673) 10.676 5.227 ( 0.000 -1.796 -2.292) 2.912 6.063 ( 0.000 4.512 -3.409) 5.655 6.455 ( 0.000 -2.369 -2.282) 3.289 6.580 ( -0.000 -3.500 7.506) 8.282 6.730 ( -0.000 1.235 2.283) 2.596 6.875 ( -0.000 5.671 9.507) 11.070 7.451 ( 0.000 -0.909 -3.980) 4.082 8.247 ( 0.000 -18.543 -9.831) 20.988 9.188 ( 0.000 23.240 -8.679) 24.808 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.000 -0.000 18.472) 18.472 1.069 ( -0.000 -0.000 18.472) 18.472 1.944 ( -0.000 -0.000 36.454) 36.454 4.759 ( 0.000 0.000 -4.210) 4.210 4.759 ( 0.000 0.000 -4.210) 4.210 6.144 ( 0.000 -0.000 -2.581) 2.581 6.144 ( 0.000 0.000 -2.581) 2.581 6.703 ( -0.000 -0.000 4.649) 4.649 6.703 ( -0.000 -0.000 4.649) 4.649 7.725 ( 0.000 0.000 -19.323) 19.323 9.535 ( -0.000 -0.000 9.568) 9.568 10.731 ( 0.000 0.000 -0.573) 0.573 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 12.870 7.431 13.742) 20.241 1.346 ( 17.311 9.995 18.727) 27.391 2.139 ( 7.781 4.492 24.804) 26.381 4.768 ( 1.746 1.008 -4.310) 4.758 4.839 ( 8.391 4.844 -2.149) 9.924 6.186 ( 2.642 1.525 -2.760) 4.114 6.232 ( 9.317 5.379 -3.261) 11.241 6.720 ( -0.722 -0.417 4.128) 4.211 6.762 ( 3.882 2.241 4.044) 6.037 7.639 ( -1.304 -0.753 -18.088) 18.150 9.519 ( -5.044 -2.912 8.795) 10.548 10.537 ( -15.764 -9.101 -1.382) 18.255 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 17.096 9.871 8.376) 21.445 1.755 ( 9.572 5.526 20.253) 23.072 2.572 ( 25.801 14.896 4.851) 30.185 4.809 ( 3.162 1.825 -4.219) 5.579 5.110 ( 14.405 8.317 2.179) 16.775 6.245 ( 3.374 1.948 -3.063) 4.956 6.465 ( 10.072 5.815 -2.794) 11.961 6.697 ( -2.356 -1.360 3.237) 4.228 6.885 ( 5.487 3.168 2.408) 6.778 7.542 ( -1.477 -0.853 -15.625) 15.718 9.352 ( -12.286 -7.093 10.358) 17.566 10.058 ( -23.446 -13.537 -5.741) 27.675 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 6.777 3.912 10.114) 12.787 2.158 ( 18.209 10.513 4.340) 21.470 3.267 ( 31.620 18.256 -1.559) 36.545 4.879 ( 4.174 2.410 -3.888) 6.192 5.476 ( 15.320 8.845 5.354) 18.482 6.321 ( 4.274 2.467 -3.271) 5.920 6.613 ( 2.924 1.688 -0.952) 3.509 6.641 ( -3.286 -1.897 2.704) 4.659 7.017 ( 5.124 2.958 -1.600) 6.129 7.473 ( 0.225 0.130 -12.076) 12.078 9.067 ( -15.292 -8.829 14.001) 22.535 9.461 ( -24.825 -14.333 -10.857) 30.653 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 7.936 4.582 0.115) 9.165 2.578 ( 16.982 9.805 2.226) 19.735 3.943 ( 26.904 15.533 -3.866) 31.305 4.967 ( 4.413 2.548 -3.223) 6.029 5.815 ( 11.550 6.668 5.900) 14.583 6.417 ( 5.016 2.896 -3.245) 6.639 6.577 ( -2.872 -1.658 2.851) 4.373 6.601 ( -3.343 -1.930 -0.357) 3.877 7.077 ( 1.303 0.752 -5.568) 5.768 7.484 ( 4.281 2.472 -7.697) 9.147 8.712 ( -21.208 -12.244 -1.634) 24.543 8.963 ( -12.739 -7.355 6.398) 16.041 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 7.699 4.445 -5.632) 10.524 2.943 ( 13.782 7.957 1.888) 16.026 4.436 ( 17.097 9.871 -7.095) 20.978 5.055 ( 4.098 2.366 -1.845) 5.079 6.014 ( 3.108 1.794 5.269) 6.375 6.501 ( -3.203 -1.849 -1.379) 3.947 6.508 ( 1.659 0.958 -0.292) 1.937 6.550 ( 1.655 0.955 0.451) 1.963 7.071 ( 0.588 0.340 -6.045) 6.083 7.596 ( 5.319 3.071 -5.987) 8.576 8.222 ( -14.203 -8.200 -7.634) 18.090 8.832 ( -5.912 -3.413 18.038) 19.286 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 6.311 3.643 -7.768) 10.651 3.214 ( 8.859 5.115 2.295) 10.484 4.667 ( 6.208 3.584 -11.131) 13.239 5.141 ( 3.544 2.046 0.428) 4.115 6.007 ( -3.246 -1.874 5.043) 6.283 6.503 ( -1.093 -0.631 3.292) 3.525 6.508 ( 3.831 2.212 -1.717) 4.745 6.632 ( 4.062 2.345 -3.025) 5.581 7.040 ( -1.991 -1.149 -9.984) 10.245 7.525 ( -6.215 -3.588 -7.049) 10.059 8.237 ( 13.662 7.888 5.418) 16.680 8.744 ( -8.232 -4.753 16.891) 19.382 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 4.489 2.592 -8.001) 9.534 3.360 ( 2.904 1.677 2.561) 4.220 4.684 ( 0.393 0.227 -12.501) 12.509 5.212 ( 1.838 1.061 2.394) 3.200 5.988 ( 0.685 0.396 4.605) 4.672 6.486 ( -1.483 -0.856 3.048) 3.496 6.603 ( 3.590 2.073 -2.853) 5.032 6.698 ( 2.609 1.506 -3.063) 4.297 6.901 ( -3.773 -2.178 -15.072) 15.689 7.443 ( -0.590 -0.341 2.166) 2.271 8.552 ( -13.448 -7.764 14.995) 21.587 8.681 ( 20.552 11.866 7.444) 24.872 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -0.000 8.968 15.167) 17.620 1.525 ( -0.000 23.197 16.875) 28.686 2.235 ( -0.000 6.998 21.769) 22.866 4.734 ( 0.000 0.889 -3.758) 3.862 4.840 ( 0.000 10.226 -2.377) 10.499 6.104 ( 0.000 -0.209 -1.393) 1.408 6.254 ( 0.000 8.876 -2.353) 9.183 6.712 ( -0.000 -1.477 3.877) 4.148 6.787 ( -0.000 3.354 4.108) 5.303 7.573 ( 0.000 -1.527 -17.162) 17.230 9.553 ( -0.000 -5.659 8.078) 9.862 10.569 ( 0.000 -13.108 -2.682) 13.379 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 14.837 11.901 11.303) 22.125 1.841 ( 3.302 14.769 20.636) 25.591 2.464 ( 9.317 18.576 4.579) 21.280 4.763 ( 2.796 1.850 -3.568) 4.896 5.022 ( 7.686 13.170 0.812) 15.270 6.173 ( 5.975 1.002 -1.681) 6.287 6.371 ( 4.663 7.666 -1.739) 9.140 6.719 ( 0.100 -1.553 3.390) 3.730 6.850 ( 2.577 2.682 3.219) 4.919 7.491 ( -0.611 -1.673 -15.000) 15.105 9.449 ( -5.800 -11.595 8.798) 15.669 10.267 ( -16.225 -13.798 -6.112) 22.158 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 8.717 7.004 10.671) 15.457 2.081 ( 8.123 13.481 10.077) 18.689 2.989 ( 23.072 25.211 -2.937) 34.300 4.832 ( 3.536 3.532 -3.423) 6.058 5.345 ( 12.834 12.274 3.736) 18.147 6.274 ( 3.940 3.423 -1.918) 5.560 6.518 ( 6.484 1.063 -1.939) 6.850 6.698 ( -2.511 -0.632 3.742) 4.551 6.950 ( 4.946 2.065 0.194) 5.363 7.420 ( 0.108 -0.947 -11.956) 11.994 9.208 ( -9.406 -15.953 12.091) 22.117 9.741 ( -25.111 -11.654 -10.448) 29.589 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 4.745 3.737 4.005) 7.247 2.476 ( 12.843 18.080 2.974) 22.376 3.642 ( 25.620 20.395 -3.546) 32.938 4.926 ( 3.666 4.978 -3.130) 6.929 5.695 ( 12.727 8.952 4.247) 16.129 6.368 ( 3.309 4.239 -1.663) 5.629 6.576 ( 2.089 -2.111 -1.460) 3.309 6.653 ( -3.801 -0.519 3.551) 5.227 7.030 ( 2.879 0.533 -4.195) 5.116 7.405 ( 3.064 0.798 -8.304) 8.887 8.930 ( -12.410 -13.786 11.259) 21.698 9.150 ( -22.519 -10.457 -7.490) 25.934 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 6.267 4.210 -2.832) 8.063 2.868 ( 10.734 17.317 1.868) 20.459 4.197 ( 20.047 12.900 -5.057) 24.369 5.032 ( 3.288 6.318 -2.554) 7.566 5.961 ( 7.960 4.315 3.601) 9.744 6.448 ( 2.365 0.823 -1.066) 2.721 6.573 ( -0.345 0.381 0.643) 0.823 6.581 ( -4.527 1.252 0.714) 4.751 7.041 ( 1.055 0.290 -5.593) 5.699 7.492 ( 7.243 3.019 -5.339) 9.491 8.445 ( -24.262 -7.377 -10.423) 27.418 8.901 ( -2.439 -11.001 18.142) 21.357 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 6.249 3.952 -6.123) 9.600 3.192 ( 6.805 15.227 2.325) 16.840 4.528 ( 10.331 5.393 -7.824) 14.037 5.145 ( 2.425 7.763 -1.592) 8.287 6.054 ( -0.997 -0.701 3.948) 4.132 6.455 ( 2.343 -0.792 -0.883) 2.627 6.549 ( -2.394 1.544 2.924) 4.082 6.622 ( 1.563 6.258 -2.613) 6.960 7.039 ( -0.687 1.435 -6.407) 6.601 7.573 ( -2.551 0.562 -7.782) 8.209 8.129 ( 1.278 0.939 -1.569) 2.230 8.833 ( -2.656 -10.623 19.334) 22.219 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 5.120 3.308 -7.156) 9.400 3.412 ( 1.105 12.762 2.988) 13.154 4.626 ( 2.198 1.144 -9.755) 10.064 5.247 ( 0.378 7.690 -0.024) 7.699 6.015 ( -1.882 -0.635 4.048) 4.509 6.525 ( -2.419 -0.112 1.968) 3.120 6.536 ( 5.387 1.672 -1.524) 5.843 6.699 ( 0.901 6.162 -2.781) 6.820 6.953 ( -7.380 2.466 -11.694) 14.047 7.467 ( -2.686 -0.271 -0.703) 2.790 8.420 ( 20.956 6.180 3.155) 22.074 8.702 ( -7.538 -12.219 17.908) 22.953 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -0.000 17.770 10.855) 20.823 2.020 ( -0.000 7.214 22.353) 23.488 2.617 ( 0.000 27.945 -3.952) 28.223 4.741 ( 0.000 2.252 -2.596) 3.436 5.117 ( -0.000 17.032 1.822) 17.129 6.121 ( -0.000 2.383 0.242) 2.395 6.423 ( -0.000 8.164 0.302) 8.169 6.703 ( -0.000 -1.774 2.541) 3.099 6.867 ( -0.000 1.709 3.609) 3.993 7.426 ( 0.000 -1.813 -13.053) 13.179 9.379 ( -0.000 -18.908 8.579) 20.764 10.245 ( 0.000 -12.895 -10.575) 16.677 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 8.788 16.803 8.345) 20.717 2.136 ( 2.393 3.840 14.287) 14.986 2.988 ( 9.021 32.899 -5.939) 34.626 4.793 ( 3.477 3.350 -2.024) 5.235 5.347 ( 5.040 17.134 3.336) 18.169 6.213 ( 5.916 3.525 0.363) 6.896 6.487 ( -0.442 4.125 0.400) 4.168 6.716 ( 1.325 -1.182 3.137) 3.605 6.907 ( 1.954 1.464 1.702) 2.976 7.367 ( 0.082 -1.160 -10.258) 10.324 9.155 ( -3.498 -24.650 10.071) 26.856 9.949 ( -15.052 -9.810 -14.396) 23.022 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 1.247 3.532 4.894) 6.163 2.464 ( 13.262 19.326 4.832) 23.932 3.496 ( 15.962 27.255 -4.030) 31.842 4.900 ( 4.486 5.154 -1.795) 7.065 5.630 ( 7.988 13.459 2.832) 15.905 6.357 ( 4.579 5.042 1.018) 6.886 6.506 ( 1.463 -0.341 -1.762) 2.315 6.718 ( -1.843 -0.694 4.407) 4.827 6.966 ( 3.040 0.454 -2.330) 3.857 7.342 ( 1.595 0.392 -6.934) 7.126 8.896 ( -2.030 -24.216 14.148) 28.120 9.457 ( -24.592 -7.038 -16.404) 30.387 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 3.636 3.925 -0.756) 5.403 2.893 ( 10.922 21.175 2.305) 23.937 4.007 ( 17.063 18.270 -3.121) 25.193 5.031 ( 4.222 7.303 -1.779) 8.622 5.887 ( 7.739 8.327 1.381) 11.451 6.442 ( -0.092 1.504 1.305) 1.993 6.544 ( 3.849 1.286 -2.042) 4.543 6.679 ( -3.875 1.223 2.763) 4.914 6.994 ( 2.104 -0.383 -4.348) 4.846 7.393 ( 5.006 2.780 -3.922) 6.941 8.700 ( -7.447 -16.978 10.227) 21.173 8.915 ( -17.985 -7.791 -7.746) 21.075 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 5.036 4.305 -3.671) 7.575 3.269 ( 7.265 20.668 2.140) 22.012 4.386 ( 11.590 9.706 -4.144) 15.675 5.177 ( 3.615 9.718 -2.065) 10.573 6.054 ( 3.276 3.549 1.576) 5.081 6.417 ( -0.332 -2.727 -0.265) 2.760 6.618 ( 0.022 2.877 2.197) 3.620 6.664 ( -0.930 6.473 -1.922) 6.816 7.023 ( 2.496 1.211 -3.124) 4.178 7.527 ( 6.492 3.894 -3.808) 8.474 8.273 ( -19.437 -3.695 -7.938) 21.318 8.762 ( 2.703 -15.462 16.200) 22.557 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 4.872 4.157 -4.884) 8.054 3.564 ( 2.427 19.272 3.240) 19.693 4.567 ( 4.073 3.915 -5.775) 8.079 5.326 ( 1.788 11.527 -2.343) 11.897 6.068 ( -3.185 0.171 2.455) 4.025 6.440 ( 5.154 -0.639 -0.545) 5.222 6.602 ( -4.610 1.879 1.397) 5.170 6.742 ( 1.161 7.788 -3.732) 8.714 7.059 ( -1.346 4.494 -3.229) 5.695 7.539 ( -5.985 1.447 -5.935) 8.552 8.164 ( 11.057 1.218 1.509) 11.226 8.692 ( -0.523 -16.087 15.635) 22.439 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -0.000 21.963 6.905) 23.022 2.164 ( -0.000 -1.219 9.521) 9.599 3.240 ( 0.000 34.668 -5.380) 35.083 4.790 ( 0.000 3.913 -0.766) 3.987 5.509 ( -0.000 19.161 3.724) 19.519 6.200 ( -0.000 4.682 1.543) 4.930 6.556 ( -0.000 3.113 3.446) 4.644 6.680 ( -0.000 -1.700 0.707) 1.842 6.917 ( -0.000 1.492 2.017) 2.509 7.324 ( 0.000 -0.530 -7.399) 7.418 8.936 ( -0.000 -30.151 8.460) 31.315 9.931 ( 0.000 -8.400 -17.892) 19.766 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -1.229 1.948 3.277) 4.006 2.446 ( 11.836 20.278 4.730) 23.951 3.599 ( 5.215 30.127 -2.953) 30.717 4.868 ( 3.898 4.958 -0.109) 6.307 5.718 ( 1.380 16.887 2.428) 17.116 6.311 ( 5.591 5.228 1.654) 7.831 6.536 ( -3.543 0.122 1.658) 3.914 6.709 ( 2.768 -1.704 1.814) 3.723 6.941 ( 0.439 1.461 -0.287) 1.553 7.310 ( 0.693 1.102 -3.678) 3.902 8.669 ( 1.137 -29.426 9.884) 31.062 9.662 ( -13.686 -6.941 -19.639) 24.923 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 1.233 3.521 -0.070) 3.731 2.894 ( 13.945 20.522 2.223) 24.911 3.978 ( 8.784 22.218 -0.967) 23.911 5.010 ( 5.638 6.494 0.022) 8.600 5.901 ( 2.606 11.968 0.023) 12.249 6.474 ( 5.277 2.867 -1.247) 6.133 6.480 ( -1.821 0.409 3.225) 3.726 6.725 ( 0.434 -0.782 -0.110) 0.901 6.955 ( 0.531 0.906 -1.578) 1.896 7.353 ( 2.508 3.886 -0.516) 4.654 8.499 ( 5.393 -24.520 13.663) 28.583 9.208 ( -22.374 -5.183 -19.196) 29.932 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 3.222 4.713 -1.228) 5.839 3.326 ( 11.381 20.331 0.882) 23.316 4.313 ( 8.848 13.586 -0.659) 16.227 5.186 ( 5.830 8.924 -0.293) 10.664 6.047 ( 3.374 7.116 -0.607) 7.899 6.409 ( -2.329 -3.546 -0.403) 4.261 6.620 ( 4.124 5.138 1.588) 6.777 6.733 ( 0.301 2.902 -1.304) 3.196 6.977 ( 1.446 1.158 -0.915) 2.066 7.465 ( 4.613 5.747 -0.012) 7.369 8.417 ( 0.774 -18.223 9.924) 20.764 8.719 ( -17.416 -5.361 -10.522) 21.042 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 3.856 5.048 -1.729) 6.584 3.692 ( 7.307 19.603 1.531) 20.977 4.528 ( 4.687 6.654 -1.933) 8.366 5.381 ( 4.847 11.941 -1.372) 12.960 6.135 ( -0.753 3.731 0.722) 3.874 6.355 ( 1.644 -3.193 -0.079) 3.593 6.717 ( -1.827 5.810 1.479) 6.268 6.783 ( 0.987 6.785 -2.490) 7.295 7.029 ( 4.816 -0.027 -0.202) 4.820 7.592 ( 2.166 4.971 -2.755) 6.082 8.159 ( -10.350 -4.178 -3.571) 11.718 8.541 ( 2.882 -15.368 9.666) 18.382 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -0.000 1.183 1.076) 1.599 2.562 ( -0.000 21.659 3.122) 21.883 3.842 ( -0.000 26.886 -0.279) 26.887 4.886 ( -0.000 5.630 0.959) 5.711 5.887 ( -0.000 15.694 1.136) 15.735 6.321 ( -0.000 5.832 2.298) 6.269 6.585 ( -0.000 -2.777 3.501) 4.469 6.646 ( 0.000 -1.428 -1.313) 1.940 6.954 ( 0.000 1.102 -0.506) 1.212 7.318 ( -0.000 3.057 1.061) 3.236 8.394 ( -0.000 -27.475 7.584) 28.503 9.633 ( 0.000 -7.258 -21.666) 22.850 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 0.166 3.569 0.389) 3.593 2.876 ( 10.554 19.503 1.216) 22.209 4.108 ( 2.478 20.702 2.113) 20.957 4.987 ( 4.082 6.381 1.258) 7.679 6.010 ( -1.070 10.863 -1.121) 10.973 6.429 ( 3.855 4.854 1.043) 6.285 6.522 ( -2.421 -2.415 2.692) 4.353 6.662 ( 2.817 -2.429 -3.051) 4.811 6.962 ( 0.631 0.562 0.517) 0.991 7.379 ( 0.859 5.365 4.516) 7.065 8.218 ( 4.044 -20.089 8.322) 22.117 9.374 ( -11.867 -6.909 -21.788) 25.754 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 1.586 5.290 1.169) 5.645 3.285 ( 14.421 17.482 -0.726) 22.674 4.346 ( 4.012 13.704 2.936) 14.578 5.157 ( 6.859 7.651 1.486) 10.382 6.075 ( 0.487 5.329 -2.239) 5.801 6.421 ( -2.658 -1.972 -0.982) 3.452 6.604 ( 4.621 4.915 4.081) 7.884 6.677 ( 3.996 -1.738 -3.762) 5.757 6.999 ( 0.812 2.898 1.279) 3.270 7.479 ( 2.151 5.583 4.838) 7.695 8.177 ( 6.130 -13.953 8.632) 17.515 8.961 ( -18.661 -5.822 -18.964) 27.235 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -0.000 4.685 1.801) 5.019 2.966 ( -0.000 17.290 -0.056) 17.290 4.287 ( -0.000 15.786 5.240) 16.633 5.019 ( -0.000 6.549 1.232) 6.664 6.101 ( 0.000 5.279 -2.725) 5.941 6.456 ( -0.000 5.525 2.763) 6.177 6.512 ( 0.000 -3.907 -1.123) 4.065 6.605 ( 0.000 -1.070 -2.879) 3.072 6.944 ( -0.000 -2.998 4.257) 5.207 7.444 ( -0.000 3.657 6.856) 7.770 8.074 ( -0.000 -5.737 4.607) 7.358 9.316 ( 0.000 -8.340 -22.703) 24.186 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 0.541 5.950 3.745) 7.051 3.214 ( 10.259 14.190 -1.540) 17.578 4.447 ( 0.826 10.178 6.669) 12.197 5.130 ( 4.766 6.629 1.182) 8.250 6.096 ( -0.920 -0.630 -3.743) 3.906 6.456 ( -2.162 1.265 -0.985) 2.692 6.573 ( 4.951 1.919 0.722) 5.359 6.599 ( 1.592 0.677 -0.498) 1.801 6.968 ( 3.989 -2.585 6.326) 7.913 7.494 ( 1.655 -0.855 6.290) 6.560 8.105 ( -0.134 6.708 2.545) 7.176 9.060 ( -9.575 -8.928 -21.189) 24.907 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( -0.000 6.353 6.077) 8.792 3.238 ( 0.000 10.583 -1.924) 10.756 4.551 ( -0.000 5.663 9.636) 11.177 5.146 ( -0.000 5.400 -0.446) 5.419 6.062 ( 0.000 -3.721 -4.871) 6.129 6.502 ( 0.000 3.760 -0.566) 3.802 6.535 ( 0.000 -0.392 -2.094) 2.130 6.603 ( -0.000 3.704 1.771) 4.106 6.913 ( -0.000 -6.151 12.711) 14.121 7.475 ( -0.000 -2.371 2.425) 3.392 8.261 ( -0.000 18.690 0.273) 18.692 8.961 ( 0.000 -11.310 -21.275) 24.095 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -0.000 -0.000 13.886) 13.886 1.247 ( -0.000 -0.000 13.886) 13.886 2.305 ( -0.000 -0.000 28.908) 28.908 4.714 ( 0.000 0.000 -3.867) 3.867 4.714 ( 0.000 0.000 -3.867) 3.867 6.120 ( 0.000 -0.000 -1.840) 1.840 6.120 ( 0.000 0.000 -1.840) 1.840 6.750 ( -0.000 -0.000 3.741) 3.741 6.750 ( -0.000 -0.000 3.741) 3.741 7.525 ( 0.000 0.000 -16.582) 16.582 9.628 ( -0.000 -0.000 7.263) 7.263 10.725 ( 0.000 0.000 -0.556) 0.556 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 11.025 6.365 9.168) 15.689 1.533 ( 19.555 11.290 15.060) 27.142 2.380 ( -0.227 -0.131 18.709) 18.711 4.722 ( 1.689 0.975 -3.796) 4.268 4.819 ( 10.123 5.844 -1.375) 11.769 6.157 ( 2.380 1.374 -2.470) 3.695 6.205 ( 8.769 5.063 -1.637) 10.257 6.758 ( -0.974 -0.562 2.854) 3.067 6.802 ( 3.561 2.056 3.262) 5.248 7.457 ( -0.819 -0.473 -14.697) 14.727 9.604 ( -4.699 -2.713 6.558) 8.511 10.522 ( -16.674 -9.627 -1.152) 19.288 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 15.584 8.997 4.410) 18.527 1.982 ( 7.646 4.414 20.727) 22.529 2.595 ( 20.904 12.069 -0.968) 24.157 4.765 ( 3.163 1.826 -3.643) 5.159 5.135 ( 16.094 9.292 2.130) 18.706 6.211 ( 3.202 1.849 -2.988) 4.754 6.439 ( 10.337 5.968 -1.788) 12.069 6.726 ( -2.506 -1.447 1.944) 3.486 6.908 ( 4.331 2.500 1.671) 5.273 7.389 ( -0.606 -0.350 -11.970) 11.991 9.452 ( -10.583 -6.110 7.566) 14.373 10.009 ( -25.778 -14.883 -2.991) 29.916 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 1.179 0.680 10.432) 10.521 2.190 ( 17.452 10.076 1.323) 20.195 3.239 ( 31.204 18.015 -3.186) 36.172 4.838 ( 4.283 2.473 -3.430) 6.019 5.527 ( 16.117 9.305 3.524) 18.941 6.285 ( 4.233 2.444 -3.178) 5.830 6.604 ( 3.687 2.128 -0.694) 4.313 6.665 ( -3.114 -1.798 1.750) 3.999 6.995 ( 2.880 1.663 -2.321) 4.055 7.356 ( 1.457 0.841 -8.844) 9.003 9.171 ( -17.542 -10.128 1.813) 20.337 9.408 ( -22.302 -12.876 4.294) 26.108 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 4.097 2.365 1.254) 4.894 2.593 ( 17.018 9.826 0.419) 19.655 3.898 ( 25.873 14.938 -4.162) 30.164 4.932 ( 4.784 2.762 -2.964) 6.270 5.867 ( 11.748 6.783 3.387) 13.982 6.382 ( 5.070 2.927 -3.076) 6.614 6.603 ( -3.412 -1.970 0.588) 3.984 6.606 ( -2.509 -1.449 2.364) 3.739 7.015 ( 0.563 0.325 -5.413) 5.451 7.407 ( 5.475 3.161 -6.338) 8.952 8.609 ( -24.511 -14.152 -11.759) 30.649 9.144 ( -8.620 -4.977 21.222) 23.440 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 5.671 3.274 -3.864) 7.604 2.960 ( 14.204 8.201 1.072) 16.437 4.357 ( 15.307 8.838 -7.094) 19.046 5.036 ( 4.970 2.869 -1.700) 5.985 6.065 ( 3.547 2.048 3.927) 5.675 6.486 ( 4.566 2.636 -2.690) 5.919 6.498 ( -3.842 -2.218 0.792) 4.507 6.573 ( -1.011 -0.584 2.845) 3.075 7.003 ( -0.110 -0.064 -6.118) 6.120 7.522 ( 3.769 2.176 -7.174) 8.391 8.137 ( -8.870 -5.121 -6.989) 12.399 9.064 ( -6.665 -3.848 22.827) 24.090 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -0.000 8.289 11.544) 14.212 1.675 ( -0.000 26.922 10.331) 28.836 2.444 ( -0.000 -3.108 15.744) 16.048 4.697 ( 0.000 1.138 -2.846) 3.065 4.819 ( 0.000 12.039 -1.451) 12.126 6.096 ( 0.000 0.285 -0.198) 0.347 6.230 ( 0.000 9.394 -2.004) 9.605 6.750 ( -0.000 -1.719 2.976) 3.437 6.825 ( -0.000 3.552 2.684) 4.452 7.405 ( 0.000 -0.943 -12.990) 13.024 9.629 ( -0.000 -5.230 5.587) 7.653 10.542 ( 0.000 -15.913 -2.214) 16.066 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 12.562 11.812 7.515) 18.809 2.051 ( 5.138 19.465 17.132) 26.434 2.484 ( 5.286 7.369 -0.908) 9.114 4.728 ( 2.402 2.283 -2.545) 4.178 5.034 ( 8.739 14.642 1.150) 17.091 6.159 ( 4.675 1.805 -0.800) 5.075 6.354 ( 4.418 8.413 -1.201) 9.578 6.749 ( -0.002 -1.357 2.126) 2.522 6.880 ( 1.917 2.557 2.197) 3.878 7.349 ( -0.291 -0.882 -10.446) 10.487 9.532 ( -4.924 -9.941 6.106) 12.663 10.207 ( -16.042 -18.443 -4.563) 24.866 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 11.067 10.338 4.426) 15.778 2.197 ( -0.240 5.745 10.485) 11.958 2.945 ( 24.260 24.873 -4.505) 35.036 4.799 ( 3.142 4.009 -2.453) 5.654 5.379 ( 13.435 12.710 2.274) 18.633 6.254 ( 3.088 4.648 -1.733) 5.843 6.501 ( 6.199 0.982 -1.097) 6.372 6.732 ( -2.487 0.726 2.278) 3.450 6.949 ( 3.106 0.915 -0.398) 3.262 7.311 ( 0.647 -0.016 -7.587) 7.614 9.321 ( -8.980 -12.635 7.375) 17.166 9.652 ( -23.238 -17.377 -4.636) 29.385 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 1.927 0.592 3.367) 3.924 2.495 ( 11.741 18.684 0.428) 22.071 3.605 ( 25.383 20.189 -2.921) 32.564 4.895 ( 3.418 5.420 -2.412) 6.847 5.729 ( 13.086 8.585 1.789) 15.753 6.349 ( 2.635 5.799 -1.767) 6.610 6.562 ( 2.834 -2.895 -1.084) 4.194 6.692 ( -4.320 0.422 3.163) 5.371 6.983 ( 1.375 -0.145 -3.949) 4.184 7.330 ( 3.565 1.824 -5.228) 6.586 8.908 ( -26.756 -10.096 -10.572) 30.489 9.231 ( -5.408 -15.714 17.359) 24.031 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 4.125 2.620 -1.339) 5.067 2.880 ( 10.895 18.059 0.355) 21.094 4.144 ( 18.459 12.761 -4.356) 22.860 5.006 ( 3.478 6.575 -2.124) 7.735 5.992 ( 8.805 3.940 2.142) 9.881 6.438 ( 2.228 2.868 -0.754) 3.709 6.550 ( -0.930 -0.370 -2.382) 2.584 6.622 ( -4.136 0.099 4.038) 5.782 6.987 ( 0.771 0.797 -3.887) 4.042 7.433 ( 6.557 3.704 -5.225) 9.166 8.323 ( -22.645 -6.421 -10.750) 25.876 9.130 ( -0.717 -12.758 22.184) 25.601 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -0.000 16.643 8.303) 18.599 2.247 ( -0.000 5.387 18.590) 19.355 2.540 ( 0.000 24.293 -9.890) 26.229 4.720 ( 0.000 2.714 -1.220) 2.976 5.139 ( -0.000 18.657 1.873) 18.751 6.131 ( -0.000 2.752 1.438) 3.105 6.424 ( -0.000 9.907 -0.089) 9.908 6.727 ( -0.000 -2.339 1.702) 2.893 6.901 ( -0.000 1.951 2.489) 3.163 7.308 ( 0.000 -0.802 -7.970) 8.010 9.461 ( -0.000 -17.122 6.260) 18.231 10.134 ( 0.000 -18.509 -9.471) 20.791 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 8.117 16.490 5.304) 19.129 2.261 ( 0.050 -2.132 7.536) 7.832 2.925 ( 9.958 34.531 -4.511) 36.220 4.778 ( 3.056 3.925 -0.636) 5.015 5.379 ( 4.919 17.751 2.191) 18.550 6.222 ( 5.104 4.153 1.115) 6.674 6.490 ( -1.615 5.027 0.236) 5.286 6.742 ( 2.400 -0.871 1.479) 2.950 6.926 ( 0.455 0.828 1.625) 1.879 7.280 ( 0.203 0.067 -5.091) 5.095 9.261 ( -1.865 -23.219 8.910) 24.939 9.794 ( -14.332 -14.651 -13.388) 24.481 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 0.118 0.884 1.980) 2.172 2.500 ( 11.721 19.087 1.743) 22.466 3.463 ( 16.274 27.824 -1.670) 32.278 4.886 ( 3.858 5.761 -0.643) 6.964 5.652 ( 7.673 13.056 1.000) 15.177 6.365 ( 4.259 6.404 0.359) 7.700 6.493 ( 0.267 -0.406 -0.565) 0.745 6.757 ( -1.184 -0.837 2.165) 2.606 6.944 ( 1.041 -0.169 -1.335) 1.702 7.289 ( 1.582 1.850 -2.545) 3.521 9.046 ( -1.212 -22.040 11.711) 24.988 9.290 ( -21.278 -11.714 -12.558) 27.344 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 2.452 2.598 -0.147) 3.576 2.907 ( 10.628 21.625 0.043) 24.096 3.981 ( 16.142 18.694 -1.383) 24.738 5.016 ( 3.577 7.807 -1.015) 8.647 5.898 ( 8.201 7.748 0.586) 11.297 6.455 ( -0.889 1.787 1.308) 2.386 6.518 ( 3.586 2.319 -2.832) 5.124 6.710 ( -3.418 -0.320 2.429) 4.205 6.957 ( 1.615 0.346 -1.984) 2.582 7.361 ( 4.261 4.066 -1.861) 6.177 8.650 ( -25.308 -7.094 -13.134) 29.382 9.002 ( 3.894 -19.879 17.396) 26.701 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -0.000 20.665 4.851) 21.227 2.226 ( -0.000 -4.619 1.383) 4.821 3.199 ( -0.000 36.184 -1.578) 36.218 4.789 ( -0.000 4.436 0.777) 4.503 5.542 ( -0.000 19.183 2.046) 19.292 6.222 ( -0.000 4.804 2.393) 5.367 6.585 ( -0.000 4.606 1.785) 4.940 6.684 ( 0.000 -2.505 -0.013) 2.505 6.941 ( -0.000 0.515 2.402) 2.456 7.271 ( 0.000 1.204 -1.899) 2.249 9.030 ( -0.000 -30.062 8.524) 31.247 9.731 ( 0.000 -11.544 -18.176) 21.532 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -1.370 0.504 -0.499) 1.543 2.485 ( 11.219 19.447 2.279) 22.567 3.585 ( 5.079 31.400 0.443) 31.811 4.874 ( 3.481 5.411 1.247) 6.554 5.735 ( 0.932 16.042 0.595) 16.080 6.330 ( 4.940 5.304 1.759) 7.459 6.551 ( -4.327 0.751 1.078) 4.522 6.715 ( 3.264 -2.718 -0.844) 4.331 6.949 ( -0.508 0.542 2.015) 2.148 7.295 ( 0.384 3.351 1.002) 3.518 8.784 ( 3.387 -29.685 11.080) 31.866 9.442 ( -12.846 -8.954 -20.034) 25.427 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 0.000 1.685 -0.896) 1.909 2.587 ( -0.000 20.378 1.486) 20.432 3.857 ( -0.000 28.531 2.833) 28.672 4.903 ( -0.000 5.710 2.145) 6.099 5.890 ( -0.000 14.300 -0.833) 14.324 6.349 ( -0.000 5.881 2.777) 6.504 6.606 ( -0.000 -3.430 0.414) 3.455 6.629 ( 0.000 -2.242 -1.851) 2.907 6.967 ( -0.000 0.302 3.022) 3.037 7.348 ( -0.000 5.822 4.208) 7.184 8.489 ( -0.000 -28.396 9.816) 30.045 9.388 ( 0.000 -8.275 -22.595) 24.063 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -0.000 -0.000 8.633) 8.633 1.372 ( -0.000 -0.000 8.633) 8.633 2.570 ( -0.000 -0.000 18.849) 18.849 4.677 ( 0.000 0.000 -2.734) 2.734 4.677 ( 0.000 0.000 -2.734) 2.734 6.104 ( 0.000 0.000 -1.083) 1.083 6.104 ( 0.000 0.000 -1.083) 1.083 6.784 ( -0.000 -0.000 2.422) 2.422 6.784 ( -0.000 -0.000 2.422) 2.422 7.369 ( 0.000 0.000 -11.400) 11.400 9.693 ( -0.000 -0.000 4.533) 4.533 10.719 ( 0.000 0.000 -0.412) 0.412 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 9.500 5.485 3.868) 11.632 1.672 ( 22.111 12.766 9.923) 27.392 2.543 ( -6.095 -3.519 10.586) 12.712 4.687 ( 1.569 0.906 -2.468) 3.062 4.809 ( 11.576 6.683 -0.583) 13.379 6.132 ( 1.951 1.126 -2.076) 3.063 6.195 ( 8.467 4.888 -0.259) 9.780 6.781 ( -1.242 -0.717 1.341) 1.964 6.832 ( 3.366 1.944 2.122) 4.429 7.325 ( -0.518 -0.299 -8.957) 8.976 9.661 ( -4.341 -2.506 3.767) 6.270 10.513 ( -17.087 -9.865 -0.538) 19.738 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 14.594 8.426 -0.124) 16.853 2.202 ( 6.760 3.903 18.841) 20.394 2.549 ( 17.862 10.313 -7.275) 21.871 4.731 ( 3.013 1.740 -2.296) 4.169 5.153 ( 16.999 9.815 0.972) 19.653 6.179 ( 2.973 1.716 -2.754) 4.401 6.426 ( 10.121 5.843 -0.646) 11.704 6.740 ( -2.522 -1.456 0.613) 2.976 6.921 ( 3.267 1.886 0.628) 3.824 7.287 ( -0.155 -0.090 -6.238) 6.241 9.511 ( -10.239 -5.912 2.817) 12.154 9.999 ( -25.392 -14.660 1.528) 29.360 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 17.348 10.016 -1.936) 20.125 2.195 ( -3.031 -1.750 6.624) 7.492 3.206 ( 31.571 18.227 -2.356) 36.531 4.807 ( 4.165 2.405 -2.293) 5.328 5.550 ( 16.475 9.512 0.655) 19.035 6.251 ( 4.205 2.428 -2.915) 5.663 6.597 ( 4.239 2.447 -0.666) 4.940 6.679 ( -2.733 -1.578 0.837) 3.265 6.968 ( 1.034 0.597 -2.485) 2.757 7.284 ( 1.786 1.031 -4.078) 4.570 9.121 ( -24.213 -13.979 -7.827) 29.034 9.539 ( -14.137 -8.162 16.252) 23.035 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -0.000 8.585 6.934) 11.036 1.750 ( -0.000 28.487 3.263) 28.673 2.574 ( -0.000 -9.065 7.714) 11.903 4.674 ( 0.000 1.394 -1.296) 1.903 4.808 ( -0.000 13.542 -0.561) 13.553 6.099 ( -0.000 0.927 0.792) 1.220 6.211 ( 0.000 9.599 -1.508) 9.717 6.776 ( -0.000 -1.786 1.727) 2.485 6.845 ( -0.000 3.694 1.061) 3.843 7.296 ( 0.000 -0.603 -6.536) 6.564 9.674 ( -0.000 -4.880 2.618) 5.538 10.522 ( 0.000 -18.095 -1.405) 18.150 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 9.518 12.871 2.631) 16.222 2.200 ( 13.023 28.735 8.565) 32.691 2.455 ( -1.929 -6.260 -2.989) 7.200 4.709 ( 1.913 2.681 -0.924) 3.421 5.044 ( 9.150 15.594 0.547) 18.088 6.154 ( 2.920 2.822 -0.207) 4.066 6.345 ( 4.685 8.576 -0.438) 9.782 6.765 ( -0.360 -1.132 0.725) 1.391 6.897 ( 1.602 2.595 0.809) 3.155 7.269 ( -0.186 -0.456 -3.812) 3.844 9.579 ( -4.491 -8.394 2.258) 9.784 10.171 ( -14.760 -22.265 -1.758) 26.771 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 10.919 13.535 -1.076) 17.423 2.283 ( -3.834 -0.767 3.717) 5.395 2.907 ( 25.768 26.267 -1.440) 36.824 4.780 ( 2.565 4.384 -0.977) 5.172 5.391 ( 13.361 12.996 -0.040) 18.639 6.236 ( 2.062 5.721 -1.519) 6.268 6.493 ( 5.876 0.951 -0.440) 5.969 6.747 ( -2.233 1.705 0.486) 2.851 6.941 ( 1.480 0.307 -1.051) 1.841 7.260 ( 0.589 0.390 -1.492) 1.651 9.339 ( -15.303 -10.708 -4.145) 19.132 9.670 ( -13.472 -21.157 7.960) 26.315 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -0.000 16.372 4.567) 16.997 2.378 ( 0.000 -6.518 -8.256) 10.519 2.447 ( -0.000 33.882 6.549) 34.509 4.716 ( -0.000 3.150 0.529) 3.194 5.154 ( -0.000 19.606 0.732) 19.619 6.152 ( -0.000 3.111 2.267) 3.849 6.423 ( -0.000 11.046 -0.025) 11.046 6.740 ( -0.000 -2.730 0.632) 2.802 6.920 ( -0.000 2.734 0.888) 2.875 7.258 ( 0.000 -0.242 -1.007) 1.036 9.511 ( -0.000 -14.214 2.534) 14.438 10.044 ( 0.000 -24.698 -6.466) 25.530 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -0.000 -0.000 2.931) 2.931 1.435 ( -0.000 -0.000 2.931) 2.931 2.711 ( -0.000 -0.000 6.587) 6.587 4.656 ( 0.000 0.000 -0.988) 0.988 4.656 ( 0.000 0.000 -0.988) 0.988 6.096 ( 0.000 0.000 -0.355) 0.355 6.096 ( 0.000 0.000 -0.355) 0.355 6.802 ( -0.000 -0.000 0.838) 0.838 6.802 ( -0.000 -0.000 0.838) 0.838 7.283 ( 0.000 0.000 -4.094) 4.094 9.727 ( -0.000 -0.000 1.542) 1.542 10.716 ( 0.000 0.000 -0.153) 0.153 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 8.272 4.776 -1.661) 9.695 1.747 ( 24.086 13.906 3.676) 28.054 2.609 ( -8.907 -5.142 1.413) 10.381 4.670 ( 1.406 0.812 -0.620) 1.738 4.806 ( 12.196 7.042 -0.019) 14.083 6.112 ( 1.401 0.809 -1.539) 2.232 6.198 ( 8.367 4.830 0.783) 9.693 6.787 ( -1.454 -0.839 -0.240) 1.696 6.848 ( 3.280 1.894 0.629) 3.839 7.267 ( -0.430 -0.249 -1.371) 1.458 9.686 ( -4.145 -2.393 0.608) 4.824 10.512 ( -16.799 -9.699 0.395) 19.401 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/40500 10.0 1746.106 1746.106 4269.366 0.000 -0.000 -0.000 3/40500 20.0 658.485 658.485 818.180 0.000 -0.000 -0.000 3/40500 30.0 249.536 249.536 247.832 0.000 -0.000 -0.000 3/40500 40.0 109.650 109.650 86.127 0.000 -0.000 -0.000 3/40500 50.0 61.230 61.230 38.344 0.000 -0.000 -0.000 3/40500 60.0 40.263 40.263 21.289 0.000 -0.000 -0.000 3/40500 70.0 29.397 29.397 13.814 0.000 -0.000 -0.000 3/40500 80.0 23.006 23.006 9.977 0.000 -0.000 -0.000 3/40500 90.0 18.888 18.888 7.761 0.000 -0.000 -0.000 3/40500 100.0 16.047 16.047 6.362 0.000 -0.000 -0.000 3/40500 110.0 13.980 13.980 5.414 0.000 -0.000 -0.000 3/40500 120.0 12.413 12.413 4.734 0.000 -0.000 -0.000 3/40500 130.0 11.183 11.183 4.224 0.000 -0.000 -0.000 3/40500 140.0 10.191 10.191 3.827 0.000 -0.000 -0.000 3/40500 150.0 9.373 9.373 3.508 0.000 -0.000 -0.000 3/40500 160.0 8.686 8.686 3.245 0.000 -0.000 -0.000 3/40500 170.0 8.100 8.100 3.024 0.000 -0.000 -0.000 3/40500 180.0 7.593 7.593 2.835 0.000 -0.000 -0.000 3/40500 190.0 7.149 7.149 2.670 0.000 -0.000 -0.000 3/40500 200.0 6.757 6.757 2.526 0.000 -0.000 -0.000 3/40500 210.0 6.408 6.408 2.398 0.000 -0.000 -0.000 3/40500 220.0 6.096 6.096 2.284 0.000 -0.000 -0.000 3/40500 230.0 5.813 5.813 2.180 0.000 -0.000 -0.000 3/40500 240.0 5.557 5.557 2.087 0.000 -0.000 -0.000 3/40500 250.0 5.323 5.323 2.001 0.000 -0.000 -0.000 3/40500 260.0 5.109 5.109 1.923 0.000 -0.000 -0.000 3/40500 270.0 4.912 4.912 1.850 0.000 -0.000 -0.000 3/40500 280.0 4.730 4.730 1.784 0.000 -0.000 -0.000 3/40500 290.0 4.561 4.561 1.722 0.000 -0.000 -0.000 3/40500 300.0 4.405 4.405 1.664 0.000 -0.000 -0.000 3/40500 310.0 4.259 4.259 1.610 0.000 -0.000 -0.000 3/40500 320.0 4.122 4.122 1.560 0.000 -0.000 -0.000 3/40500 330.0 3.994 3.994 1.513 0.000 -0.000 -0.000 3/40500 340.0 3.874 3.874 1.469 0.000 -0.000 -0.000 3/40500 350.0 3.761 3.761 1.427 0.000 -0.000 -0.000 3/40500 360.0 3.655 3.655 1.387 0.000 -0.000 -0.000 3/40500 370.0 3.555 3.555 1.350 0.000 -0.000 -0.000 3/40500 380.0 3.460 3.460 1.315 0.000 -0.000 -0.000 3/40500 390.0 3.370 3.370 1.281 0.000 -0.000 -0.000 3/40500 400.0 3.284 3.284 1.250 0.000 -0.000 -0.000 3/40500 410.0 3.203 3.203 1.219 0.000 -0.000 -0.000 3/40500 420.0 3.126 3.126 1.191 0.000 -0.000 -0.000 3/40500 430.0 3.053 3.053 1.163 0.000 -0.000 -0.000 3/40500 440.0 2.983 2.983 1.137 0.000 -0.000 -0.000 3/40500 450.0 2.916 2.916 1.112 0.000 -0.000 -0.000 3/40500 460.0 2.852 2.852 1.088 0.000 -0.000 -0.000 3/40500 470.0 2.791 2.791 1.065 0.000 -0.000 -0.000 3/40500 480.0 2.732 2.732 1.043 0.000 -0.000 -0.000 3/40500 490.0 2.676 2.676 1.022 0.000 -0.000 -0.000 3/40500 500.0 2.622 2.622 1.002 0.000 -0.000 -0.000 3/40500 510.0 2.571 2.571 0.982 0.000 -0.000 -0.000 3/40500 520.0 2.521 2.521 0.963 0.000 -0.000 -0.000 3/40500 530.0 2.473 2.473 0.945 0.000 -0.000 -0.000 3/40500 540.0 2.427 2.427 0.928 0.000 -0.000 -0.000 3/40500 550.0 2.383 2.383 0.911 0.000 -0.000 -0.000 3/40500 560.0 2.340 2.340 0.895 0.000 -0.000 -0.000 3/40500 570.0 2.299 2.299 0.880 0.000 -0.000 -0.000 3/40500 580.0 2.259 2.259 0.865 0.000 -0.000 -0.000 3/40500 590.0 2.221 2.221 0.850 0.000 -0.000 -0.000 3/40500 600.0 2.184 2.184 0.836 0.000 -0.000 -0.000 3/40500 610.0 2.148 2.148 0.823 0.000 -0.000 -0.000 3/40500 620.0 2.113 2.113 0.809 0.000 -0.000 -0.000 3/40500 630.0 2.079 2.079 0.797 0.000 -0.000 -0.000 3/40500 640.0 2.047 2.047 0.784 0.000 -0.000 -0.000 3/40500 650.0 2.015 2.015 0.772 0.000 -0.000 -0.000 3/40500 660.0 1.985 1.985 0.761 0.000 -0.000 -0.000 3/40500 670.0 1.955 1.955 0.750 0.000 -0.000 -0.000 3/40500 680.0 1.926 1.926 0.739 0.000 -0.000 -0.000 3/40500 690.0 1.898 1.898 0.728 0.000 -0.000 -0.000 3/40500 700.0 1.871 1.871 0.718 0.000 -0.000 -0.000 3/40500 710.0 1.845 1.845 0.708 0.000 -0.000 -0.000 3/40500 720.0 1.819 1.819 0.698 0.000 -0.000 -0.000 3/40500 730.0 1.794 1.794 0.688 0.000 -0.000 -0.000 3/40500 740.0 1.770 1.770 0.679 0.000 -0.000 -0.000 3/40500 750.0 1.746 1.746 0.670 0.000 -0.000 -0.000 3/40500 760.0 1.723 1.723 0.661 0.000 -0.000 -0.000 3/40500 770.0 1.701 1.701 0.653 0.000 -0.000 -0.000 3/40500 780.0 1.679 1.679 0.645 0.000 -0.000 -0.000 3/40500 790.0 1.658 1.658 0.636 0.000 -0.000 -0.000 3/40500 800.0 1.637 1.637 0.629 0.000 -0.000 -0.000 3/40500 810.0 1.617 1.617 0.621 0.000 -0.000 -0.000 3/40500 820.0 1.597 1.597 0.613 0.000 -0.000 -0.000 3/40500 830.0 1.578 1.578 0.606 0.000 -0.000 -0.000 3/40500 840.0 1.559 1.559 0.599 0.000 -0.000 -0.000 3/40500 850.0 1.541 1.541 0.592 0.000 -0.000 -0.000 3/40500 860.0 1.523 1.523 0.585 0.000 -0.000 -0.000 3/40500 870.0 1.505 1.505 0.578 0.000 -0.000 -0.000 3/40500 880.0 1.488 1.488 0.572 0.000 -0.000 -0.000 3/40500 890.0 1.471 1.471 0.565 0.000 -0.000 -0.000 3/40500 900.0 1.455 1.455 0.559 0.000 -0.000 -0.000 3/40500 910.0 1.439 1.439 0.553 0.000 -0.000 -0.000 3/40500 920.0 1.423 1.423 0.547 0.000 -0.000 -0.000 3/40500 930.0 1.408 1.408 0.541 0.000 -0.000 -0.000 3/40500 940.0 1.393 1.393 0.536 0.000 -0.000 -0.000 3/40500 950.0 1.379 1.379 0.530 0.000 -0.000 -0.000 3/40500 960.0 1.364 1.364 0.524 0.000 -0.000 -0.000 3/40500 970.0 1.350 1.350 0.519 0.000 -0.000 -0.000 3/40500 980.0 1.336 1.336 0.514 0.000 -0.000 -0.000 3/40500 990.0 1.323 1.323 0.509 0.000 -0.000 -0.000 3/40500 1000.0 1.310 1.310 0.504 0.000 -0.000 -0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:42:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|