----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:02:19]------------------------- 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 1.976046209172099 1.140870810796649 7.363841766666659 b -1.976046209172095 1.140870810796649 7.363841766666659 c 0.000000000000002 -2.281741621593301 7.363841766666659 Atomic positions (fractional): *1 S 0.26609354455669 0.26609354455669 0.26609354455669 32.065 2 S 0.73390645544331 0.73390645544331 0.73390645544331 32.065 *3 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 *4 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.952092418344194 0.000000000000000 0.000000000000000 b -1.976046209172097 3.422612432389949 0.000000000000000 c 0.000000000000000 0.000000000000000 22.091525300000001 Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.26609354455669 32.065 > 1 2 S 0.66666666666667 0.33333333333333 0.06723978877665 32.065 > 2 3 S 0.66666666666667 0.33333333333333 0.59942687789002 32.065 > 1 4 S 0.33333333333333 0.66666666666667 0.40057312210998 32.065 > 2 5 S 0.33333333333333 0.66666666666667 0.93276021122335 32.065 > 1 6 S 0.00000000000000 0.00000000000000 0.73390645544331 32.065 > 2 *7 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 3 8 Dy 0.66666666666667 0.33333333333333 0.33333333333333 162.500 > 3 9 Dy 0.33333333333333 0.66666666666667 0.66666666666667 162.500 > 3 *10 Tl 0.33333333333333 0.66666666666667 0.16666666666667 204.383 > 4 11 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 4 12 Tl 0.66666666666667 0.33333333333333 0.83333333333333 204.383 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.856277255032582 0.000000000000000 0.000000000000000 b -5.928138627516291 10.267837297169848 0.000000000000000 c 0.000000000000000 0.000000000000000 22.091525300000001 Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.26609354455669 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.26609354455669 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.26609354455669 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.26609354455669 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.26609354455669 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.26609354455669 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.26609354455669 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.26609354455669 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.26609354455669 32.065 > 1 10 S 0.22222222222222 0.11111111111111 0.06723978877665 32.065 > 2 11 S 0.55555555555556 0.11111111111111 0.06723978877665 32.065 > 2 12 S 0.88888888888889 0.11111111111111 0.06723978877665 32.065 > 2 13 S 0.22222222222222 0.44444444444444 0.06723978877665 32.065 > 2 14 S 0.55555555555556 0.44444444444444 0.06723978877665 32.065 > 2 15 S 0.88888888888889 0.44444444444444 0.06723978877665 32.065 > 2 16 S 0.22222222222222 0.77777777777778 0.06723978877665 32.065 > 2 17 S 0.55555555555556 0.77777777777778 0.06723978877665 32.065 > 2 18 S 0.88888888888889 0.77777777777778 0.06723978877665 32.065 > 2 19 S 0.22222222222222 0.11111111111111 0.59942687789002 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.59942687789002 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.59942687789002 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.59942687789002 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.59942687789002 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.59942687789002 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.59942687789002 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.59942687789002 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.59942687789002 32.065 > 1 28 S 0.11111111111111 0.22222222222222 0.40057312210998 32.065 > 2 29 S 0.44444444444444 0.22222222222222 0.40057312210998 32.065 > 2 30 S 0.77777777777778 0.22222222222222 0.40057312210998 32.065 > 2 31 S 0.11111111111111 0.55555555555556 0.40057312210998 32.065 > 2 32 S 0.44444444444444 0.55555555555556 0.40057312210998 32.065 > 2 33 S 0.77777777777778 0.55555555555556 0.40057312210998 32.065 > 2 34 S 0.11111111111111 0.88888888888889 0.40057312210998 32.065 > 2 35 S 0.44444444444444 0.88888888888889 0.40057312210998 32.065 > 2 36 S 0.77777777777778 0.88888888888889 0.40057312210998 32.065 > 2 37 S 0.11111111111111 0.22222222222222 0.93276021122335 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.93276021122335 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.93276021122335 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.93276021122335 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.93276021122335 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.93276021122335 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.93276021122335 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.93276021122335 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.93276021122335 32.065 > 1 46 S 0.00000000000000 0.00000000000000 0.73390645544331 32.065 > 2 47 S 0.33333333333333 0.00000000000000 0.73390645544331 32.065 > 2 48 S 0.66666666666667 0.00000000000000 0.73390645544331 32.065 > 2 49 S 0.00000000000000 0.33333333333333 0.73390645544331 32.065 > 2 50 S 0.33333333333333 0.33333333333333 0.73390645544331 32.065 > 2 51 S 0.66666666666667 0.33333333333333 0.73390645544331 32.065 > 2 52 S 0.00000000000000 0.66666666666667 0.73390645544331 32.065 > 2 53 S 0.33333333333333 0.66666666666667 0.73390645544331 32.065 > 2 54 S 0.66666666666667 0.66666666666667 0.73390645544331 32.065 > 2 *55 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 3 56 Dy 0.33333333333333 0.00000000000000 0.00000000000000 162.500 > 3 57 Dy 0.66666666666667 0.00000000000000 0.00000000000000 162.500 > 3 58 Dy 0.00000000000000 0.33333333333333 0.00000000000000 162.500 > 3 59 Dy 0.33333333333333 0.33333333333333 0.00000000000000 162.500 > 3 60 Dy 0.66666666666667 0.33333333333333 0.00000000000000 162.500 > 3 61 Dy 0.00000000000000 0.66666666666667 0.00000000000000 162.500 > 3 62 Dy 0.33333333333333 0.66666666666667 0.00000000000000 162.500 > 3 63 Dy 0.66666666666667 0.66666666666667 0.00000000000000 162.500 > 3 64 Dy 0.22222222222222 0.11111111111111 0.33333333333333 162.500 > 3 65 Dy 0.55555555555556 0.11111111111111 0.33333333333333 162.500 > 3 66 Dy 0.88888888888889 0.11111111111111 0.33333333333333 162.500 > 3 67 Dy 0.22222222222222 0.44444444444444 0.33333333333333 162.500 > 3 68 Dy 0.55555555555556 0.44444444444444 0.33333333333333 162.500 > 3 69 Dy 0.88888888888889 0.44444444444444 0.33333333333333 162.500 > 3 70 Dy 0.22222222222222 0.77777777777778 0.33333333333333 162.500 > 3 71 Dy 0.55555555555556 0.77777777777778 0.33333333333333 162.500 > 3 72 Dy 0.88888888888889 0.77777777777778 0.33333333333333 162.500 > 3 73 Dy 0.11111111111111 0.22222222222222 0.66666666666667 162.500 > 3 74 Dy 0.44444444444444 0.22222222222222 0.66666666666667 162.500 > 3 75 Dy 0.77777777777778 0.22222222222222 0.66666666666667 162.500 > 3 76 Dy 0.11111111111111 0.55555555555556 0.66666666666667 162.500 > 3 77 Dy 0.44444444444444 0.55555555555556 0.66666666666667 162.500 > 3 78 Dy 0.77777777777778 0.55555555555556 0.66666666666667 162.500 > 3 79 Dy 0.11111111111111 0.88888888888889 0.66666666666667 162.500 > 3 80 Dy 0.44444444444444 0.88888888888889 0.66666666666667 162.500 > 3 81 Dy 0.77777777777778 0.88888888888889 0.66666666666667 162.500 > 3 *82 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 4 83 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 4 84 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 4 85 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 4 86 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 4 87 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 4 88 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 4 89 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 4 90 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 4 91 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 4 92 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 4 93 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 4 94 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 4 95 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 4 96 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 4 97 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 4 98 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 4 99 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 4 100 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 4 101 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 4 102 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 4 103 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 4 104 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 4 105 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 4 106 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 4 107 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 4 108 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6898516 -0.0000000 0.0000000 0.0000000 7.6898516 0.0000000 0.0000000 0.0000000 8.1821174 -------------------------- Born effective charges -------------------------- 1 S -3.0192263 0.0000000 0.0000000 0.0000000 -3.0192263 0.0000000 0.0000000 0.0000000 -3.0045511 2 S -3.0192263 0.0000000 0.0000000 0.0000000 -3.0192263 0.0000000 0.0000000 0.0000000 -3.0045511 3 Dy 4.3376930 -0.0000000 0.0000000 0.0000000 4.3376930 0.0000000 0.0000000 0.0000000 2.7907522 4 Tl 1.7007597 0.0000000 0.0000000 0.0000000 1.7007597 0.0000000 0.0000000 0.0000000 3.2183500 ---------------------------------------------------------------------------- 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: 196 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: 0.178 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.197 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 196 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:02:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:02:23]------------------------- 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 1.976046209172099 1.140870810796649 7.363841766666659 b -1.976046209172095 1.140870810796649 7.363841766666659 c 0.000000000000002 -2.281741621593301 7.363841766666659 Atomic positions (fractional): 1 S 0.26609354455669 0.26609354455669 0.26609354455669 32.065 2 S 0.73390645544331 0.73390645544331 0.73390645544331 32.065 3 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 4 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.856277255032582 0.000000000000000 0.000000000000000 b -5.928138627516291 10.267837297169848 0.000000000000000 c 0.000000000000000 0.000000000000000 22.091525300000001 Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.26609354455669 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.26609354455669 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.26609354455669 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.26609354455669 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.26609354455669 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.26609354455669 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.26609354455669 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.26609354455669 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.26609354455669 32.065 > 1 10 S 0.22222222222222 0.11111111111111 0.06723978877665 32.065 > 10 11 S 0.55555555555556 0.11111111111111 0.06723978877665 32.065 > 10 12 S 0.88888888888889 0.11111111111111 0.06723978877665 32.065 > 10 13 S 0.22222222222222 0.44444444444444 0.06723978877665 32.065 > 10 14 S 0.55555555555556 0.44444444444444 0.06723978877665 32.065 > 10 15 S 0.88888888888889 0.44444444444444 0.06723978877665 32.065 > 10 16 S 0.22222222222222 0.77777777777778 0.06723978877665 32.065 > 10 17 S 0.55555555555556 0.77777777777778 0.06723978877665 32.065 > 10 18 S 0.88888888888889 0.77777777777778 0.06723978877665 32.065 > 10 19 S 0.22222222222222 0.11111111111111 0.59942687789002 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.59942687789002 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.59942687789002 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.59942687789002 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.59942687789002 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.59942687789002 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.59942687789002 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.59942687789002 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.59942687789002 32.065 > 1 28 S 0.11111111111111 0.22222222222222 0.40057312210998 32.065 > 10 29 S 0.44444444444444 0.22222222222222 0.40057312210998 32.065 > 10 30 S 0.77777777777778 0.22222222222222 0.40057312210998 32.065 > 10 31 S 0.11111111111111 0.55555555555556 0.40057312210998 32.065 > 10 32 S 0.44444444444444 0.55555555555556 0.40057312210998 32.065 > 10 33 S 0.77777777777778 0.55555555555556 0.40057312210998 32.065 > 10 34 S 0.11111111111111 0.88888888888889 0.40057312210998 32.065 > 10 35 S 0.44444444444444 0.88888888888889 0.40057312210998 32.065 > 10 36 S 0.77777777777778 0.88888888888889 0.40057312210998 32.065 > 10 37 S 0.11111111111111 0.22222222222222 0.93276021122335 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.93276021122335 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.93276021122335 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.93276021122335 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.93276021122335 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.93276021122335 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.93276021122335 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.93276021122335 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.93276021122335 32.065 > 1 46 S 0.00000000000000 0.00000000000000 0.73390645544331 32.065 > 10 47 S 0.33333333333333 0.00000000000000 0.73390645544331 32.065 > 10 48 S 0.66666666666667 0.00000000000000 0.73390645544331 32.065 > 10 49 S 0.00000000000000 0.33333333333333 0.73390645544331 32.065 > 10 50 S 0.33333333333333 0.33333333333333 0.73390645544331 32.065 > 10 51 S 0.66666666666667 0.33333333333333 0.73390645544331 32.065 > 10 52 S 0.00000000000000 0.66666666666667 0.73390645544331 32.065 > 10 53 S 0.33333333333333 0.66666666666667 0.73390645544331 32.065 > 10 54 S 0.66666666666667 0.66666666666667 0.73390645544331 32.065 > 10 55 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 55 56 Dy 0.33333333333333 0.00000000000000 0.00000000000000 162.500 > 55 57 Dy 0.66666666666667 0.00000000000000 0.00000000000000 162.500 > 55 58 Dy 0.00000000000000 0.33333333333333 0.00000000000000 162.500 > 55 59 Dy 0.33333333333333 0.33333333333333 0.00000000000000 162.500 > 55 60 Dy 0.66666666666667 0.33333333333333 0.00000000000000 162.500 > 55 61 Dy 0.00000000000000 0.66666666666667 0.00000000000000 162.500 > 55 62 Dy 0.33333333333333 0.66666666666667 0.00000000000000 162.500 > 55 63 Dy 0.66666666666667 0.66666666666667 0.00000000000000 162.500 > 55 64 Dy 0.22222222222222 0.11111111111111 0.33333333333333 162.500 > 55 65 Dy 0.55555555555556 0.11111111111111 0.33333333333333 162.500 > 55 66 Dy 0.88888888888889 0.11111111111111 0.33333333333333 162.500 > 55 67 Dy 0.22222222222222 0.44444444444444 0.33333333333333 162.500 > 55 68 Dy 0.55555555555556 0.44444444444444 0.33333333333333 162.500 > 55 69 Dy 0.88888888888889 0.44444444444444 0.33333333333333 162.500 > 55 70 Dy 0.22222222222222 0.77777777777778 0.33333333333333 162.500 > 55 71 Dy 0.55555555555556 0.77777777777778 0.33333333333333 162.500 > 55 72 Dy 0.88888888888889 0.77777777777778 0.33333333333333 162.500 > 55 73 Dy 0.11111111111111 0.22222222222222 0.66666666666667 162.500 > 55 74 Dy 0.44444444444444 0.22222222222222 0.66666666666667 162.500 > 55 75 Dy 0.77777777777778 0.22222222222222 0.66666666666667 162.500 > 55 76 Dy 0.11111111111111 0.55555555555556 0.66666666666667 162.500 > 55 77 Dy 0.44444444444444 0.55555555555556 0.66666666666667 162.500 > 55 78 Dy 0.77777777777778 0.55555555555556 0.66666666666667 162.500 > 55 79 Dy 0.11111111111111 0.88888888888889 0.66666666666667 162.500 > 55 80 Dy 0.44444444444444 0.88888888888889 0.66666666666667 162.500 > 55 81 Dy 0.77777777777778 0.88888888888889 0.66666666666667 162.500 > 55 82 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 82 83 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 82 84 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 82 85 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 82 86 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 82 87 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 82 88 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 82 89 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 82 90 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 82 91 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 82 92 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 82 93 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 82 94 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 82 95 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 82 96 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 82 97 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 82 98 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 82 99 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 82 100 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 82 101 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 82 102 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 82 103 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 82 104 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 82 105 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 82 106 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 82 107 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 82 108 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6898516 -0.0000000 0.0000000 0.0000000 7.6898516 0.0000000 0.0000000 0.0000000 8.1821174 -------------------------- Born effective charges -------------------------- 1 S -3.0192263 0.0000000 0.0000000 0.0000000 -3.0192263 0.0000000 0.0000000 0.0000000 -3.0045511 2 S -3.0192263 0.0000000 0.0000000 0.0000000 -3.0192263 0.0000000 0.0000000 0.0000000 -3.0045511 3 Dy 4.3376930 -0.0000000 0.0000000 0.0000000 4.3376930 0.0000000 0.0000000 0.0000000 2.7907522 4 Tl 1.7007597 0.0000000 0.0000000 0.0000000 1.7007597 0.0000000 0.0000000 0.0000000 3.2183500 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) 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 09:02:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:02:29]------------------------- 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 1.976046209172099 1.140870810796649 7.363841766666659 b -1.976046209172095 1.140870810796649 7.363841766666659 c 0.000000000000002 -2.281741621593301 7.363841766666659 Atomic positions (fractional): 1 S 0.26609354455669 0.26609354455669 0.26609354455669 32.065 2 S 0.73390645544331 0.73390645544331 0.73390645544331 32.065 3 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 4 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.856277255032582 0.000000000000000 0.000000000000000 b -5.928138627516291 10.267837297169848 0.000000000000000 c 0.000000000000000 0.000000000000000 22.091525300000001 Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.26609354455669 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.26609354455669 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.26609354455669 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.26609354455669 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.26609354455669 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.26609354455669 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.26609354455669 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.26609354455669 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.26609354455669 32.065 > 1 10 S 0.22222222222222 0.11111111111111 0.06723978877665 32.065 > 10 11 S 0.55555555555556 0.11111111111111 0.06723978877665 32.065 > 10 12 S 0.88888888888889 0.11111111111111 0.06723978877665 32.065 > 10 13 S 0.22222222222222 0.44444444444444 0.06723978877665 32.065 > 10 14 S 0.55555555555556 0.44444444444444 0.06723978877665 32.065 > 10 15 S 0.88888888888889 0.44444444444444 0.06723978877665 32.065 > 10 16 S 0.22222222222222 0.77777777777778 0.06723978877665 32.065 > 10 17 S 0.55555555555556 0.77777777777778 0.06723978877665 32.065 > 10 18 S 0.88888888888889 0.77777777777778 0.06723978877665 32.065 > 10 19 S 0.22222222222222 0.11111111111111 0.59942687789002 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.59942687789002 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.59942687789002 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.59942687789002 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.59942687789002 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.59942687789002 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.59942687789002 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.59942687789002 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.59942687789002 32.065 > 1 28 S 0.11111111111111 0.22222222222222 0.40057312210998 32.065 > 10 29 S 0.44444444444444 0.22222222222222 0.40057312210998 32.065 > 10 30 S 0.77777777777778 0.22222222222222 0.40057312210998 32.065 > 10 31 S 0.11111111111111 0.55555555555556 0.40057312210998 32.065 > 10 32 S 0.44444444444444 0.55555555555556 0.40057312210998 32.065 > 10 33 S 0.77777777777778 0.55555555555556 0.40057312210998 32.065 > 10 34 S 0.11111111111111 0.88888888888889 0.40057312210998 32.065 > 10 35 S 0.44444444444444 0.88888888888889 0.40057312210998 32.065 > 10 36 S 0.77777777777778 0.88888888888889 0.40057312210998 32.065 > 10 37 S 0.11111111111111 0.22222222222222 0.93276021122335 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.93276021122335 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.93276021122335 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.93276021122335 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.93276021122335 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.93276021122335 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.93276021122335 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.93276021122335 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.93276021122335 32.065 > 1 46 S 0.00000000000000 0.00000000000000 0.73390645544331 32.065 > 10 47 S 0.33333333333333 0.00000000000000 0.73390645544331 32.065 > 10 48 S 0.66666666666667 0.00000000000000 0.73390645544331 32.065 > 10 49 S 0.00000000000000 0.33333333333333 0.73390645544331 32.065 > 10 50 S 0.33333333333333 0.33333333333333 0.73390645544331 32.065 > 10 51 S 0.66666666666667 0.33333333333333 0.73390645544331 32.065 > 10 52 S 0.00000000000000 0.66666666666667 0.73390645544331 32.065 > 10 53 S 0.33333333333333 0.66666666666667 0.73390645544331 32.065 > 10 54 S 0.66666666666667 0.66666666666667 0.73390645544331 32.065 > 10 55 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 55 56 Dy 0.33333333333333 0.00000000000000 0.00000000000000 162.500 > 55 57 Dy 0.66666666666667 0.00000000000000 0.00000000000000 162.500 > 55 58 Dy 0.00000000000000 0.33333333333333 0.00000000000000 162.500 > 55 59 Dy 0.33333333333333 0.33333333333333 0.00000000000000 162.500 > 55 60 Dy 0.66666666666667 0.33333333333333 0.00000000000000 162.500 > 55 61 Dy 0.00000000000000 0.66666666666667 0.00000000000000 162.500 > 55 62 Dy 0.33333333333333 0.66666666666667 0.00000000000000 162.500 > 55 63 Dy 0.66666666666667 0.66666666666667 0.00000000000000 162.500 > 55 64 Dy 0.22222222222222 0.11111111111111 0.33333333333333 162.500 > 55 65 Dy 0.55555555555556 0.11111111111111 0.33333333333333 162.500 > 55 66 Dy 0.88888888888889 0.11111111111111 0.33333333333333 162.500 > 55 67 Dy 0.22222222222222 0.44444444444444 0.33333333333333 162.500 > 55 68 Dy 0.55555555555556 0.44444444444444 0.33333333333333 162.500 > 55 69 Dy 0.88888888888889 0.44444444444444 0.33333333333333 162.500 > 55 70 Dy 0.22222222222222 0.77777777777778 0.33333333333333 162.500 > 55 71 Dy 0.55555555555556 0.77777777777778 0.33333333333333 162.500 > 55 72 Dy 0.88888888888889 0.77777777777778 0.33333333333333 162.500 > 55 73 Dy 0.11111111111111 0.22222222222222 0.66666666666667 162.500 > 55 74 Dy 0.44444444444444 0.22222222222222 0.66666666666667 162.500 > 55 75 Dy 0.77777777777778 0.22222222222222 0.66666666666667 162.500 > 55 76 Dy 0.11111111111111 0.55555555555556 0.66666666666667 162.500 > 55 77 Dy 0.44444444444444 0.55555555555556 0.66666666666667 162.500 > 55 78 Dy 0.77777777777778 0.55555555555556 0.66666666666667 162.500 > 55 79 Dy 0.11111111111111 0.88888888888889 0.66666666666667 162.500 > 55 80 Dy 0.44444444444444 0.88888888888889 0.66666666666667 162.500 > 55 81 Dy 0.77777777777778 0.88888888888889 0.66666666666667 162.500 > 55 82 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 82 83 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 82 84 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 82 85 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 82 86 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 82 87 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 82 88 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 82 89 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 82 90 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 82 91 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 82 92 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 82 93 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 82 94 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 82 95 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 82 96 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 82 97 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 82 98 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 82 99 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 82 100 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 82 101 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 82 102 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 82 103 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 82 104 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 82 105 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 82 106 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 82 107 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 82 108 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.6898516 -0.0000000 0.0000000 0.0000000 7.6898516 0.0000000 0.0000000 0.0000000 8.1821174 -------------------------- Born effective charges -------------------------- 1 S -3.0192263 0.0000000 0.0000000 0.0000000 -3.0192263 0.0000000 0.0000000 0.0000000 -3.0045511 2 S -3.0192263 0.0000000 0.0000000 0.0000000 -3.0192263 0.0000000 0.0000000 0.0000000 -3.0045511 3 Dy 4.3376930 -0.0000000 0.0000000 0.0000000 4.3376930 0.0000000 0.0000000 0.0000000 2.7907522 4 Tl 1.7007597 0.0000000 0.0000000 0.0000000 1.7007597 0.0000000 0.0000000 0.0000000 3.2183500 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.90, Number of G-points: 313, Lambda: 0.26 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: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.361 ( 0.000 0.000 0.000) 0.000 1.361 ( 0.000 0.000 0.000) 0.000 2.277 ( 0.000 0.000 0.000) 0.000 5.238 ( 0.000 0.000 0.000) 0.000 5.238 ( 0.000 0.000 0.000) 0.000 6.292 ( 0.000 0.000 0.000) 0.000 6.538 ( 0.000 0.000 0.000) 0.000 6.538 ( 0.000 0.000 0.000) 0.000 8.075 ( 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: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( 14.998 8.659 -9.263) 19.640 0.329 ( 15.543 8.974 -12.655) 21.961 0.713 ( 25.943 14.978 16.860) 34.375 1.386 ( 2.461 1.421 -0.873) 2.973 1.531 ( 9.077 5.241 -1.182) 10.548 2.327 ( 1.060 0.612 10.458) 10.529 5.263 ( 2.205 1.273 -0.559) 2.606 6.259 ( 0.175 0.101 -9.111) 9.113 6.523 ( -1.457 -0.841 0.991) 1.953 6.542 ( 1.134 0.655 -5.717) 5.865 7.943 ( -9.509 -5.490 3.444) 11.507 8.284 ( 2.812 1.624 0.243) 3.257 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 13.505 7.797 -6.598) 16.933 0.611 ( 12.655 7.307 -11.346) 18.500 1.174 ( 11.226 6.481 9.072) 15.821 1.473 ( 5.822 3.362 -1.791) 6.958 1.897 ( 22.836 13.184 3.695) 26.626 2.393 ( 2.885 1.665 0.693) 3.402 5.333 ( 4.247 2.452 -1.430) 5.108 6.213 ( -3.152 -1.820 -1.317) 3.870 6.482 ( -2.517 -1.453 1.875) 3.459 6.562 ( 2.713 1.566 -7.612) 8.232 7.713 ( -11.655 -6.729 4.536) 14.202 8.317 ( 0.291 0.168 -2.054) 2.081 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 9.667 5.581 -9.510) 14.664 0.859 ( 9.579 5.530 -3.672) 11.654 1.347 ( 3.975 2.295 2.740) 5.346 1.647 ( 10.238 5.911 -2.461) 12.075 2.437 ( 4.634 2.675 -1.091) 5.461 2.487 ( 23.171 13.378 1.743) 26.813 5.442 ( 5.928 3.423 -2.716) 7.364 6.099 ( -6.079 -3.510 -5.252) 8.767 6.426 ( -2.967 -1.713 2.669) 4.343 6.625 ( 4.419 2.551 -4.186) 6.599 7.457 ( -12.344 -7.127 5.748) 15.368 8.288 ( -1.967 -1.136 -3.319) 4.022 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 7.192 4.152 -6.975) 10.845 1.017 ( 5.459 3.152 -1.826) 6.563 1.402 ( 1.350 0.779 -2.184) 2.683 1.905 ( 12.758 7.366 -2.285) 14.907 2.448 ( -0.524 -0.302 -2.467) 2.540 3.049 ( 23.206 13.398 1.410) 26.833 5.578 ( 6.961 4.019 -4.218) 9.077 5.920 ( -7.273 -4.199 -10.656) 13.568 6.369 ( -2.867 -1.655 3.482) 4.804 6.727 ( 4.942 2.853 -0.414) 5.721 7.193 ( -12.656 -7.307 5.387) 15.575 8.219 ( -2.989 -1.726 -4.056) 5.326 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 3.608 2.083 -3.457) 5.414 1.106 ( 3.024 1.746 -0.955) 3.620 1.427 ( 3.028 1.748 -5.804) 6.776 2.178 ( 11.509 6.645 -1.592) 13.385 2.405 ( -3.035 -1.752 0.696) 3.573 3.518 ( 18.070 10.432 -0.424) 20.869 5.722 ( 6.937 4.005 -5.435) 9.680 5.732 ( -5.775 -3.334 -12.706) 14.350 6.320 ( -2.460 -1.420 4.263) 5.123 6.828 ( 2.784 1.608 3.428) 4.700 6.924 ( -11.396 -6.579 1.336) 13.226 8.141 ( -2.665 -1.539 -3.919) 4.983 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -0.613 -0.354 -1.912) 2.039 1.154 ( 1.597 0.922 -0.476) 1.905 1.533 ( 7.411 4.279 -4.731) 9.778 2.316 ( -5.193 -2.998 2.850) 6.640 2.394 ( 7.701 4.446 -0.896) 8.938 3.849 ( 11.412 6.588 -1.036) 13.218 5.601 ( -2.564 -1.480 -10.575) 10.981 5.847 ( 5.418 3.128 -5.379) 8.251 6.284 ( -1.862 -1.075 4.320) 4.825 6.652 ( -10.896 -6.291 3.144) 12.968 6.917 ( 2.659 1.535 -0.102) 3.072 8.082 ( -1.606 -0.927 -2.818) 3.373 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -0.709 -0.409 -0.842) 1.175 1.177 ( 0.509 0.294 -0.144) 0.606 1.681 ( 5.034 2.906 -1.806) 6.086 2.210 ( -3.828 -2.210 1.857) 4.794 2.510 ( 2.681 1.548 -0.287) 3.109 4.020 ( 3.890 2.246 -0.500) 4.520 5.549 ( -0.317 -0.183 -4.254) 4.269 5.923 ( 2.142 1.237 -2.507) 3.521 6.264 ( -0.780 -0.450 2.083) 2.269 6.474 ( -4.627 -2.671 0.993) 5.434 6.958 ( 0.894 0.516 0.108) 1.038 8.052 ( -0.503 -0.290 -1.023) 1.176 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 0.000 15.986 14.829) 21.805 0.437 ( 0.000 19.963 3.073) 20.198 0.638 ( 0.000 28.079 7.181) 28.983 1.393 ( 0.000 3.292 0.532) 3.335 1.518 ( -0.000 10.704 -3.700) 11.326 2.376 ( 0.000 -3.545 18.910) 19.239 5.274 ( 0.000 3.042 2.021) 3.652 6.188 ( -0.000 5.323 -22.608) 23.226 6.509 ( -0.000 -2.287 -2.023) 3.054 6.556 ( -0.000 2.122 -1.900) 2.848 7.953 ( 0.000 -11.725 4.844) 12.686 8.288 ( 0.000 2.581 0.799) 2.702 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -3.265 13.796 10.944) 17.910 0.709 ( 3.007 20.029 -7.377) 21.555 1.076 ( 13.155 11.632 10.518) 20.470 1.455 ( 2.119 6.211 -0.081) 6.563 1.753 ( 12.957 18.395 0.513) 22.506 2.397 ( -0.085 1.512 5.400) 5.609 5.321 ( 0.877 4.526 1.245) 4.775 6.205 ( 1.933 -0.365 -6.836) 7.113 6.464 ( -0.530 -3.178 -3.335) 4.637 6.563 ( -0.825 2.895 -3.914) 4.938 7.788 ( -6.125 -12.317 4.840) 14.582 8.313 ( 0.225 1.307 -1.733) 2.182 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 7.391 7.784 2.382) 10.994 0.903 ( 2.511 14.120 -5.673) 15.423 1.309 ( 5.170 3.550 4.098) 7.492 1.591 ( 5.192 9.744 -1.078) 11.093 2.269 ( 21.237 21.549 3.359) 30.441 2.426 ( 0.553 1.891 -1.877) 2.721 5.404 ( 2.896 5.515 -0.239) 6.234 6.156 ( -4.740 -2.311 -3.528) 6.344 6.430 ( 0.655 -3.268 -0.271) 3.344 6.579 ( 1.654 3.372 -6.052) 7.123 7.560 ( -8.429 -11.867 5.469) 15.550 8.299 ( -1.499 -0.567 -3.000) 3.401 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 8.819 4.365 -1.850) 10.013 1.035 ( 1.825 8.467 -3.237) 9.247 1.388 ( 1.348 1.362 -0.457) 1.970 1.814 ( 8.684 12.155 -1.597) 15.023 2.435 ( 0.272 0.070 -3.456) 3.467 2.839 ( 20.827 19.178 1.995) 28.382 5.521 ( 4.410 6.429 -2.021) 8.054 5.996 ( -8.512 -2.570 -7.989) 11.954 6.402 ( -1.520 -1.886 2.653) 3.592 6.656 ( 5.407 2.619 -3.938) 7.184 7.312 ( -9.671 -11.181 5.565) 15.796 8.238 ( -2.852 -1.809 -3.845) 5.117 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 7.329 2.831 -2.448) 8.230 1.114 ( 1.031 4.364 -1.594) 4.759 1.400 ( 0.374 1.373 -4.438) 4.661 2.087 ( 9.413 11.859 -1.469) 15.212 2.418 ( -0.609 -1.319 -0.831) 1.673 3.336 ( 17.615 14.900 0.233) 23.073 5.655 ( 4.559 6.273 -4.495) 8.963 5.802 ( -8.163 -0.471 -9.950) 12.879 6.362 ( -2.483 -1.060 3.585) 4.488 6.768 ( 5.911 1.607 -1.873) 6.406 7.050 ( -10.835 -9.896 4.550) 15.363 8.155 ( -2.811 -2.295 -4.027) 5.421 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 2.853 1.159 -1.682) 3.509 1.146 ( 0.424 1.524 -0.732) 1.743 1.446 ( 4.817 3.595 -5.262) 7.988 2.294 ( 3.439 1.078 0.546) 3.645 2.414 ( 0.647 6.928 0.296) 6.965 3.714 ( 12.975 9.444 -0.520) 16.057 5.630 ( -4.928 0.614 -10.068) 11.226 5.807 ( 3.554 7.638 -4.945) 9.769 6.318 ( -2.767 -1.828 4.421) 5.527 6.784 ( -9.348 -7.255 -0.275) 11.836 6.872 ( 3.029 1.053 2.056) 3.809 8.084 ( -1.570 -2.166 -3.162) 4.142 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -0.747 -0.734 -1.316) 1.682 1.178 ( 0.621 1.929 -0.383) 2.063 1.584 ( 7.706 2.972 -3.325) 8.904 2.247 ( -3.235 -4.617 2.591) 6.205 2.545 ( 0.694 10.719 -0.913) 10.780 3.950 ( 7.334 3.750 -0.236) 8.241 5.567 ( -1.868 3.143 -5.467) 6.577 5.917 ( 2.420 7.108 -5.139) 9.099 6.252 ( -2.474 -5.380 4.596) 7.496 6.589 ( -7.838 -0.670 0.316) 7.873 6.931 ( 2.329 0.025 0.157) 2.335 8.045 ( -0.078 -1.685 -1.273) 2.113 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 0.470 -0.075 0.096) 0.486 1.193 ( -0.720 1.422 -0.117) 1.598 1.680 ( 2.194 -2.035 -1.188) 3.220 2.178 ( -0.265 -1.424 0.009) 1.449 2.605 ( -4.350 7.965 -0.454) 9.087 4.032 ( 0.762 -1.099 0.578) 1.457 5.581 ( -0.465 3.966 2.088) 4.506 5.985 ( -1.626 6.563 -2.194) 7.109 6.186 ( 2.085 -6.911 2.290) 7.574 6.518 ( -3.241 4.995 -0.952) 6.030 6.949 ( 0.589 -1.132 -0.570) 1.397 8.040 ( 1.035 -1.030 1.092) 1.824 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 1.425 0.420 1.477) 2.095 1.181 ( -1.835 0.493 0.200) 1.911 1.608 ( -4.959 -5.026 1.923) 7.318 2.221 ( 5.293 0.237 -3.025) 6.101 2.550 ( -9.360 4.866 0.168) 10.551 3.956 ( -6.783 -4.546 1.219) 8.256 5.634 ( 0.396 3.891 9.273) 10.064 5.958 ( -6.505 2.275 3.422) 7.694 6.219 ( 5.130 -1.324 -2.398) 5.815 6.573 ( 4.119 6.580 -3.232) 8.408 6.926 ( -0.990 -2.387 -0.890) 2.734 8.065 ( 1.906 -0.228 3.108) 3.653 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -2.340 -2.113 1.971) 3.718 1.152 ( -1.024 0.442 0.766) 1.353 1.490 ( -4.421 -2.692 4.512) 6.867 2.284 ( 0.434 -2.161 -1.549) 2.694 2.412 ( -8.045 2.861 -0.189) 8.540 3.722 ( -14.875 -6.716 1.076) 16.356 5.735 ( 2.597 4.282 12.896) 13.834 5.852 ( -8.132 0.099 4.830) 9.459 6.280 ( 2.816 1.651 -3.858) 5.054 6.752 ( 10.003 6.120 -6.557) 13.435 6.869 ( -1.526 -3.547 0.695) 3.924 8.118 ( 2.783 0.644 4.156) 5.043 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -5.163 -5.653 3.238) 8.313 1.129 ( -3.433 0.856 1.666) 3.910 1.438 ( -2.350 -0.427 3.798) 4.487 2.101 ( -14.522 -2.444 1.560) 14.809 2.423 ( 2.993 0.213 0.169) 3.005 3.335 ( -22.426 -7.953 -0.025) 23.794 5.697 ( -8.768 -1.815 4.544) 10.041 5.903 ( 4.685 5.631 11.916) 13.988 6.327 ( 2.431 1.776 -4.039) 5.038 6.768 ( -3.498 -2.688 -2.082) 4.878 7.010 ( 13.304 3.863 -4.149) 14.461 8.192 ( 3.326 1.227 4.033) 5.370 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -7.487 -8.267 4.483) 12.021 1.064 ( -6.742 1.919 3.029) 7.636 1.392 ( -3.782 -0.931 0.429) 3.918 1.831 ( -14.622 -2.050 2.081) 14.911 2.460 ( 0.531 -0.342 1.971) 2.070 2.823 ( -28.100 -8.246 -1.560) 29.326 5.544 ( -8.130 -1.922 2.832) 8.822 6.067 ( 4.694 4.614 7.549) 10.015 6.374 ( 3.016 0.661 -3.480) 4.652 6.679 ( -3.591 -2.085 0.885) 4.246 7.265 ( 14.150 3.316 -4.638) 15.256 8.269 ( 2.868 1.125 2.954) 4.268 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -10.274 -8.582 4.192) 14.028 0.952 ( -11.181 3.154 4.668) 12.520 1.276 ( -8.326 -2.297 -2.751) 9.064 1.603 ( -11.064 -0.735 1.442) 11.182 2.243 ( -29.950 -6.130 -2.346) 30.661 2.441 ( -3.050 -0.691 1.254) 3.370 5.411 ( -6.407 -1.181 1.322) 6.648 6.181 ( 3.082 2.177 1.644) 4.116 6.423 ( 3.621 -0.318 -1.564) 3.957 6.619 ( -2.652 -0.428 2.537) 3.695 7.522 ( 14.262 2.341 -2.681) 14.700 8.319 ( 1.155 0.436 1.441) 1.897 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( -12.051 0.000 0.000) 12.051 0.752 ( -16.988 0.000 0.000) 16.988 1.020 ( -20.135 0.000 0.000) 20.135 1.455 ( -6.323 0.000 0.000) 6.323 1.752 ( -21.534 0.000 0.000) 21.534 2.370 ( -4.513 0.000 0.000) 4.513 5.315 ( -4.426 0.000 0.000) 4.426 6.236 ( 2.486 -0.000 -0.000) 2.486 6.479 ( 3.246 -0.000 -0.000) 3.246 6.585 ( -2.112 0.000 0.000) 2.112 7.765 ( 13.148 -0.000 -0.000) 13.148 8.321 ( -1.442 0.000 0.000) 1.442 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 0.000 11.521 9.777) 15.110 0.793 ( 0.000 14.541 2.536) 14.760 1.113 ( 0.000 15.141 7.072) 16.711 1.508 ( 0.000 8.049 1.884) 8.266 1.847 ( 0.000 25.247 -1.777) 25.309 2.432 ( 0.000 1.700 4.182) 4.515 5.379 ( 0.000 5.895 3.436) 6.823 6.157 ( -0.000 1.179 -7.249) 7.344 6.431 ( -0.000 -3.871 -3.506) 5.222 6.585 ( -0.000 2.273 -3.935) 4.544 7.713 ( 0.000 -15.364 4.095) 15.901 8.320 ( -0.000 1.048 -1.822) 2.102 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -6.906 11.828 9.947) 16.927 0.978 ( 2.194 10.548 -1.733) 10.913 1.288 ( 3.584 6.571 4.214) 8.590 1.631 ( 2.794 11.226 1.477) 11.662 2.225 ( 12.235 27.815 0.460) 30.390 2.450 ( -0.809 2.244 -0.457) 2.429 5.450 ( -0.010 7.277 2.792) 7.794 6.168 ( 0.442 -0.315 -2.628) 2.683 6.374 ( 0.161 -3.457 -3.766) 5.114 6.585 ( -0.414 2.018 -5.510) 5.882 7.539 ( -3.526 -15.727 4.094) 16.630 8.310 ( -1.145 -0.219 -2.386) 2.656 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -1.317 9.843 6.376) 11.801 1.082 ( 0.958 6.865 -1.469) 7.085 1.381 ( 1.495 2.806 -0.029) 3.180 1.825 ( 5.377 13.900 0.266) 14.906 2.432 ( -0.948 0.504 -3.043) 3.227 2.743 ( 15.977 24.638 1.027) 29.383 5.545 ( 1.480 8.483 1.189) 8.693 6.089 ( -6.802 -1.580 -5.067) 8.628 6.380 ( 2.784 -1.763 1.000) 3.444 6.595 ( 2.169 1.874 -6.658) 7.249 7.326 ( -5.323 -14.945 4.437) 16.474 8.259 ( -2.845 -1.467 -3.229) 4.547 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 2.293 7.271 2.713) 8.092 1.140 ( 0.273 3.633 -0.571) 3.687 1.403 ( -0.210 1.747 -3.650) 4.052 2.074 ( 7.144 13.921 -0.598) 15.659 2.412 ( -0.267 -0.216 -0.661) 0.745 3.225 ( 15.001 19.162 -0.129) 24.336 5.664 ( 2.185 8.783 -1.561) 9.184 5.923 ( -8.753 0.351 -6.934) 11.172 6.395 ( -0.626 -0.382 2.913) 3.003 6.662 ( 6.002 0.496 -5.265) 8.000 7.101 ( -6.493 -12.934 4.333) 15.107 8.173 ( -3.591 -2.343 -4.140) 5.960 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 2.925 4.735 0.901) 5.638 1.158 ( -0.404 1.067 -0.446) 1.225 1.416 ( 1.289 3.187 -4.397) 5.582 2.260 ( 2.804 2.105 0.218) 3.513 2.468 ( 3.050 10.317 1.276) 10.834 3.606 ( 11.902 12.340 -0.577) 17.154 5.708 ( -4.861 3.703 -8.316) 10.320 5.847 ( -0.473 7.816 -2.116) 8.111 6.372 ( -3.101 0.041 3.245) 4.488 6.733 ( 3.922 -4.228 -4.893) 7.563 6.911 ( -4.609 -5.630 5.001) 8.828 8.080 ( -2.535 -2.838 -4.390) 5.809 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -0.885 -0.618 -1.088) 1.533 1.190 ( 1.090 3.586 0.097) 3.750 1.495 ( 4.974 3.459 -2.449) 6.535 2.249 ( -1.370 -4.203 2.870) 5.271 2.658 ( 1.693 15.627 -0.495) 15.727 3.859 ( 8.076 5.193 -0.122) 9.602 5.641 ( -3.986 5.444 -5.675) 8.816 5.936 ( 1.856 6.541 -3.426) 7.614 6.303 ( -5.722 -1.251 3.964) 7.072 6.658 ( -2.455 -4.677 -2.172) 5.712 6.903 ( 1.456 1.019 2.079) 2.735 8.016 ( -0.198 -2.908 -3.096) 4.252 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -0.004 -0.568 -0.555) 0.794 1.227 ( -0.674 3.151 -0.016) 3.222 1.598 ( 4.634 -0.069 -1.668) 4.926 2.182 ( -2.222 -3.282 1.784) 4.346 2.787 ( -3.923 14.361 -0.903) 14.915 3.983 ( 3.962 -0.616 0.689) 4.069 5.653 ( -1.361 7.007 -0.287) 7.144 6.007 ( 3.701 1.513 -3.417) 5.259 6.201 ( -7.015 1.368 4.072) 8.226 6.599 ( -1.913 0.749 -1.063) 2.313 6.929 ( 0.314 0.127 -0.517) 0.618 8.000 ( 1.898 -2.364 -0.272) 3.044 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 1.527 0.141 0.691) 1.682 1.229 ( -2.222 2.143 0.165) 3.091 1.609 ( -0.518 -4.093 -0.658) 4.178 2.151 ( 1.433 -0.990 -1.330) 2.191 2.791 ( -9.906 10.664 -0.505) 14.564 3.988 ( -1.232 -3.729 1.204) 4.107 5.707 ( -0.621 5.608 5.440) 7.837 6.082 ( 4.122 -4.603 3.830) 7.270 6.136 ( -4.661 9.443 -2.058) 10.730 6.593 ( -0.360 2.952 -1.815) 3.484 6.911 ( -0.842 -1.778 -2.338) 3.055 8.027 ( 2.868 -1.285 2.522) 4.030 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 1.146 -0.034 1.419) 1.824 1.193 ( -3.468 0.397 0.344) 3.508 1.534 ( -2.831 -3.249 1.451) 4.548 2.194 ( 4.747 -0.873 -2.824) 5.592 2.663 ( -14.257 5.733 0.044) 15.367 3.871 ( -8.435 -4.497 1.126) 9.625 5.785 ( 1.519 4.787 9.386) 10.645 6.012 ( -7.852 0.342 4.347) 8.982 6.238 ( 3.956 4.953 -2.376) 6.770 6.650 ( 5.134 3.130 -3.695) 7.058 6.858 ( -1.478 -3.370 -2.403) 4.395 8.082 ( 3.255 -0.149 3.792) 5.000 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -5.347 -2.574 1.665) 6.164 1.167 ( -0.589 0.486 0.488) 0.906 1.482 ( -1.972 -0.607 2.557) 3.285 2.246 ( 0.841 -0.912 -1.153) 1.694 2.456 ( -11.691 1.559 0.090) 11.795 3.617 ( -17.018 -4.132 0.559) 17.521 5.859 ( -8.672 0.781 5.399) 10.245 5.922 ( 2.622 3.841 7.602) 8.911 6.308 ( 0.964 2.951 -2.862) 4.222 6.781 ( -0.897 -0.626 -5.644) 5.749 6.814 ( 10.050 -0.482 0.014) 10.062 8.154 ( 3.611 0.563 3.343) 4.953 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -7.695 -2.883 1.657) 8.382 1.149 ( -2.339 0.437 0.516) 2.434 1.449 ( -2.841 -0.053 1.253) 3.106 2.085 ( -15.480 -0.324 0.681) 15.498 2.422 ( 3.248 -0.230 0.199) 3.262 3.225 ( -25.107 -2.964 -0.119) 25.282 5.694 ( -10.203 -0.524 1.744) 10.364 6.057 ( 4.452 3.332 6.221) 8.344 6.330 ( 1.230 0.567 -2.922) 3.221 6.714 ( -2.781 -1.491 -0.541) 3.202 7.033 ( 14.021 0.987 -2.422) 14.263 8.230 ( 3.607 0.562 1.804) 4.072 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -9.978 0.000 0.000) 9.978 1.095 ( -4.858 0.000 0.000) 4.858 1.382 ( -5.407 0.000 0.000) 5.407 1.823 ( -14.732 0.000 0.000) 14.732 2.462 ( 0.707 -0.000 -0.000) 0.707 2.733 ( -30.466 0.000 0.000) 30.466 5.533 ( -8.575 0.000 0.000) 8.575 6.149 ( 3.113 -0.000 -0.000) 3.113 6.360 ( 2.908 -0.000 -0.000) 2.908 6.662 ( -2.538 0.000 0.000) 2.538 7.280 ( 14.850 -0.000 -0.000) 14.850 8.291 ( 2.762 -0.000 -0.000) 2.762 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 0.000 5.964 4.065) 7.217 1.033 ( 0.000 8.759 2.258) 9.046 1.346 ( 0.000 6.781 4.054) 7.900 1.725 ( 0.000 12.240 2.562) 12.505 2.412 ( 0.000 27.625 0.201) 27.626 2.479 ( -0.000 5.263 -1.783) 5.557 5.537 ( 0.000 7.852 3.419) 8.564 6.161 ( -0.000 1.921 -0.512) 1.988 6.328 ( -0.000 -4.020 -3.613) 5.405 6.583 ( -0.000 0.761 -7.239) 7.279 7.414 ( 0.000 -17.269 3.204) 17.563 8.312 ( -0.000 -0.483 -2.045) 2.101 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -3.151 6.369 4.378) 8.347 1.123 ( 0.822 5.150 0.963) 5.303 1.406 ( -0.350 4.202 0.567) 4.254 1.887 ( 3.505 13.228 1.470) 13.763 2.450 ( -1.365 -0.415 -2.407) 2.798 2.803 ( 7.894 29.229 0.206) 30.277 5.625 ( 0.218 8.490 2.231) 8.781 6.160 ( -3.688 0.463 -1.104) 3.878 6.308 ( 3.218 -1.237 -0.505) 3.485 6.564 ( 0.499 -0.012 -8.787) 8.801 7.238 ( -1.895 -16.988 3.141) 17.380 8.282 ( -2.035 -1.069 -2.277) 3.236 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -1.305 6.558 3.930) 7.756 1.168 ( -0.057 2.341 0.743) 2.457 1.422 ( -0.918 2.561 -3.256) 4.243 2.096 ( 5.466 12.242 -0.197) 13.408 2.421 ( -0.295 0.197 0.282) 0.453 3.216 ( 9.893 23.199 -0.501) 25.226 5.726 ( 1.143 8.843 -0.066) 8.917 6.052 ( -7.573 0.948 -3.328) 8.326 6.381 ( 3.490 0.672 3.155) 4.752 6.562 ( 3.184 -0.780 -8.501) 9.111 7.048 ( -2.744 -15.245 2.908) 15.761 8.208 ( -4.057 -1.677 -3.267) 5.472 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 0.206 5.854 3.250) 6.699 1.172 ( -0.546 0.121 -0.109) 0.570 1.424 ( -0.045 2.932 -4.033) 4.986 2.236 ( 1.999 1.212 0.007) 2.338 2.516 ( 5.200 11.459 2.939) 12.922 3.562 ( 8.619 15.388 -1.033) 17.668 5.802 ( -2.105 6.849 -5.530) 9.051 5.953 ( -4.872 4.688 0.107) 6.762 6.427 ( -0.582 2.254 1.557) 2.800 6.598 ( 4.951 -4.260 -4.320) 7.831 6.892 ( -0.873 -9.688 2.478) 10.038 8.100 ( -4.635 -2.279 -4.659) 6.956 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -1.805 -1.004 -0.507) 2.127 1.215 ( 1.319 5.048 1.456) 5.417 1.464 ( 2.185 3.189 -1.607) 4.186 2.235 ( -0.325 -3.187 3.045) 4.420 2.765 ( 5.276 16.660 1.162) 17.514 3.792 ( 6.106 6.838 -0.741) 9.198 5.766 ( -5.331 6.754 -5.280) 10.095 5.966 ( -0.855 3.099 -0.165) 3.219 6.419 ( -4.256 3.747 0.956) 5.751 6.584 ( 2.173 -6.869 -1.464) 7.352 6.881 ( 3.539 -0.934 2.268) 4.306 7.994 ( -2.711 -2.967 -5.214) 6.583 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -0.769 -1.069 -0.814) 1.549 1.276 ( -0.331 4.675 0.716) 4.741 1.533 ( 3.130 0.881 -0.256) 3.262 2.194 ( -1.885 -3.045 2.948) 4.638 2.984 ( -0.157 17.583 -0.129) 17.584 3.903 ( 4.173 -0.912 0.166) 4.275 5.762 ( -2.903 8.532 -1.995) 9.230 5.952 ( 0.184 -3.155 0.159) 3.165 6.376 ( -6.346 6.331 0.206) 8.966 6.573 ( 2.440 -2.910 0.309) 3.811 6.937 ( 0.903 1.436 0.408) 1.745 7.935 ( 1.262 -3.245 -3.271) 4.777 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 1.008 -0.299 -0.039) 1.053 1.297 ( -2.252 3.757 0.503) 4.409 1.563 ( 1.272 -2.593 -0.716) 2.976 2.143 ( -1.635 -1.581 0.699) 2.380 3.072 ( -8.454 14.668 -0.660) 16.942 3.934 ( 2.963 -4.707 0.992) 5.649 5.786 ( -1.766 4.015 -0.418) 4.407 5.978 ( 4.821 0.085 5.376) 7.222 6.328 ( -6.622 6.570 -2.622) 9.690 6.599 ( 1.245 0.304 2.259) 2.597 6.923 ( -2.614 -0.073 -3.467) 4.343 7.954 ( 4.266 -2.245 0.327) 4.831 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 2.106 0.103 0.607) 2.194 1.272 ( -4.309 1.815 0.443) 4.696 1.532 ( -0.633 -3.059 -0.496) 3.163 2.126 ( 1.282 -0.664 -1.203) 1.879 2.979 ( -14.975 8.015 -0.386) 16.989 3.915 ( -1.075 -3.809 0.954) 4.071 5.807 ( 1.757 1.363 2.178) 3.112 6.095 ( 1.521 2.220 9.227) 9.612 6.278 ( -3.006 5.701 -5.976) 8.789 6.626 ( -0.074 1.775 2.296) 2.904 6.846 ( -2.391 -2.807 -5.360) 6.506 8.022 ( 4.652 -0.785 2.251) 5.227 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -0.096 -0.246 0.617) 0.671 1.199 ( -4.292 0.096 0.188) 4.297 1.501 ( -0.615 -0.839 0.520) 1.163 2.166 ( 4.369 -0.472 -1.167) 4.547 2.747 ( -17.669 2.388 0.004) 17.830 3.810 ( -8.799 -1.894 0.432) 9.011 5.889 ( 4.929 1.432 3.062) 5.977 6.045 ( -9.199 0.757 3.286) 9.798 6.329 ( 1.222 3.730 -1.213) 4.108 6.666 ( 4.587 0.609 -0.296) 4.636 6.779 ( -0.894 -2.425 -2.870) 3.862 8.100 ( 4.176 0.022 1.757) 4.531 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -6.459 0.000 0.000) 6.459 1.174 ( -0.511 0.000 0.000) 0.511 1.486 ( -1.286 0.000 0.000) 1.286 2.234 ( 1.698 -0.000 -0.000) 1.698 2.472 ( -13.590 0.000 0.000) 13.590 3.577 ( -17.719 0.000 0.000) 17.719 5.877 ( -10.947 0.000 0.000) 10.947 5.997 ( 5.656 -0.000 -0.000) 5.656 6.334 ( -1.329 0.000 0.000) 1.329 6.743 ( -1.726 0.000 0.000) 1.726 6.813 ( 11.692 -0.000 -0.000) 11.692 8.171 ( 3.923 -0.000 -0.000) 3.923 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.000 2.915 0.869) 3.042 1.170 ( 0.000 4.081 2.193) 4.633 1.454 ( -0.000 3.441 -0.572) 3.488 1.982 ( 0.000 12.398 0.889) 12.430 2.437 ( -0.000 -2.946 -2.811) 4.072 3.035 ( 0.000 29.863 0.739) 29.872 5.701 ( 0.000 6.832 0.364) 6.841 6.227 ( 0.000 3.696 3.284) 4.945 6.254 ( -0.000 -1.338 -0.714) 1.516 6.518 ( -0.000 -1.831 -11.102) 11.252 7.096 ( 0.000 -16.662 2.640) 16.870 8.285 ( -0.000 -0.867 -1.615) 1.833 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 0.313 2.868 0.674) 2.963 1.199 ( -0.741 1.670 1.868) 2.612 1.461 ( -1.521 2.405 -3.471) 4.489 2.129 ( 3.159 10.398 -0.494) 10.879 2.402 ( 1.385 -2.822 -0.634) 3.207 3.345 ( 3.449 25.559 0.386) 25.794 5.771 ( 1.826 5.511 -2.064) 6.162 6.177 ( -6.023 2.106 0.385) 6.393 6.337 ( 4.147 2.634 3.584) 6.082 6.475 ( 1.757 -2.951 -9.907) 10.485 6.939 ( -1.154 -14.511 1.793) 14.667 8.249 ( -2.863 -0.899 -1.843) 3.521 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 1.786 3.299 0.930) 3.865 1.186 ( -1.854 -0.492 1.052) 2.187 1.448 ( -0.895 2.520 -4.189) 4.970 2.219 ( 0.827 0.552 0.044) 0.995 2.504 ( 8.420 7.320 1.936) 11.324 3.623 ( 3.459 18.500 -0.321) 18.824 5.854 ( 2.076 5.574 -4.522) 7.471 6.094 ( -6.642 3.287 1.591) 7.580 6.415 ( 2.811 -1.269 -7.624) 8.224 6.484 ( 4.006 -0.810 4.852) 6.344 6.801 ( -0.461 -9.975 -0.181) 9.987 8.160 ( -5.456 -1.130 -3.139) 6.395 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -2.075 -2.058 -0.727) 3.012 1.239 ( 2.342 4.471 1.761) 5.346 1.464 ( 0.810 2.639 -1.693) 3.238 2.218 ( 0.262 -2.433 2.962) 3.842 2.778 ( 10.881 12.059 1.328) 16.296 3.805 ( 1.464 10.129 -0.636) 10.254 5.892 ( -2.601 6.579 -6.105) 9.345 6.036 ( -4.701 1.293 3.488) 5.995 6.403 ( 3.996 -5.266 -8.437) 10.718 6.563 ( -0.249 2.887 8.536) 9.014 6.770 ( 5.875 -3.722 -1.079) 7.038 8.032 ( -6.266 -1.673 -4.823) 8.082 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -1.404 -1.564 -0.893) 2.283 1.321 ( 1.236 4.689 1.068) 4.966 1.503 ( 1.530 0.861 0.480) 1.820 2.202 ( -0.799 -2.138 3.383) 4.081 3.085 ( 8.750 14.823 0.913) 17.237 3.862 ( -0.743 0.949 -0.610) 1.351 5.890 ( -3.581 6.956 -5.614) 9.630 5.959 ( -3.827 -2.153 5.000) 6.654 6.402 ( 3.454 -4.132 -7.538) 9.264 6.596 ( -2.414 5.600 7.341) 9.543 6.882 ( 7.293 -0.060 0.559) 7.314 7.907 ( -3.586 -2.529 -5.150) 6.766 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 0.089 -0.667 -0.397) 0.781 1.372 ( -1.060 4.664 0.606) 4.821 1.520 ( 0.865 -2.173 0.386) 2.370 2.167 ( -2.130 -1.226 1.741) 3.011 3.323 ( -1.048 16.700 0.252) 16.735 3.822 ( 1.667 -7.396 -0.014) 7.581 5.825 ( -2.925 -1.959 -3.414) 4.904 5.988 ( 0.689 6.885 7.285) 10.047 6.378 ( 0.923 -3.629 -7.816) 8.667 6.643 ( -1.509 5.948 7.141) 9.416 6.950 ( -0.221 0.247 -2.145) 2.170 7.859 ( 2.711 -2.455 -2.394) 4.371 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 1.665 -0.091 0.055) 1.669 1.370 ( -4.185 2.832 0.561) 5.084 1.502 ( 0.516 -2.623 -0.447) 2.711 2.126 ( -1.713 -0.424 0.124) 1.769 3.309 ( -14.501 8.191 -0.316) 16.658 3.835 ( 6.119 -4.528 0.521) 7.629 5.782 ( 0.674 -1.116 -0.842) 1.552 6.118 ( 3.497 6.395 8.549) 11.234 6.315 ( -1.644 -3.201 -8.040) 8.809 6.697 ( -1.126 5.024 6.957) 8.655 6.867 ( -5.772 -2.596 -5.904) 8.655 7.923 ( 6.179 -0.936 0.288) 6.256 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 2.252 -0.000 -0.000) 2.252 1.293 ( -5.863 0.000 0.000) 5.863 1.498 ( 0.336 -0.000 -0.000) 0.336 2.116 ( 1.006 -0.000 -0.000) 1.006 3.063 ( -17.694 0.000 0.000) 17.694 3.876 ( -0.144 0.000 0.000) 0.144 5.818 ( 3.933 -0.000 -0.000) 3.933 6.196 ( -6.685 0.000 0.000) 6.685 6.273 ( 6.215 -0.000 -0.000) 6.215 6.703 ( -6.385 0.000 0.000) 6.385 6.755 ( 0.761 -0.000 -0.000) 0.761 8.021 ( 5.430 -0.000 -0.000) 5.430 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -0.000 1.483 -0.498) 1.564 1.221 ( 0.000 -0.001 1.434) 1.434 1.481 ( -0.000 1.423 -5.122) 5.316 2.202 ( -0.000 9.919 -0.956) 9.965 2.331 ( -0.000 -6.131 -0.914) 6.199 3.567 ( 0.000 23.624 0.802) 23.638 5.772 ( -0.000 1.732 -4.671) 4.982 6.295 ( -0.000 0.066 -6.736) 6.736 6.295 ( 0.000 4.181 4.041) 5.815 6.413 ( 0.000 -1.705 0.920) 1.937 6.823 ( -0.000 -11.412 -0.332) 11.417 8.265 ( -0.000 -0.393 -0.951) 1.029 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 1.574 1.134 -0.537) 2.013 1.206 ( -0.907 -1.561 0.482) 1.869 1.468 ( -0.650 1.394 -5.350) 5.566 2.223 ( -1.571 -1.433 0.410) 2.166 2.401 ( 9.326 4.212 -0.466) 10.244 3.781 ( 0.249 18.431 0.477) 18.439 5.809 ( 4.726 1.415 -5.106) 7.100 6.214 ( -2.960 -0.375 -7.193) 7.788 6.326 ( -1.478 -2.351 -0.076) 2.778 6.468 ( 3.042 2.858 9.528) 10.402 6.724 ( -0.311 -6.525 -3.582) 7.450 8.228 ( -3.706 -0.242 -1.253) 3.919 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -1.431 -2.359 -0.998) 2.934 1.225 ( 3.374 1.976 0.722) 3.976 1.470 ( 0.552 1.876 -2.647) 3.291 2.197 ( 0.389 -2.494 2.512) 3.561 2.649 ( 13.753 6.081 -0.542) 15.047 3.922 ( -1.545 11.898 0.240) 12.001 5.912 ( 4.706 4.032 -5.466) 8.263 6.158 ( -4.263 1.609 0.753) 4.619 6.243 ( 1.204 -8.803 -2.753) 9.302 6.583 ( 3.745 3.186 6.856) 8.437 6.675 ( 0.812 -1.665 -3.862) 4.283 8.128 ( -6.952 -0.414 -2.490) 7.397 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -1.534 -1.714 -0.859) 2.455 1.316 ( 3.912 2.553 0.693) 4.722 1.497 ( 0.805 1.127 -0.047) 1.386 2.196 ( 0.545 -1.529 2.767) 3.208 2.968 ( 16.396 6.752 -0.035) 17.732 3.950 ( -5.117 4.997 -0.003) 7.152 5.964 ( -2.180 3.424 -7.022) 8.111 6.062 ( -5.543 -0.060 7.762) 9.538 6.253 ( 6.134 -4.827 -5.503) 9.550 6.688 ( 0.172 4.064 4.700) 6.216 6.717 ( 9.191 -1.090 -1.307) 9.348 7.981 ( -8.117 -0.881 -3.422) 8.853 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -0.745 -0.647 -0.370) 1.054 1.400 ( 2.765 2.607 0.136) 3.803 1.503 ( -0.629 -0.858 0.652) 1.248 2.191 ( -0.884 -0.623 1.428) 1.792 3.316 ( 16.043 7.100 0.432) 17.549 3.843 ( -9.437 -1.552 -0.321) 9.569 5.866 ( -5.412 -1.605 -1.770) 5.916 6.086 ( -0.774 6.776 5.798) 8.951 6.260 ( 3.405 -5.697 -6.502) 9.291 6.733 ( -0.641 3.467 3.509) 4.975 6.879 ( 8.580 -0.244 -0.436) 8.595 7.845 ( -4.622 -1.110 -2.377) 5.315 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.482 -0.000 -0.000) 0.482 1.458 ( -3.381 0.000 0.000) 3.381 1.461 ( 2.103 -0.000 -0.000) 2.103 2.162 ( -2.260 0.000 0.000) 2.260 3.612 ( -14.459 0.000 0.000) 14.459 3.627 ( 13.991 -0.000 -0.000) 13.991 5.786 ( -2.443 0.000 0.000) 2.443 6.138 ( 0.493 -0.000 -0.000) 0.493 6.262 ( 2.604 -0.000 -0.000) 2.604 6.747 ( -0.617 0.000 0.000) 0.617 6.934 ( -2.197 0.000 0.000) 2.197 7.826 ( 3.475 -0.000 -0.000) 3.475 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -0.000 0.687 -0.801) 1.055 1.188 ( -0.000 -3.219 -0.765) 3.309 1.463 ( -0.000 0.547 -5.719) 5.745 2.213 ( 0.000 -5.597 1.310) 5.748 2.353 ( -0.000 6.305 -1.450) 6.469 3.946 ( 0.000 14.680 0.386) 14.686 5.744 ( -0.000 -0.706 -4.896) 4.947 6.146 ( -0.000 -5.018 -11.838) 12.858 6.426 ( 0.000 5.324 4.393) 6.903 6.463 ( 0.000 -2.451 14.737) 14.940 6.665 ( -0.000 -1.675 -8.406) 8.571 8.259 ( -0.000 0.146 -0.356) 0.385 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -0.745 -2.046 -1.069) 2.426 1.177 ( 3.004 -0.238 -0.454) 3.047 1.461 ( 0.919 0.716 -3.428) 3.620 2.170 ( 0.287 -3.125 1.772) 3.604 2.485 ( 9.451 3.691 -1.219) 10.219 4.056 ( -1.279 9.425 0.256) 9.514 5.797 ( 7.917 0.442 -3.457) 8.650 6.081 ( 1.377 -4.326 -8.194) 9.367 6.339 ( -8.811 -1.687 7.199) 11.502 6.576 ( 3.973 1.849 8.280) 9.368 6.642 ( 0.466 1.161 -8.041) 8.138 8.222 ( -4.400 0.140 -0.615) 4.445 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -1.145 -1.261 -0.604) 1.807 1.254 ( 5.069 0.673 0.192) 5.117 1.485 ( 1.591 0.655 -0.812) 1.903 2.171 ( 1.404 -1.146 1.389) 2.283 2.725 ( 15.746 2.086 -0.623) 15.896 4.080 ( -3.955 4.107 0.203) 5.706 5.963 ( 7.305 4.370 -3.324) 9.139 6.063 ( 4.901 -6.194 -1.807) 8.102 6.191 ( -7.671 -0.633 3.084) 8.292 6.619 ( 1.119 0.283 -1.279) 1.722 6.694 ( 3.356 1.634 1.653) 4.082 8.113 ( -8.016 -0.053 -0.986) 8.077 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -1.172 0.000 0.000) 1.172 1.344 ( 4.759 -0.000 -0.000) 4.759 1.507 ( 0.449 -0.000 -0.000) 0.449 2.190 ( 0.821 -0.000 -0.000) 0.821 3.035 ( 18.978 -0.000 -0.000) 18.978 3.999 ( -7.922 0.000 0.000) 7.922 5.960 ( -6.152 0.000 0.000) 6.152 6.143 ( 3.821 -0.000 -0.000) 3.821 6.143 ( 1.558 -0.000 -0.000) 1.558 6.701 ( 9.467 -0.000 -0.000) 9.467 6.747 ( 1.414 -0.000 -0.000) 1.414 7.961 ( -9.018 0.000 0.000) 9.018 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -0.000 -2.196 -1.117) 2.464 1.141 ( -0.000 0.196 -0.364) 0.413 1.445 ( -0.000 0.165 -2.196) 2.202 2.143 ( 0.000 -2.136 0.943) 2.335 2.429 ( -0.000 2.160 -0.647) 2.255 4.138 ( 0.000 4.844 0.050) 4.844 5.709 ( -0.000 -0.451 -1.914) 1.966 6.022 ( -0.000 -2.139 -4.229) 4.739 6.461 ( 0.000 -2.926 6.198) 6.854 6.522 ( 0.000 2.186 1.694) 2.765 6.645 ( -0.000 1.823 -4.165) 4.547 8.262 ( -0.000 0.160 -0.058) 0.171 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -0.495 0.000 0.000) 0.495 1.177 ( 3.874 -0.000 -0.000) 3.874 1.457 ( 1.571 -0.000 -0.000) 1.571 2.144 ( 1.121 -0.000 -0.000) 1.121 2.517 ( 9.153 -0.000 -0.000) 9.153 4.148 ( -1.619 0.000 0.000) 1.619 5.791 ( 9.752 -0.000 -0.000) 9.752 6.008 ( 0.436 -0.000 -0.000) 0.436 6.339 ( -9.008 0.000 0.000) 9.008 6.624 ( 5.864 -0.000 -0.000) 5.864 6.633 ( -1.461 0.000 0.000) 1.461 8.222 ( -4.676 0.000 0.000) 4.676 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.190 ( 0.000 -0.000 20.721) 20.721 0.190 ( 0.000 -0.000 20.721) 20.721 0.325 ( 0.000 -0.000 35.760) 35.760 1.359 ( -0.000 0.000 -0.506) 0.506 1.359 ( -0.000 0.000 -0.506) 0.506 3.189 ( -0.000 0.000 -4.151) 4.151 5.246 ( 0.000 -0.000 1.584) 1.584 5.246 ( 0.000 -0.000 1.584) 1.584 6.534 ( -0.000 0.000 -1.072) 1.072 6.534 ( -0.000 0.000 -1.072) 1.072 8.077 ( 0.000 -0.000 0.390) 0.390 8.389 ( -0.000 0.000 -0.239) 0.239 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( 11.150 6.437 4.059) 13.499 0.303 ( 8.392 4.845 8.447) 12.855 0.883 ( 22.199 12.817 19.635) 32.289 1.377 ( 2.217 1.280 -1.158) 2.810 1.515 ( 11.833 6.832 -1.304) 13.726 2.498 ( -13.280 -7.667 21.282) 26.231 5.265 ( 1.701 0.982 0.990) 2.199 6.065 ( 18.228 10.524 -27.434) 34.578 6.490 ( -1.869 -1.079 -4.678) 5.152 6.527 ( -0.939 -0.542 -0.194) 1.102 7.992 ( -9.252 -5.342 5.753) 12.134 8.290 ( -0.262 -0.151 0.680) 0.744 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 10.871 6.277 -2.962) 12.898 0.574 ( 13.169 7.603 -1.102) 15.246 1.256 ( 7.886 4.553 8.409) 12.395 1.458 ( 5.551 3.205 -1.541) 6.592 1.938 ( 23.936 13.819 5.152) 28.115 2.407 ( -1.043 -0.602 1.912) 2.260 5.326 ( 3.579 2.066 -0.034) 4.133 6.185 ( -1.287 -0.743 -4.567) 4.803 6.472 ( 3.713 2.144 -11.451) 12.227 6.493 ( -2.021 -1.167 0.584) 2.405 7.767 ( -11.771 -6.796 6.995) 15.287 8.293 ( -0.148 -0.085 -3.211) 3.216 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 9.408 5.432 -6.309) 12.562 0.835 ( 9.847 5.685 -1.447) 11.462 1.372 ( 1.935 1.117 2.652) 3.468 1.628 ( 10.064 5.810 -1.694) 11.743 2.408 ( 1.295 0.747 -4.734) 4.964 2.518 ( 24.937 14.397 4.611) 29.161 5.422 ( 5.131 2.962 -1.533) 6.120 6.048 ( -8.056 -4.651 -5.839) 10.983 6.445 ( -2.448 -1.413 1.419) 3.163 6.574 ( 6.755 3.900 -6.953) 10.449 7.514 ( -12.552 -7.247 6.575) 15.915 8.255 ( -2.141 -1.236 -3.986) 4.691 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 8.125 4.691 -6.264) 11.281 1.003 ( 5.689 3.284 -1.206) 6.678 1.383 ( -0.552 -0.319 -2.145) 2.238 1.887 ( 12.803 7.392 -1.644) 14.874 2.420 ( 0.706 0.408 -3.496) 3.590 3.063 ( 22.251 12.847 1.658) 25.747 5.543 ( 6.172 3.563 -3.313) 7.859 5.829 ( -8.677 -5.009 -9.028) 13.487 6.396 ( -2.305 -1.331 2.536) 3.676 6.709 ( 6.335 3.658 -3.436) 8.082 7.241 ( -13.327 -7.695 4.966) 16.170 8.183 ( -2.958 -1.708 -3.791) 5.103 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 4.913 2.837 -3.187) 6.507 1.097 ( 3.201 1.848 -0.951) 3.817 1.374 ( 2.242 1.295 -5.849) 6.396 2.164 ( 11.674 6.740 -1.541) 13.568 2.407 ( -1.648 -0.952 -0.186) 1.912 3.516 ( 17.569 10.144 0.091) 20.287 5.631 ( -5.949 -3.435 -9.382) 11.628 5.674 ( 6.416 3.704 -4.982) 8.928 6.358 ( -1.987 -1.147 3.959) 4.576 6.825 ( 4.288 2.476 -3.621) 6.134 6.951 ( -12.933 -7.467 4.152) 15.500 8.111 ( -2.379 -1.374 -2.640) 3.810 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -0.406 -0.235 -1.578) 1.646 1.149 ( 1.756 1.014 -0.704) 2.146 1.487 ( 8.436 4.870 -5.430) 11.152 2.338 ( -4.728 -2.730 1.780) 5.743 2.383 ( 7.942 4.585 -1.395) 9.276 3.844 ( 11.370 6.564 -0.093) 13.129 5.524 ( -1.253 -0.723 -6.199) 6.365 5.795 ( 5.660 3.268 -5.871) 8.785 6.328 ( -1.950 -1.126 5.177) 5.646 6.662 ( -10.925 -6.308 -0.986) 12.654 6.916 ( 2.572 1.485 -0.026) 2.970 8.065 ( -1.139 -0.657 -0.727) 1.502 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -0.126 -0.073 -0.560) 0.578 1.174 ( 0.663 0.383 -0.463) 0.894 1.655 ( 6.313 3.645 -3.941) 8.286 2.225 ( -4.736 -2.735 1.246) 5.609 2.504 ( 2.990 1.726 -1.103) 3.624 4.020 ( 4.122 2.380 0.646) 4.804 5.532 ( 2.307 1.332 0.489) 2.708 5.887 ( 3.813 2.202 -5.003) 6.665 6.298 ( -2.179 -1.258 5.049) 5.641 6.471 ( -4.930 -2.846 -1.675) 5.934 6.954 ( 0.893 0.515 -0.870) 1.349 8.054 ( 0.005 0.003 1.442) 1.442 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 1.289 0.744 1.009) 1.798 1.177 ( -0.342 -0.197 -0.192) 0.439 1.686 ( -3.145 -1.816 -0.831) 3.726 2.192 ( 2.547 1.471 -1.978) 3.544 2.509 ( -2.311 -1.334 -0.579) 2.731 4.029 ( -3.700 -2.136 1.567) 4.551 5.608 ( 2.862 1.653 8.550) 9.166 5.928 ( 0.404 0.233 -1.449) 1.522 6.265 ( -1.521 -0.878 2.270) 2.870 6.453 ( 4.081 2.356 -3.672) 5.974 6.952 ( -0.784 -0.453 -1.180) 1.487 8.072 ( 0.918 0.530 3.268) 3.436 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 0.868 0.501 1.977) 2.217 1.158 ( -1.385 -0.800 0.185) 1.610 1.569 ( -5.938 -3.428 3.141) 7.542 2.287 ( 5.543 3.200 -3.427) 7.260 2.399 ( -7.281 -4.203 0.239) 8.410 3.862 ( -11.572 -6.681 1.818) 13.486 5.713 ( 3.628 2.095 13.955) 14.570 5.887 ( -4.200 -2.425 3.174) 5.796 6.255 ( 0.733 0.423 -1.932) 2.109 6.607 ( 10.000 5.773 -6.631) 13.315 6.915 ( -2.020 -1.166 -0.737) 2.446 8.115 ( 1.835 1.059 4.341) 4.830 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -2.710 -1.564 0.801) 3.230 1.135 ( -2.482 -1.433 3.230) 4.318 1.476 ( -3.383 -1.953 4.750) 6.150 2.192 ( -11.074 -6.393 1.368) 12.860 2.395 ( 4.376 2.527 -1.511) 5.274 3.524 ( -18.698 -10.795 0.900) 21.610 5.770 ( -6.985 -4.033 4.908) 9.442 5.857 ( 5.188 2.995 14.829) 15.993 6.283 ( 2.398 1.385 -3.792) 4.696 6.771 ( 2.283 1.318 -8.384) 8.789 6.918 ( 6.473 3.737 -0.708) 7.508 8.179 ( 2.638 1.523 4.437) 5.383 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -4.860 -2.806 2.034) 5.969 1.054 ( -5.750 -3.320 6.263) 9.127 1.422 ( -3.068 -1.771 2.145) 4.141 1.927 ( -12.480 -7.205 2.571) 14.638 2.464 ( 1.558 0.899 1.082) 2.099 3.038 ( -24.135 -13.934 -0.958) 27.885 5.618 ( -7.481 -4.319 4.512) 9.745 6.018 ( 5.170 2.985 10.783) 12.325 6.335 ( 3.147 1.817 -3.954) 5.370 6.716 ( -3.135 -1.810 -2.867) 4.618 7.146 ( 12.195 7.041 -4.965) 14.931 8.254 ( 2.715 1.567 3.520) 4.713 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -8.417 -4.860 4.779) 10.830 0.918 ( -8.527 -4.923 9.473) 13.663 1.326 ( -5.985 -3.455 -1.606) 7.095 1.672 ( -10.446 -6.031 2.966) 12.421 2.430 ( -17.774 -10.262 -1.755) 20.599 2.486 ( -11.006 -6.354 0.646) 12.724 5.470 ( -6.539 -3.775 3.519) 8.331 6.139 ( 3.590 2.073 3.412) 5.369 6.397 ( 3.357 1.938 -3.565) 5.267 6.647 ( -2.518 -1.454 0.471) 2.945 7.415 ( 12.755 7.364 -3.369) 15.109 8.313 ( 1.581 0.913 1.907) 2.640 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -12.143 -7.011 9.426) 16.896 0.723 ( -11.830 -6.830 11.797) 18.049 1.106 ( -14.160 -8.175 -4.852) 17.055 1.490 ( -6.317 -3.647 1.939) 7.548 1.869 ( -21.891 -12.639 -2.770) 25.429 2.400 ( -3.929 -2.268 2.373) 5.120 5.351 ( -4.781 -2.760 2.619) 6.110 6.205 ( 2.376 1.372 -3.110) 4.147 6.460 ( 2.982 1.722 -2.898) 4.501 6.601 ( -1.948 -1.125 0.875) 2.413 7.692 ( 12.139 7.009 0.143) 14.018 8.328 ( -0.655 -0.378 0.166) 0.774 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( -0.000 22.309 -2.839) 22.488 0.564 ( 0.000 13.479 15.329) 20.412 0.813 ( 0.000 18.420 25.005) 31.057 1.396 ( 0.000 3.880 0.086) 3.881 1.484 ( -0.000 12.002 -3.047) 12.382 2.569 ( 0.000 -17.952 19.055) 26.180 5.298 ( 0.000 3.382 3.205) 4.660 5.941 ( -0.000 22.598 -27.025) 35.228 6.487 ( -0.000 -2.811 -2.780) 3.953 6.535 ( -0.000 1.042 -2.329) 2.551 8.001 ( 0.000 -10.900 4.877) 11.941 8.294 ( 0.000 -0.981 0.461) 1.084 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -6.153 12.968 13.362) 19.610 0.652 ( 0.862 20.854 -3.094) 21.100 1.181 ( 9.934 7.284 11.588) 16.912 1.453 ( 1.338 7.045 -0.361) 7.180 1.766 ( 15.717 18.640 2.670) 24.528 2.451 ( -3.732 -3.435 5.584) 7.544 5.338 ( -0.335 5.000 2.325) 5.524 6.120 ( 7.051 5.319 -11.074) 14.165 6.421 ( -1.904 -2.600 -5.735) 6.578 6.529 ( -1.158 1.477 -3.232) 3.738 7.842 ( -5.807 -13.090 6.488) 15.721 8.292 ( -0.307 0.890 -2.813) 2.967 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 1.484 9.377 7.620) 12.173 0.857 ( 2.842 15.071 -4.069) 15.867 1.346 ( 3.657 1.575 3.953) 5.611 1.583 ( 4.513 10.193 -0.678) 11.168 2.297 ( 20.296 18.871 2.167) 27.799 2.411 ( -0.024 2.062 -1.022) 2.302 5.406 ( 1.615 5.884 0.872) 6.163 6.121 ( -5.786 -2.830 -4.156) 7.665 6.412 ( 4.376 -1.371 -4.018) 6.097 6.521 ( 0.435 3.263 -5.925) 6.778 7.616 ( -8.207 -12.604 6.480) 16.378 8.267 ( -1.809 -0.472 -3.905) 4.329 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 5.257 6.403 1.118) 8.360 1.007 ( 2.230 9.255 -2.699) 9.895 1.384 ( -0.100 -0.296 -0.614) 0.688 1.802 ( 8.300 12.470 -0.870) 15.005 2.399 ( 0.764 1.090 -4.420) 4.616 2.858 ( 20.255 17.909 2.179) 27.125 5.508 ( 3.027 6.591 -0.956) 7.316 5.928 ( -9.949 -3.161 -6.862) 12.492 6.420 ( -0.890 -1.395 1.298) 2.103 6.610 ( 7.040 3.148 -6.055) 9.805 7.362 ( -9.911 -11.746 5.331) 16.267 8.202 ( -2.903 -1.816 -4.046) 5.300 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 6.265 4.489 -0.857) 7.755 1.100 ( 1.246 5.129 -1.463) 5.477 1.359 ( -0.721 0.515 -4.454) 4.541 2.075 ( 9.243 12.060 -1.140) 15.237 2.409 ( 0.402 0.193 -1.248) 1.325 3.339 ( 17.308 14.301 0.383) 22.455 5.616 ( 2.349 4.839 -4.045) 6.730 5.727 ( -7.856 1.152 -6.589) 10.318 6.391 ( -1.817 -0.787 2.551) 3.229 6.737 ( 6.583 1.338 -4.616) 8.151 7.090 ( -11.133 -9.786 3.962) 15.343 8.122 ( -2.401 -2.504 -3.328) 4.808 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 2.329 1.490 -0.851) 2.893 1.139 ( 0.560 1.829 -0.670) 2.027 1.398 ( 4.952 4.646 -5.164) 8.531 2.294 ( 4.791 3.426 -0.352) 5.901 2.417 ( -0.243 5.728 0.204) 5.737 3.712 ( 12.951 9.355 0.114) 15.977 5.556 ( -4.271 1.115 -6.137) 7.559 5.765 ( 2.559 8.100 -4.224) 9.487 6.357 ( -2.125 -1.805 4.143) 4.994 6.756 ( -4.972 -5.611 -5.112) 9.074 6.900 ( -1.429 -0.478 3.272) 3.602 8.062 ( -0.706 -2.452 -1.623) 3.024 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -0.464 -0.510 -0.946) 1.171 1.174 ( 0.620 2.107 -0.482) 2.248 1.550 ( 7.826 4.015 -4.037) 9.678 2.267 ( -3.499 -4.425 1.628) 5.871 2.534 ( 0.736 10.828 -1.512) 10.958 3.952 ( 7.484 3.901 0.777) 8.475 5.537 ( 0.164 4.264 -1.077) 4.400 5.870 ( 2.283 7.514 -5.102) 9.365 6.297 ( -2.507 -5.602 5.021) 7.930 6.581 ( -7.388 -0.470 -2.032) 7.677 6.929 ( 1.739 0.108 -0.659) 1.863 8.042 ( 0.928 -1.826 0.754) 2.182 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 1.089 0.225 0.253) 1.141 1.191 ( -0.639 1.600 -0.318) 1.752 1.659 ( 3.261 -0.915 -3.288) 4.720 2.178 ( -1.719 -2.111 -0.080) 2.723 2.597 ( -4.013 8.174 -1.266) 9.194 4.042 ( 0.949 -1.014 1.630) 2.141 5.618 ( 2.381 5.015 5.934) 8.126 5.953 ( 0.377 7.369 -4.405) 8.593 6.219 ( 0.301 -7.209 4.408) 8.455 6.503 ( -3.941 4.770 -2.172) 6.558 6.939 ( 0.546 -1.267 -1.771) 2.246 8.058 ( 1.802 -0.974 2.960) 3.600 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 1.862 0.522 1.401) 2.388 1.182 ( -1.718 0.685 0.006) 1.849 1.617 ( -3.169 -4.300 -0.046) 5.342 2.195 ( 4.587 0.061 -2.804) 5.377 2.548 ( -8.990 5.098 -0.570) 10.350 3.971 ( -6.744 -4.728 1.998) 8.475 5.731 ( 2.611 3.968 12.025) 12.929 5.973 ( -4.583 4.281 -0.202) 6.275 6.214 ( 3.353 -2.947 1.513) 4.714 6.533 ( 2.916 6.434 -5.488) 8.945 6.913 ( -0.577 -2.509 -1.971) 3.243 8.099 ( 2.289 -0.166 4.239) 4.820 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -2.545 -1.797 1.536) 3.473 1.160 ( -0.130 0.319 1.056) 1.111 1.525 ( -3.263 -2.795 2.927) 5.199 2.267 ( 2.807 -1.665 -2.157) 3.912 2.411 ( -9.217 2.992 -0.096) 9.691 3.733 ( -15.160 -7.112 1.466) 16.809 5.856 ( 1.402 2.525 12.518) 12.847 5.894 ( -5.511 0.996 5.262) 7.685 6.252 ( 1.846 1.304 -1.896) 2.950 6.679 ( 8.000 5.808 -9.246) 13.536 6.871 ( 0.265 -2.731 -0.697) 2.831 8.157 ( 2.840 0.460 4.313) 5.185 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -4.289 -5.206 3.173) 7.455 1.144 ( -2.617 0.214 1.802) 3.185 1.467 ( -2.851 -1.306 2.593) 4.069 2.114 ( -13.745 -2.579 1.381) 14.053 2.422 ( 3.955 0.696 -0.455) 4.041 3.336 ( -23.070 -8.275 0.183) 24.510 5.736 ( -8.927 -2.518 3.994) 10.098 6.013 ( 3.999 3.684 12.029) 13.201 6.292 ( 2.170 1.811 -3.443) 4.455 6.730 ( -1.530 -0.591 -6.104) 6.321 6.977 ( 11.836 3.416 -3.273) 12.746 8.226 ( 3.171 0.700 3.251) 4.595 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -6.305 -9.037 5.817) 12.460 1.089 ( -5.368 0.787 2.535) 5.988 1.396 ( -4.958 -1.469 0.487) 5.194 1.850 ( -14.222 -2.686 2.256) 14.648 2.470 ( 0.995 -0.555 0.355) 1.193 2.811 ( -28.846 -8.031 -1.051) 29.962 5.571 ( -8.239 -3.075 3.224) 9.366 6.127 ( 2.607 2.432 5.314) 6.399 6.342 ( 3.194 1.257 -3.310) 4.768 6.671 ( -2.218 -1.022 -2.633) 3.591 7.232 ( 14.220 4.393 -2.493) 15.090 8.289 ( 2.643 0.391 1.439) 3.035 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -8.690 -11.918 8.756) 17.153 0.981 ( -9.615 -0.044 1.484) 9.729 1.265 ( -9.409 -1.071 0.618) 9.489 1.617 ( -11.095 -1.978 1.636) 11.388 2.227 ( -30.265 -4.663 -1.035) 30.640 2.449 ( -2.874 -1.458 0.551) 3.269 5.427 ( -6.435 -2.547 2.222) 7.269 6.184 ( 1.621 1.329 -0.801) 2.244 6.404 ( 3.662 1.125 -2.685) 4.678 6.621 ( -1.928 -1.035 -2.110) 3.040 7.515 ( 14.627 3.617 1.070) 15.105 8.324 ( 0.987 -0.267 -0.518) 1.146 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -0.000 17.180 -2.842) 17.413 0.858 ( 0.000 8.796 8.580) 12.288 1.215 ( 0.000 9.669 13.451) 16.566 1.523 ( 0.000 8.856 1.472) 8.978 1.842 ( 0.000 25.772 0.984) 25.791 2.465 ( 0.000 -2.442 2.567) 3.543 5.412 ( 0.000 5.957 3.741) 7.034 6.082 ( -0.000 6.635 -8.803) 11.023 6.398 ( -0.000 -4.106 -3.579) 5.447 6.538 ( -0.000 1.422 -5.951) 6.118 7.760 ( 0.000 -16.326 5.844) 17.341 8.297 ( -0.000 1.012 -3.217) 3.373 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -5.302 9.947 7.473) 13.524 0.959 ( 0.680 11.871 -1.671) 12.007 1.335 ( 1.602 3.969 5.799) 7.207 1.643 ( 1.964 11.809 1.006) 12.013 2.236 ( 12.454 26.483 2.038) 29.336 2.439 ( -1.361 1.031 -1.865) 2.529 5.476 ( -0.724 7.329 2.912) 7.920 6.141 ( 0.763 1.534 -3.166) 3.600 6.336 ( 0.276 -2.271 -4.639) 5.173 6.527 ( -0.221 1.058 -7.159) 7.240 7.584 ( -3.240 -16.688 5.666) 17.919 8.282 ( -1.388 0.103 -3.720) 3.971 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -2.657 8.715 6.493) 11.188 1.066 ( 0.715 8.427 -1.994) 8.689 1.381 ( 0.079 0.854 0.140) 0.869 1.828 ( 4.765 14.201 0.360) 14.983 2.401 ( -0.921 1.761 -3.723) 4.220 2.754 ( 15.864 23.137 1.363) 28.086 5.557 ( 0.432 8.404 1.457) 8.540 6.044 ( -8.357 -1.671 -4.543) 9.658 6.383 ( 4.456 -0.218 -0.263) 4.470 6.527 ( 2.613 1.522 -8.037) 8.588 7.370 ( -5.198 -15.801 5.028) 17.377 8.226 ( -3.174 -1.248 -4.116) 5.345 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 0.670 7.507 3.950) 8.509 1.134 ( 0.219 4.688 -0.800) 4.761 1.368 ( -1.018 0.667 -4.117) 4.293 2.068 ( 6.710 13.698 -0.563) 15.263 2.408 ( 0.445 2.153 -0.269) 2.215 3.223 ( 14.958 18.408 -0.263) 23.720 5.650 ( 0.329 7.696 -1.504) 7.848 5.870 ( -8.971 1.820 -4.433) 10.170 6.412 ( -0.325 -0.048 0.698) 0.771 6.611 ( 7.166 0.598 -5.733) 9.197 7.139 ( -6.451 -13.399 3.883) 15.370 8.134 ( -3.655 -2.513 -4.367) 6.225 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 1.446 4.885 2.275) 5.580 1.155 ( -0.505 1.238 -0.300) 1.370 1.375 ( 1.646 4.246 -4.469) 6.381 2.259 ( 3.753 3.826 -0.303) 5.367 2.481 ( 2.030 10.305 1.687) 10.638 3.602 ( 12.169 12.090 -0.438) 17.160 5.644 ( -5.298 3.569 -5.758) 8.600 5.834 ( -1.245 8.951 -0.846) 9.077 6.395 ( -2.148 -0.049 1.706) 2.743 6.688 ( 3.630 -3.611 -4.918) 7.100 6.949 ( -4.257 -5.967 3.299) 8.038 8.042 ( -1.868 -3.412 -3.844) 5.469 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -1.212 -0.745 -0.638) 1.559 1.192 ( 0.661 3.934 0.485) 4.019 1.474 ( 4.946 4.709 -2.283) 7.201 2.272 ( -1.286 -3.476 2.070) 4.245 2.653 ( 0.927 15.749 -0.646) 15.789 3.861 ( 8.486 5.200 0.473) 9.964 5.604 ( -2.611 6.322 -2.441) 7.262 5.910 ( 0.606 7.235 -2.084) 7.554 6.337 ( -4.888 -1.689 3.432) 6.207 6.632 ( -1.558 -3.791 -3.366) 5.304 6.916 ( 0.203 0.699 0.671) 0.990 7.993 ( 1.259 -3.505 -1.853) 4.160 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 0.384 -0.360 -0.338) 0.626 1.228 ( -0.849 3.397 0.157) 3.505 1.580 ( 4.203 0.834 -2.320) 4.872 2.197 ( -3.159 -3.514 1.367) 4.919 2.776 ( -3.989 14.642 -1.437) 15.243 3.993 ( 4.240 -0.617 1.538) 4.552 5.663 ( 0.890 7.435 2.534) 7.905 5.982 ( 2.656 4.093 -2.198) 5.351 6.237 ( -6.186 -0.498 3.771) 7.262 6.586 ( -1.851 1.233 -1.821) 2.874 6.917 ( -0.382 -0.344 -2.092) 2.155 8.003 ( 3.407 -2.627 0.983) 4.413 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 2.008 0.240 0.550) 2.096 1.231 ( -2.246 2.371 0.254) 3.276 1.597 ( 0.177 -3.328 -1.919) 3.846 2.142 ( 0.150 -1.320 -0.648) 1.478 2.784 ( -9.618 10.953 -1.081) 14.616 4.002 ( -1.190 -3.968 1.911) 4.562 5.764 ( 2.029 4.600 7.075) 8.679 6.089 ( 4.723 6.126 -1.915) 7.969 6.149 ( -5.396 -0.177 4.275) 6.886 6.572 ( -1.720 3.670 -2.671) 4.854 6.885 ( -0.545 -2.564 -3.393) 4.288 8.052 ( 3.779 -1.457 2.908) 4.986 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 1.608 -0.146 1.173) 1.996 1.196 ( -3.522 0.459 0.487) 3.585 1.541 ( -1.581 -3.102 0.177) 3.486 2.172 ( 4.363 -0.538 -1.834) 4.763 2.662 ( -13.917 5.929 -0.136) 15.128 3.883 ( -8.557 -4.943 1.381) 9.978 5.871 ( 3.790 2.520 9.381) 10.427 6.042 ( -8.492 1.369 1.948) 8.820 6.232 ( 3.821 4.316 1.522) 5.962 6.603 ( 3.193 4.417 -6.361) 8.377 6.836 ( -0.349 -3.673 -2.590) 4.508 8.114 ( 3.594 -0.648 3.125) 4.806 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -4.863 -2.993 2.328) 6.166 1.171 ( -0.337 0.274 0.441) 0.619 1.498 ( -1.534 -1.259 0.885) 2.174 2.236 ( 1.829 -0.436 -1.169) 2.214 2.461 ( -11.928 1.552 0.842) 12.058 3.622 ( -17.243 -4.483 0.407) 17.821 5.891 ( -10.039 -0.777 2.273) 10.322 5.996 ( 5.068 1.199 7.587) 9.203 6.295 ( -0.373 3.295 0.637) 3.377 6.707 ( 3.578 2.820 -9.271) 10.330 6.823 ( 5.733 -1.308 0.625) 5.914 8.178 ( 3.638 -0.368 1.936) 4.138 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -6.988 -4.473 3.421) 8.974 1.155 ( -2.095 -0.076 0.627) 2.188 1.454 ( -2.938 -0.811 -0.238) 3.057 2.091 ( -14.992 -0.864 0.608) 15.029 2.422 ( 3.214 -0.238 -0.141) 3.226 3.223 ( -25.307 -2.895 -0.261) 25.474 5.710 ( -10.094 -1.975 1.576) 10.406 6.093 ( 4.221 -1.018 1.193) 4.503 6.320 ( 0.546 2.125 1.107) 2.457 6.691 ( -1.958 0.295 -4.592) 5.001 7.021 ( 13.746 2.458 -0.224) 13.965 8.238 ( 3.547 -0.567 0.052) 3.592 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -9.367 -3.696 3.967) 10.823 1.092 ( -5.286 -1.323 -0.688) 5.493 1.381 ( -4.831 -0.017 -0.089) 4.832 1.823 ( -14.731 -1.240 0.149) 14.784 2.454 ( 0.565 -0.509 -1.689) 1.852 2.736 ( -30.183 0.763 0.528) 30.197 5.536 ( -8.452 -1.606 0.666) 8.629 6.130 ( 3.706 -3.064 -3.691) 6.062 6.368 ( 2.029 2.072 1.386) 3.214 6.644 ( -2.604 0.453 -3.920) 4.728 7.293 ( 15.061 1.658 2.718) 15.394 8.282 ( 2.739 -0.975 -1.774) 3.406 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 0.000 4.297 2.958) 5.217 1.038 ( 0.000 10.246 -0.723) 10.272 1.389 ( 0.000 3.713 4.979) 6.211 1.744 ( 0.000 12.109 1.496) 12.201 2.419 ( 0.000 22.513 0.885) 22.530 2.458 ( -0.000 9.144 -2.429) 9.461 5.564 ( 0.000 7.254 2.355) 7.627 6.154 ( -0.000 4.373 -0.987) 4.483 6.300 ( -0.000 -3.544 -2.554) 4.369 6.504 ( -0.000 -0.207 -10.103) 10.105 7.454 ( 0.000 -18.156 5.327) 18.921 8.286 ( -0.000 0.084 -3.578) 3.579 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -1.755 4.647 2.691) 5.650 1.126 ( 0.291 6.601 -0.335) 6.616 1.411 ( -1.554 1.856 0.305) 2.440 1.896 ( 3.210 12.841 0.554) 13.248 2.424 ( -0.898 0.301 -3.291) 3.425 2.808 ( 7.553 28.740 1.018) 29.734 5.639 ( 0.184 7.455 0.858) 7.507 6.146 ( -5.547 0.757 -1.756) 5.867 6.306 ( 4.299 1.068 -0.014) 4.430 6.476 ( 1.245 -0.787 -10.455) 10.558 7.276 ( -1.926 -17.864 4.960) 18.639 8.254 ( -2.362 -0.501 -3.653) 4.379 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -0.528 5.388 2.897) 6.140 1.173 ( -0.413 3.172 0.455) 3.231 1.387 ( -1.728 1.467 -4.255) 4.821 2.092 ( 5.074 11.474 -0.756) 12.568 2.426 ( 1.021 2.312 0.792) 2.649 3.212 ( 9.499 22.928 -0.504) 24.823 5.720 ( 0.481 7.234 -1.289) 7.364 6.027 ( -8.038 2.501 -2.269) 8.719 6.394 ( 2.897 0.770 -0.998) 3.159 6.491 ( 5.053 0.209 -6.182) 7.987 7.079 ( -2.893 -16.208 3.876) 16.914 8.173 ( -4.628 -1.392 -4.246) 6.433 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.009 5.206 3.418) 6.228 1.171 ( -0.789 -0.216 -0.125) 0.827 1.385 ( 0.503 4.023 -4.448) 6.018 2.235 ( 2.879 2.886 -0.133) 4.079 2.544 ( 4.787 11.058 3.211) 12.470 3.552 ( 8.613 15.364 -1.114) 17.649 5.753 ( -3.487 5.604 -5.253) 8.435 5.960 ( -4.295 6.564 1.329) 7.956 6.413 ( 0.892 0.165 -4.582) 4.671 6.581 ( 4.516 -0.691 0.483) 4.594 6.913 ( -0.693 -10.968 2.266) 11.221 8.056 ( -4.986 -2.426 -5.075) 7.517 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -2.104 -1.606 -0.497) 2.693 1.230 ( 0.876 5.077 1.799) 5.457 1.451 ( 2.766 4.444 -1.311) 5.396 2.261 ( 0.002 -2.236 2.535) 3.380 2.776 ( 4.383 16.471 1.256) 17.091 3.786 ( 6.542 6.809 -0.579) 9.460 5.724 ( -4.204 7.363 -3.994) 9.372 5.973 ( -2.052 3.614 1.490) 4.415 6.407 ( -0.986 0.721 -3.286) 3.505 6.589 ( -0.539 -2.839 2.331) 3.712 6.894 ( 3.675 -1.530 0.657) 4.035 7.947 ( -2.035 -3.425 -4.895) 6.311 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -0.607 -1.003 -0.576) 1.307 1.284 ( -0.652 4.663 0.991) 4.812 1.530 ( 2.705 1.519 -0.383) 3.126 2.219 ( -2.482 -3.131 2.451) 4.687 2.982 ( -0.849 17.851 -0.321) 17.874 3.906 ( 4.806 -1.072 0.609) 4.962 5.747 ( -1.428 7.894 -1.070) 8.093 5.966 ( -0.032 -0.597 2.610) 2.678 6.368 ( -4.187 2.291 -1.811) 5.104 6.585 ( 0.574 0.925 2.092) 2.359 6.930 ( -0.238 0.903 -1.754) 1.987 7.909 ( 3.079 -3.538 -2.444) 5.289 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 1.325 -0.203 -0.076) 1.342 1.303 ( -2.369 3.868 0.823) 4.610 1.555 ( 0.807 -2.154 -1.086) 2.544 2.151 ( -2.527 -1.943 1.029) 3.349 3.065 ( -8.598 14.973 -0.923) 17.291 3.945 ( 3.245 -5.013 1.456) 6.147 5.790 ( 0.453 2.006 1.335) 2.452 6.028 ( 4.710 3.666 5.239) 7.941 6.303 ( -5.713 2.688 -2.497) 6.790 6.621 ( -0.437 3.796 2.567) 4.603 6.884 ( -3.322 -1.209 -4.930) 6.066 7.957 ( 5.723 -2.400 0.370) 6.217 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 2.367 -0.006 0.236) 2.378 1.277 ( -4.410 1.762 0.819) 4.819 1.525 ( -0.284 -2.691 -0.860) 2.840 2.122 ( 0.629 -0.588 0.162) 0.876 2.976 ( -14.758 8.282 -0.381) 16.927 3.925 ( -1.153 -4.308 1.071) 4.587 5.833 ( 3.557 -0.614 3.571) 5.078 6.180 ( -0.398 3.024 8.967) 9.471 6.221 ( -0.468 3.843 -6.288) 7.384 6.640 ( -3.368 4.790 0.601) 5.886 6.798 ( -1.005 -3.620 -4.891) 6.167 8.037 ( 5.244 -1.373 1.023) 5.516 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.459 -0.702 0.599) 1.031 1.203 ( -4.561 -0.160 0.626) 4.607 1.502 ( -0.349 -0.987 -0.456) 1.142 2.162 ( 4.126 0.147 0.337) 4.142 2.749 ( -17.453 2.331 0.518) 17.615 3.813 ( -8.901 -2.280 0.145) 9.189 5.915 ( 5.530 -1.373 2.760) 6.331 6.056 ( -9.365 -0.718 -0.977) 9.443 6.342 ( 1.579 3.338 4.084) 5.506 6.635 ( 2.245 2.533 -6.071) 6.951 6.770 ( 0.640 -0.954 0.458) 1.236 8.107 ( 4.315 -1.045 -0.142) 4.442 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -6.279 -1.349 1.455) 6.585 1.173 ( -0.428 -0.215 -0.039) 0.481 1.478 ( -1.388 -0.669 -1.660) 2.265 2.234 ( 1.184 0.569 0.095) 1.317 2.477 ( -13.444 -0.462 1.160) 13.502 3.576 ( -17.706 -0.109 -0.420) 17.711 5.871 ( -10.440 -1.627 -1.466) 10.668 5.983 ( 4.836 -3.750 -2.682) 6.681 6.353 ( -1.282 0.042 3.905) 4.110 6.709 ( 0.938 3.385 -5.948) 6.908 6.836 ( 9.114 0.660 3.648) 9.839 8.163 ( 3.961 -1.183 -1.892) 4.547 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -7.841 0.600 0.631) 7.890 1.145 ( -2.700 -0.987 -0.480) 2.915 1.432 ( -2.326 -0.606 -2.597) 3.539 2.079 ( -15.704 -0.270 -0.648) 15.719 2.418 ( 2.215 0.156 -0.581) 2.295 3.226 ( -24.689 3.138 -0.007) 24.888 5.679 ( -9.778 -1.057 -1.670) 9.976 5.991 ( 4.502 -6.123 -7.864) 10.936 6.363 ( 1.137 -0.198 3.948) 4.113 6.702 ( -3.145 3.366 -3.131) 5.570 7.063 ( 14.212 0.117 3.980) 14.759 8.207 ( 3.694 -1.457 -3.238) 5.124 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 0.000 2.235 0.213) 2.245 1.183 ( 0.000 4.789 0.705) 4.841 1.441 ( -0.000 1.080 -2.196) 2.447 1.985 ( 0.000 11.821 -0.244) 11.824 2.408 ( -0.000 -2.055 -3.484) 4.045 3.044 ( 0.000 29.598 1.249) 29.624 5.694 ( -0.000 5.089 -1.929) 5.443 6.238 ( -0.000 3.779 -1.451) 4.048 6.257 ( 0.000 0.352 1.345) 1.390 6.417 ( -0.000 -1.081 -10.302) 10.359 7.132 ( 0.000 -17.724 5.062) 18.433 8.264 ( -0.000 -0.108 -3.135) 3.137 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 0.907 2.259 -0.004) 2.435 1.213 ( -0.781 1.843 1.271) 2.371 1.420 ( -1.736 1.215 -5.506) 5.900 2.122 ( 2.938 9.907 -1.072) 10.389 2.396 ( 2.858 -1.557 -0.516) 3.295 3.348 ( 2.991 25.512 0.328) 25.689 5.745 ( 2.151 3.869 -3.692) 5.764 6.167 ( -6.015 2.472 -3.553) 7.410 6.332 ( 3.347 -0.093 -4.554) 5.653 6.424 ( 2.648 2.706 -0.445) 3.812 6.967 ( -1.377 -16.191 4.317) 16.813 8.225 ( -3.368 -0.219 -3.233) 4.673 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 1.991 1.769 0.080) 2.664 1.197 ( -1.641 -0.145 1.240) 2.062 1.406 ( -0.087 3.404 -4.917) 5.981 2.221 ( 1.604 2.159 0.307) 2.707 2.521 ( 9.062 6.172 1.608) 11.081 3.619 ( 3.045 18.778 -0.511) 19.030 5.809 ( 1.417 4.562 -5.295) 7.132 6.099 ( -4.650 4.363 -0.969) 6.449 6.338 ( 2.194 -2.843 -7.502) 8.317 6.532 ( 4.551 3.721 4.159) 7.201 6.812 ( -0.953 -12.397 2.720) 12.728 8.126 ( -6.328 -0.658 -4.178) 7.611 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -2.096 -2.388 -0.882) 3.297 1.254 ( 2.455 3.968 1.499) 4.900 1.450 ( 1.777 3.751 -1.367) 4.370 2.244 ( 0.709 -1.688 2.779) 3.328 2.789 ( 11.144 11.195 1.133) 15.837 3.799 ( 1.255 10.465 -0.734) 10.566 5.835 ( -2.028 6.308 -6.339) 9.170 6.069 ( -4.819 2.571 3.693) 6.593 6.329 ( 3.935 -4.073 -7.564) 9.449 6.637 ( -0.171 3.140 7.498) 8.131 6.760 ( 6.754 -5.084 -0.914) 8.503 7.986 ( -6.954 -1.308 -5.243) 8.807 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -1.285 -1.489 -0.747) 2.104 1.330 ( 1.172 4.244 0.864) 4.487 1.508 ( 1.683 1.331 0.553) 2.216 2.230 ( -1.026 -2.445 2.833) 3.880 3.093 ( 8.631 14.695 0.789) 17.060 3.857 ( -0.592 0.969 -0.545) 1.259 5.839 ( -2.580 5.013 -5.104) 7.605 6.014 ( -3.767 1.255 6.488) 7.607 6.334 ( 3.261 -3.873 -7.167) 8.774 6.662 ( -2.257 4.836 7.091) 8.875 6.879 ( 7.224 -0.163 -1.222) 7.328 7.861 ( -3.133 -2.028 -4.759) 6.048 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 0.249 -0.525 -0.315) 0.661 1.378 ( -0.897 4.400 0.726) 4.549 1.523 ( 0.344 -2.097 0.179) 2.132 2.182 ( -2.604 -1.859 1.553) 3.556 3.325 ( -1.636 16.890 0.113) 16.970 3.823 ( 2.314 -7.677 0.203) 8.021 5.802 ( -1.887 -0.812 -1.451) 2.516 6.053 ( 0.813 6.588 6.598) 9.359 6.313 ( 1.290 -3.942 -6.249) 7.500 6.703 ( -1.373 5.257 5.978) 8.078 6.924 ( -1.879 0.308 -3.605) 4.076 7.839 ( 4.058 -1.863 -2.042) 4.910 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 1.744 -0.081 -0.151) 1.753 1.376 ( -4.204 2.446 0.790) 4.927 1.499 ( 0.388 -2.340 -0.332) 2.395 2.131 ( -1.913 -0.763 0.937) 2.263 3.307 ( -14.529 8.469 -0.122) 16.817 3.840 ( 6.201 -5.021 0.449) 7.992 5.785 ( 1.323 -1.169 1.631) 2.403 6.163 ( 3.886 2.393 -0.966) 4.664 6.273 ( -1.633 0.178 1.116) 1.986 6.745 ( 0.239 1.421 2.212) 2.640 6.820 ( -8.113 0.994 -2.994) 8.705 7.921 ( 6.646 -0.981 -0.756) 6.761 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 2.251 -0.196 -0.393) 2.293 1.296 ( -5.777 -0.506 0.511) 5.821 1.498 ( 0.162 0.336 0.013) 0.373 2.123 ( 1.117 0.150 1.541) 1.909 3.065 ( -17.657 0.093 0.381) 17.661 3.875 ( -0.170 -0.432 -0.233) 0.519 5.827 ( 3.576 -1.204 1.994) 4.268 6.135 ( -2.252 -3.963 -9.296) 10.353 6.334 ( 1.956 2.792 9.115) 9.731 6.653 ( -3.810 -3.061 -7.697) 9.118 6.795 ( -1.927 4.398 5.474) 7.282 8.013 ( 5.331 -0.665 -1.839) 5.678 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.104 -0.357 -0.475) 0.603 1.199 ( -4.449 -0.421 0.257) 4.476 1.493 ( -1.374 0.635 -1.290) 1.989 2.183 ( 4.243 0.980 2.380) 4.963 2.749 ( -17.687 -2.661 0.487) 17.892 3.805 ( -8.777 1.677 -0.653) 8.960 5.857 ( 2.640 -4.616 -4.012) 6.662 6.008 ( -6.813 -1.272 -4.230) 8.120 6.356 ( 0.041 -4.697 4.035) 6.192 6.648 ( 5.465 2.850 -3.616) 7.146 6.815 ( -1.304 2.388 4.544) 5.297 8.076 ( 4.043 -0.780 -3.432) 5.361 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -5.645 1.549 -0.520) 5.876 1.162 ( -0.689 -0.688 -0.500) 1.095 1.453 ( -2.569 -0.017 -3.754) 4.549 2.255 ( -1.022 1.246 0.777) 1.789 2.459 ( -11.120 -1.891 0.653) 11.298 3.612 ( -16.804 4.011 -0.619) 17.288 5.789 ( -2.675 -4.361 -9.119) 10.456 5.873 ( -4.145 -3.570 -3.675) 6.590 6.339 ( 1.535 -2.913 3.799) 5.027 6.773 ( 1.114 5.215 -3.815) 6.557 6.859 ( 7.933 -2.058 6.441) 10.424 8.119 ( 3.630 -0.990 -4.206) 5.644 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -0.000 1.300 -0.776) 1.513 1.231 ( 0.000 -0.574 0.920) 1.084 1.424 ( -0.000 0.945 -7.386) 7.446 2.191 ( -0.000 9.655 -1.396) 9.756 2.327 ( -0.000 -4.892 -0.108) 4.894 3.572 ( 0.000 23.496 0.271) 23.497 5.727 ( -0.000 1.059 -5.225) 5.331 6.179 ( -0.000 -2.992 -15.603) 15.887 6.334 ( 0.000 4.950 4.339) 6.582 6.447 ( 0.000 4.937 3.849) 6.260 6.839 ( 0.000 -14.745 3.748) 15.214 8.249 ( -0.000 0.395 -2.462) 2.493 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 1.736 0.996 -0.619) 2.095 1.207 ( -0.747 -2.396 -0.291) 2.526 1.416 ( 0.287 2.312 -5.851) 6.298 2.229 ( -1.005 0.159 0.968) 1.404 2.397 ( 9.557 3.139 -0.351) 10.066 3.782 ( 0.154 18.487 -0.219) 18.489 5.763 ( 4.771 1.567 -4.972) 7.067 6.110 ( 1.089 -2.231 -13.747) 13.970 6.353 ( -4.448 2.701 4.102) 6.626 6.529 ( 1.894 4.770 3.297) 6.100 6.719 ( 0.234 -10.796 3.064) 11.225 8.210 ( -4.292 0.489 -2.646) 5.066 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -1.412 -2.430 -1.187) 3.051 1.230 ( 3.813 1.712 0.320) 4.192 1.449 ( 1.714 2.835 -2.017) 3.879 2.221 ( 0.740 -2.323 2.746) 3.673 2.644 ( 14.213 5.570 -0.535) 15.275 3.921 ( -1.628 12.133 -0.375) 12.247 5.859 ( 3.502 4.509 -6.146) 8.388 6.112 ( 4.893 -0.757 -8.198) 9.577 6.266 ( -6.117 -3.291 5.203) 8.679 6.599 ( 3.749 0.270 -2.893) 4.743 6.689 ( 1.301 -1.034 6.485) 6.695 8.101 ( -7.817 0.417 -3.414) 8.540 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -1.427 -1.458 -0.799) 2.191 1.320 ( 3.926 2.242 0.119) 4.523 1.499 ( 1.396 1.366 0.490) 2.014 2.219 ( 0.544 -2.306 2.321) 3.317 2.968 ( 16.847 6.546 0.051) 18.075 3.948 ( -5.283 5.203 -0.459) 7.429 5.902 ( -1.698 4.341 -6.713) 8.172 6.123 ( -3.844 1.065 4.468) 5.989 6.209 ( 4.005 -4.359 -2.771) 6.535 6.696 ( 9.384 -0.669 -1.796) 9.577 6.739 ( 1.244 2.015 4.921) 5.461 7.949 ( -8.701 0.423 -3.468) 9.376 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -0.672 -0.363 -0.247) 0.803 1.400 ( 2.815 2.382 -0.203) 3.693 1.510 ( -0.644 -1.215 0.741) 1.562 2.201 ( -1.006 -1.694 0.808) 2.129 3.319 ( 16.249 6.803 0.376) 17.620 3.839 ( -9.536 -1.311 -0.462) 9.637 5.846 ( -4.430 0.367 -2.328) 5.018 6.143 ( -1.435 5.176 6.173) 8.182 6.205 ( 3.546 -4.189 -5.275) 7.612 6.763 ( -0.419 0.597 2.885) 2.976 6.870 ( 8.433 0.423 -1.393) 8.558 7.826 ( -4.497 0.735 -1.651) 4.846 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.435 0.173 0.001) 0.469 1.458 ( -3.390 -1.144 0.034) 3.578 1.461 ( 2.211 0.572 -0.035) 2.284 2.162 ( -2.043 -0.821 0.002) 2.202 3.612 ( -13.164 -4.953 0.019) 14.065 3.627 ( 12.746 4.803 -0.018) 13.621 5.791 ( -1.942 0.831 1.058) 2.362 6.107 ( -0.332 -5.501 -5.116) 7.520 6.296 ( 3.126 5.826 5.549) 8.632 6.733 ( -1.500 -4.012 -2.611) 5.017 6.940 ( -1.309 2.058 1.133) 2.690 7.826 ( 3.143 1.262 -0.014) 3.387 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 1.453 0.140 -0.244) 1.480 1.366 ( -4.075 -3.132 -0.247) 5.146 1.506 ( 0.717 2.688 0.514) 2.830 2.129 ( -1.060 -0.024 0.679) 1.259 3.312 ( -14.416 -8.121 0.431) 16.552 3.830 ( 6.001 4.262 -0.503) 7.378 5.800 ( 0.242 1.207 3.258) 3.483 6.035 ( 2.029 -6.529 -9.197) 11.460 6.394 ( -0.871 2.947 9.034) 9.542 6.628 ( -1.777 -5.395 -8.055) 9.856 6.916 ( -4.197 2.588 4.645) 6.775 7.916 ( 5.223 1.205 -1.251) 5.504 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 1.813 -0.172 -0.848) 2.009 1.269 ( -4.188 -1.998 -0.042) 4.640 1.534 ( -1.199 3.097 0.140) 3.324 2.143 ( 2.111 0.553 2.317) 3.183 2.982 ( -15.124 -8.035 0.287) 17.129 3.908 ( -1.074 3.584 -0.682) 3.803 5.792 ( -1.014 -3.887 -1.398) 4.254 6.019 ( 2.544 -0.413 -7.320) 7.761 6.327 ( -3.968 -8.158 4.800) 10.263 6.602 ( 2.007 1.690 -2.749) 3.800 6.891 ( -2.798 1.766 4.367) 5.479 7.997 ( 3.882 0.775 -3.129) 5.046 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 0.925 -0.186 -1.371) 1.664 1.190 ( -3.529 -0.514 -0.180) 3.571 1.517 ( -4.196 3.054 -2.221) 5.645 2.221 ( 4.730 1.004 3.172) 5.783 2.661 ( -14.427 -5.878 -0.270) 15.581 3.863 ( -8.426 4.305 -0.684) 9.487 5.705 ( -0.776 -6.018 -8.107) 10.126 5.971 ( -6.976 -0.596 -4.365) 8.251 6.267 ( 3.905 -4.885 3.790) 7.313 6.668 ( 5.864 -1.206 0.333) 5.996 6.881 ( -2.033 2.094 2.611) 3.915 8.048 ( 2.912 0.339 -3.785) 4.788 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -0.000 0.792 -0.672) 1.038 1.176 ( -0.000 -3.838 -1.813) 4.244 1.414 ( -0.000 1.934 -4.902) 5.270 2.229 ( 0.000 -5.435 2.339) 5.917 2.341 ( -0.000 6.471 -1.118) 6.567 3.945 ( 0.000 14.711 -0.621) 14.724 5.704 ( -0.000 0.099 -3.920) 3.922 6.033 ( -0.000 -1.901 -13.212) 13.348 6.460 ( 0.000 4.714 3.004) 5.590 6.572 ( 0.000 4.700 2.677) 5.408 6.611 ( 0.000 -10.396 3.362) 10.926 8.248 ( -0.000 0.833 -1.921) 2.094 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -0.739 -2.028 -1.297) 2.519 1.173 ( 3.495 0.117 -0.558) 3.541 1.436 ( 1.592 1.956 -1.920) 3.170 2.189 ( 0.439 -3.686 2.449) 4.447 2.476 ( 9.435 3.921 -0.656) 10.239 4.054 ( -1.175 9.567 -0.769) 9.669 5.769 ( 7.647 1.658 -2.716) 8.282 6.000 ( 1.771 -0.620 -9.598) 9.779 6.386 ( -8.244 -2.962 3.146) 9.307 6.578 ( 0.665 1.668 -5.610) 5.890 6.655 ( 3.548 -0.125 8.781) 9.472 8.210 ( -4.766 0.868 -2.020) 5.249 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -1.052 -0.745 -0.607) 1.425 1.253 ( 5.125 0.626 -0.313) 5.173 1.484 ( 1.973 1.119 0.485) 2.320 2.184 ( 1.377 -2.339 1.391) 3.050 2.722 ( 15.842 2.445 0.004) 16.030 4.078 ( -3.891 4.202 -0.743) 5.775 5.925 ( 4.469 6.104 -5.023) 9.081 6.036 ( 7.164 -2.120 -3.606) 8.296 6.227 ( -6.377 -3.819 4.155) 8.515 6.594 ( 1.615 1.918 -3.086) 3.976 6.727 ( 2.750 -0.754 4.619) 5.428 8.100 ( -8.259 1.082 -1.768) 8.515 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -1.153 0.443 0.066) 1.237 1.341 ( 4.776 -0.037 -0.650) 4.820 1.510 ( 0.293 -0.376 0.716) 0.860 2.188 ( 0.728 -1.325 -0.506) 1.594 3.036 ( 18.874 0.069 0.338) 18.877 3.996 ( -7.809 0.125 -0.670) 7.839 5.943 ( -5.415 3.747 -3.764) 7.585 6.102 ( 2.857 -3.324 -3.019) 5.322 6.200 ( 2.194 1.783 6.148) 6.766 6.695 ( 9.671 1.188 -1.291) 9.829 6.752 ( 0.890 -2.610 1.012) 2.937 7.962 ( -8.781 1.751 0.048) 8.954 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -0.822 0.944 0.437) 1.326 1.397 ( 2.961 -2.703 -0.494) 4.040 1.498 ( -0.867 0.351 -0.406) 1.019 2.176 ( -0.645 -0.436 -1.825) 1.984 3.312 ( 15.725 -7.448 -0.409) 17.405 3.845 ( -9.106 1.877 0.123) 9.298 5.871 ( -4.795 3.246 -1.124) 5.898 6.051 ( -1.751 -6.828 -1.191) 7.149 6.314 ( 4.004 6.248 4.903) 8.895 6.704 ( -1.609 -5.805 -2.492) 6.518 6.877 ( 8.987 0.382 -1.068) 9.058 7.868 ( -4.661 2.851 2.636) 6.066 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -0.136 0.872 0.422) 0.978 1.368 ( -1.065 -4.885 -0.385) 5.014 1.516 ( 1.348 2.175 -0.502) 2.608 2.152 ( -1.347 0.455 -1.668) 2.192 3.320 ( -0.477 -16.567 -0.376) 16.578 3.823 ( 1.120 7.234 0.228) 7.324 5.856 ( -1.766 4.571 2.132) 5.344 5.934 ( -1.795 -8.127 -3.176) 8.908 6.450 ( 1.763 4.311 7.478) 8.810 6.577 ( -2.599 -7.395 -7.031) 10.529 6.960 ( 1.525 -0.734 -0.062) 1.694 7.881 ( 1.118 3.307 2.378) 4.224 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 0.584 0.495 0.011) 0.766 1.294 ( -2.161 -3.697 -0.168) 4.286 1.567 ( 1.566 2.827 0.251) 3.242 2.138 ( -0.386 0.918 -0.248) 1.027 3.076 ( -8.372 -14.504 0.240) 16.748 3.928 ( 2.734 4.582 -0.351) 5.347 5.793 ( -3.811 -6.560 0.690) 7.618 5.940 ( 4.276 4.174 -2.517) 6.484 6.346 ( -6.778 -9.995 1.159) 12.132 6.583 ( 2.129 2.694 -0.965) 3.567 6.945 ( -1.481 -0.955 1.241) 2.155 7.952 ( 2.590 2.656 -0.131) 3.713 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.992 0.045 -0.687) 1.207 1.228 ( -2.282 -2.063 -0.108) 3.078 1.609 ( -1.427 4.365 -0.636) 4.636 2.166 ( 2.814 0.405 1.771) 3.349 2.792 ( -10.205 -10.535 -0.203) 14.669 3.981 ( -1.322 3.648 -0.283) 3.890 5.668 ( -3.213 -5.648 -3.083) 7.192 6.043 ( -0.734 4.326 -4.342) 6.173 6.165 ( 0.175 -8.614 3.755) 9.398 6.603 ( 0.317 -2.273 0.317) 2.317 6.927 ( -0.774 0.896 1.031) 1.570 8.008 ( 1.917 1.758 -1.561) 3.033 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -0.000 -1.238 -1.064) 1.632 1.139 ( 0.000 0.421 0.018) 0.421 1.435 ( 0.000 1.619 -0.048) 1.620 2.155 ( 0.000 -3.176 1.809) 3.656 2.426 ( 0.000 2.538 0.094) 2.540 4.133 ( -0.000 5.110 -1.065) 5.220 5.698 ( -0.000 0.861 -0.456) 0.974 5.974 ( -0.000 2.282 -6.430) 6.823 6.458 ( -0.000 -4.153 -5.158) 6.622 6.529 ( -0.000 1.190 -0.160) 1.200 6.667 ( 0.000 1.088 7.730) 7.806 8.254 ( -0.000 0.730 -1.716) 1.865 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -0.523 0.800 0.008) 0.956 1.177 ( 3.709 0.198 0.081) 3.716 1.466 ( 1.440 1.034 1.988) 2.664 2.146 ( 0.992 -1.261 0.593) 1.711 2.521 ( 9.156 0.447 0.786) 9.200 4.143 ( -1.604 0.235 -1.096) 1.957 5.795 ( 9.372 1.434 0.836) 9.518 5.998 ( 0.494 4.520 -2.497) 5.188 6.321 ( -7.679 -2.310 -3.432) 8.722 6.577 ( 2.852 0.151 -4.777) 5.566 6.696 ( 0.666 -1.106 7.930) 8.034 8.216 ( -4.555 0.721 -1.463) 4.838 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -1.194 1.730 0.515) 2.164 1.250 ( 4.812 -0.688 -0.575) 4.895 1.498 ( 0.882 -0.372 2.007) 2.223 2.159 ( 1.099 0.027 -1.228) 1.648 2.733 ( 15.518 -1.893 1.121) 15.673 4.074 ( -3.896 -3.930 -1.115) 5.645 5.984 ( 9.039 -1.375 0.888) 9.186 6.058 ( -1.560 8.331 -2.680) 8.890 6.184 ( -2.454 -1.695 1.427) 3.306 6.602 ( 2.995 -0.170 -4.005) 5.004 6.711 ( 0.728 -2.611 4.522) 5.272 8.118 ( -7.370 1.156 0.022) 7.460 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -1.568 1.941 0.781) 2.615 1.308 ( 3.916 -2.784 -1.103) 4.930 1.500 ( -0.008 -1.024 0.605) 1.189 2.170 ( 0.343 0.824 -2.800) 2.939 2.969 ( 15.855 -7.140 0.109) 17.389 3.948 ( -4.748 -4.622 -0.440) 6.641 5.990 ( -6.231 2.365 -7.417) 9.972 6.029 ( -0.885 -3.768 6.941) 7.947 6.295 ( 6.165 5.518 3.333) 8.920 6.647 ( 2.107 -5.836 -3.707) 7.228 6.731 ( 5.698 1.359 1.470) 6.040 8.010 ( -7.182 2.082 2.790) 7.982 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -1.454 1.660 0.885) 2.378 1.311 ( 1.516 -5.050 -1.095) 5.385 1.500 ( 1.175 -0.371 -0.294) 1.267 2.171 ( -0.604 1.758 -3.374) 3.852 3.077 ( 8.853 -14.972 -0.880) 17.416 3.867 ( -0.732 -0.819 0.568) 1.237 5.892 ( -3.662 -2.656 -4.413) 6.320 5.973 ( -4.015 -0.515 7.377) 8.415 6.456 ( 4.882 6.290 2.047) 8.221 6.543 ( -3.865 -8.190 -2.061) 9.288 6.869 ( 6.912 0.025 -2.393) 7.314 7.952 ( -3.734 3.133 4.648) 6.735 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -0.926 1.238 0.917) 1.797 1.271 ( 0.039 -4.651 -0.355) 4.664 1.535 ( 3.340 -0.165 0.106) 3.346 2.167 ( -1.219 2.681 -2.926) 4.151 2.984 ( 0.358 -17.326 -0.097) 17.330 3.903 ( 3.759 0.839 0.290) 3.863 5.779 ( -3.384 -6.752 1.639) 7.728 5.968 ( -0.409 3.680 3.735) 5.259 6.363 ( -6.500 -8.340 -2.826) 10.945 6.581 ( 2.258 4.346 1.796) 5.217 6.923 ( 1.999 -1.715 -2.574) 3.683 7.967 ( -0.273 3.328 3.501) 4.839 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 0.000 2.794 0.785) 2.903 1.146 ( 0.000 -0.026 0.669) 0.670 1.474 ( 0.000 1.007 4.202) 4.321 2.138 ( 0.000 1.156 -0.049) 1.157 2.438 ( 0.000 -1.871 1.292) 2.274 4.132 ( -0.000 -4.565 -1.161) 4.711 5.733 ( 0.000 1.669 3.222) 3.628 6.048 ( 0.000 6.888 1.087) 6.973 6.378 ( -0.000 0.172 -9.762) 9.764 6.499 ( -0.000 -3.091 -3.442) 4.627 6.712 ( 0.000 -1.336 8.920) 9.019 8.255 ( -0.000 0.437 -1.653) 1.710 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -0.730 2.075 0.775) 2.333 1.180 ( 2.492 0.271 0.171) 2.512 1.497 ( 0.064 -0.027 4.462) 4.462 2.158 ( -0.094 2.639 -0.919) 2.796 2.497 ( 9.399 -3.671 1.575) 10.213 4.049 ( -1.304 -9.199 -1.241) 9.373 5.831 ( 7.606 0.648 4.035) 8.634 6.142 ( 1.075 9.288 4.059) 10.193 6.265 ( -7.404 -0.278 -7.670) 10.664 6.506 ( 4.137 -3.540 -7.044) 8.904 6.718 ( -0.681 -1.306 8.442) 8.569 8.221 ( -3.843 0.616 -0.957) 4.008 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -1.406 2.251 0.627) 2.727 1.218 ( 2.963 -2.273 -0.931) 3.849 1.496 ( -0.571 -1.345 2.822) 3.178 2.176 ( -0.233 2.664 -1.892) 3.276 2.654 ( 13.217 -6.815 0.467) 14.878 3.917 ( -1.285 -11.479 -0.798) 11.578 5.957 ( 5.316 -3.221 4.561) 7.710 6.115 ( -7.130 0.256 -6.656) 9.758 6.294 ( 3.485 9.994 5.698) 12.021 6.515 ( 4.352 -4.439 -6.542) 9.025 6.722 ( -0.431 0.583 5.593) 5.639 8.145 ( -5.834 1.249 1.146) 6.075 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -1.897 1.559 0.328) 2.477 1.224 ( 2.270 -4.714 -1.643) 5.484 1.480 ( -0.017 -1.699 1.712) 2.412 2.192 ( -0.385 3.054 -2.630) 4.048 2.766 ( 10.726 -12.876 -1.266) 16.805 3.810 ( 1.774 -9.695 0.436) 9.866 5.937 ( -4.311 -4.121 2.952) 6.655 6.014 ( -1.795 -2.428 -0.446) 3.052 6.460 ( 3.095 8.498 -1.766) 9.215 6.504 ( 0.868 -5.191 1.718) 5.536 6.777 ( 3.719 2.793 0.394) 4.668 8.071 ( -5.297 2.165 3.674) 6.800 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -1.177 0.340 0.438) 1.301 1.204 ( 1.665 -4.619 -0.849) 4.983 1.479 ( 1.640 -1.947 1.647) 3.032 2.208 ( -0.767 3.873 -3.026) 4.974 2.755 ( 6.029 -16.712 -0.891) 17.789 3.799 ( 5.862 -6.822 0.765) 9.027 5.815 ( -5.855 -4.227 5.233) 8.918 5.977 ( 0.710 -4.037 2.311) 4.706 6.394 ( -4.738 -3.786 -3.972) 7.250 6.611 ( 1.857 7.485 4.030) 8.701 6.854 ( 3.088 0.411 -3.716) 4.849 8.039 ( -2.923 2.873 4.659) 6.205 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.000 -0.712 0.788) 1.062 1.191 ( 0.000 2.573 -0.180) 2.579 1.514 ( 0.000 -0.248 5.417) 5.423 2.206 ( 0.000 5.785 -0.054) 5.785 2.367 ( 0.000 -6.380 1.555) 6.567 3.938 ( -0.000 -14.531 -1.328) 14.591 5.791 ( 0.000 1.162 5.370) 5.494 6.243 ( 0.000 9.794 7.733) 12.479 6.327 ( -0.000 1.169 -13.102) 13.154 6.381 ( -0.000 -5.568 -5.376) 7.739 6.743 ( 0.000 -0.162 8.450) 8.451 8.254 ( -0.000 0.602 -1.393) 1.518 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 1.380 -1.420 0.335) 2.008 1.199 ( -0.967 0.932 -1.083) 1.725 1.510 ( -1.223 -1.411 3.916) 4.339 2.223 ( -2.145 2.573 0.440) 3.378 2.405 ( 8.856 -5.247 0.405) 10.301 3.773 ( 0.470 -18.166 -1.081) 18.205 5.854 ( 4.456 -1.779 4.549) 6.612 6.207 ( -6.383 -1.129 -6.606) 9.255 6.367 ( 2.332 4.950 -6.436) 8.448 6.392 ( 3.329 1.275 6.472) 7.389 6.769 ( -0.913 2.901 5.649) 6.416 8.232 ( -3.004 1.037 -0.451) 3.210 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.635 -4.512 -1.991) 4.973 1.179 ( -0.929 0.522 -0.558) 1.203 1.480 ( -1.158 -2.094 2.840) 3.714 2.221 ( -0.044 0.785 0.367) 0.867 2.487 ( 7.889 -8.417 -1.885) 11.689 3.625 ( 3.934 -18.088 0.076) 18.512 5.888 ( 2.865 -6.964 2.760) 8.021 6.076 ( -6.554 -0.525 -2.353) 6.983 6.393 ( 4.012 -1.937 -7.986) 9.144 6.526 ( 2.276 6.360 10.004) 12.071 6.810 ( -1.038 7.153 1.419) 7.366 8.182 ( -4.383 1.738 1.591) 4.976 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 0.879 -6.192 -2.598) 6.772 1.173 ( -0.253 -0.367 0.077) 0.452 1.457 ( -0.159 -2.119 3.069) 3.733 2.235 ( 0.939 0.315 -0.103) 0.996 2.493 ( 5.755 -11.750 -2.195) 13.266 3.570 ( 8.671 -15.401 0.783) 17.691 5.847 ( 0.914 -8.690 3.950) 9.590 5.960 ( -5.931 -1.292 1.835) 6.342 6.395 ( -0.019 -1.713 -4.762) 5.061 6.650 ( 3.709 4.341 6.650) 8.765 6.867 ( -2.020 8.484 -3.097) 9.254 8.138 ( -3.940 2.437 3.527) 5.822 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -0.000 -1.806 0.158) 1.813 1.205 ( -0.000 -0.558 -1.915) 1.995 1.516 ( 0.000 -2.293 2.457) 3.361 2.208 ( -0.000 -10.478 0.355) 10.484 2.343 ( 0.000 6.863 1.629) 7.054 3.557 ( -0.000 -23.445 -1.190) 23.475 5.808 ( 0.000 -3.240 2.905) 4.352 6.257 ( -0.000 -0.703 -11.250) 11.272 6.262 ( -0.000 -2.601 -2.881) 3.881 6.479 ( 0.000 6.783 11.604) 13.440 6.842 ( 0.000 7.639 3.296) 8.320 8.265 ( -0.000 1.256 -0.883) 1.535 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -0.536 -3.816 -1.513) 4.140 1.181 ( -0.349 -1.771 -2.109) 2.776 1.482 ( -1.018 -3.188 1.225) 3.564 2.130 ( 3.588 -11.292 -0.240) 11.851 2.408 ( 0.016 3.795 0.804) 3.880 3.342 ( 3.884 -25.287 -0.395) 25.587 5.780 ( 1.686 -7.325 -0.305) 7.523 6.165 ( -4.520 0.045 -2.809) 5.322 6.293 ( 3.702 -0.258 -4.814) 6.078 6.572 ( 1.129 2.782 10.582) 10.999 6.935 ( -1.391 12.401 0.856) 12.508 8.257 ( -2.245 1.690 0.043) 2.811 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -1.315 -7.664 -4.197) 8.836 1.161 ( 0.449 -1.987 -0.736) 2.166 1.445 ( -0.039 -3.007 1.794) 3.502 2.096 ( 6.054 -12.961 -0.320) 14.309 2.420 ( -1.277 1.639 0.131) 2.082 3.220 ( 10.112 -23.354 0.403) 25.452 5.722 ( 2.115 -9.697 -0.986) 9.974 6.082 ( -6.046 0.860 2.866) 6.745 6.346 ( 3.060 0.808 -3.979) 5.084 6.635 ( 2.105 -0.066 7.408) 7.701 7.028 ( -3.405 14.028 -1.562) 14.520 8.231 ( -3.233 2.176 1.741) 4.268 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -0.000 -3.761 -1.448) 4.030 1.144 ( -0.000 -4.174 -3.548) 5.478 1.452 ( -0.000 -4.715 -0.833) 4.788 1.970 ( -0.000 -13.125 -1.835) 13.252 2.458 ( 0.000 3.120 1.720) 3.563 3.031 ( -0.000 -29.554 -0.164) 29.554 5.688 ( -0.000 -8.165 -2.556) 8.555 6.182 ( -0.000 -0.849 -6.554) 6.609 6.270 ( 0.000 2.739 2.602) 3.778 6.609 ( 0.000 0.630 8.762) 8.785 7.087 ( 0.000 15.226 0.695) 15.242 8.292 ( -0.000 1.723 -0.311) 1.751 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -4.394 -8.344 -5.641) 10.988 1.109 ( 1.875 -4.284 -1.900) 5.048 1.401 ( 0.697 -5.292 -0.562) 5.367 1.870 ( 4.063 -13.504 -2.060) 14.252 2.466 ( -1.308 0.663 1.152) 1.865 2.804 ( 7.829 -29.278 0.487) 30.310 5.600 ( 0.680 -8.883 -3.051) 9.417 6.159 ( -1.128 0.786 -1.678) 2.169 6.318 ( 1.087 3.068 1.883) 3.760 6.631 ( 0.260 -1.051 6.010) 6.107 7.222 ( -2.400 15.702 -0.393) 15.889 8.294 ( -1.553 1.780 0.441) 2.403 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -0.000 -7.864 -4.793) 9.210 0.993 ( -0.000 -8.473 -6.591) 10.735 1.322 ( -0.000 -8.098 -1.021) 8.162 1.699 ( -0.000 -12.228 -3.047) 12.602 2.416 ( -0.000 -26.150 1.100) 26.173 2.489 ( -0.000 -7.314 0.315) 7.321 5.504 ( -0.000 -7.924 -3.792) 8.785 6.159 ( -0.000 1.023 -1.128) 1.523 6.363 ( 0.000 4.104 3.929) 5.682 6.633 ( 0.000 -1.598 3.546) 3.890 7.399 ( 0.000 15.930 -0.001) 15.930 8.321 ( 0.000 1.183 0.043) 1.184 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( 0.000 -0.000 19.600) 19.600 0.373 ( 0.000 -0.000 19.600) 19.600 0.647 ( 0.000 -0.000 35.273) 35.273 1.352 ( -0.000 0.000 -1.048) 1.048 1.352 ( -0.000 0.000 -1.048) 1.048 3.133 ( -0.000 0.000 -8.225) 8.225 5.267 ( 0.000 -0.000 2.965) 2.965 5.267 ( 0.000 -0.000 2.965) 2.965 6.519 ( -0.000 0.000 -2.023) 2.023 6.519 ( -0.000 0.000 -2.023) 2.023 8.082 ( 0.000 -0.000 0.724) 0.724 8.385 ( -0.000 0.000 -0.449) 0.449 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 4.547 2.625 13.846) 14.807 0.445 ( 0.352 0.203 20.030) 20.034 1.057 ( 16.446 9.495 18.472) 26.492 1.366 ( 2.138 1.234 -1.411) 2.843 1.514 ( 14.314 8.264 1.222) 16.574 2.649 ( -19.106 -11.031 10.982) 24.644 5.280 ( 1.192 0.688 2.424) 2.788 5.844 ( 25.311 14.613 -19.788) 35.295 6.452 ( -4.013 -2.317 -3.975) 6.106 6.520 ( -0.495 -0.286 -1.389) 1.502 8.036 ( -6.552 -3.783 3.927) 8.524 8.293 ( -3.091 -1.784 0.051) 3.569 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 5.718 3.301 8.359) 10.651 0.593 ( 10.841 6.259 5.201) 13.555 1.322 ( 5.430 3.135 6.064) 8.723 1.445 ( 5.533 3.195 -1.212) 6.503 1.987 ( 23.895 13.796 5.396) 28.114 2.422 ( -4.893 -2.825 1.139) 5.763 5.332 ( 2.864 1.654 1.383) 3.585 6.134 ( 3.092 1.785 -6.421) 7.347 6.369 ( 2.186 1.262 -10.840) 11.130 6.492 ( -1.549 -0.894 -0.805) 1.962 7.832 ( -11.734 -6.775 7.082) 15.288 8.261 ( -0.668 -0.386 -3.683) 3.763 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 7.027 4.057 -0.316) 8.120 0.834 ( 8.991 5.191 1.364) 10.472 1.393 ( 0.242 0.140 1.833) 1.854 1.617 ( 9.998 5.772 -0.768) 11.570 2.357 ( 1.950 1.126 -6.373) 6.759 2.564 ( 22.612 13.055 5.135) 26.610 5.415 ( 4.251 2.454 -0.145) 4.911 5.998 ( -9.403 -5.429 -4.998) 11.953 6.451 ( -1.858 -1.073 -0.002) 2.146 6.503 ( 8.900 5.139 -8.399) 13.273 7.572 ( -13.098 -7.562 6.047) 16.288 8.218 ( -2.095 -1.209 -3.979) 4.657 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 8.043 4.644 -3.611) 9.965 0.996 ( 5.431 3.135 -0.267) 6.277 1.363 ( -2.197 -1.269 -2.084) 3.283 1.876 ( 12.640 7.297 -0.763) 14.615 2.386 ( 2.017 1.165 -3.868) 4.515 3.078 ( 21.380 12.344 1.601) 24.739 5.519 ( 5.236 3.023 -1.997) 6.367 5.760 ( -9.464 -5.464 -6.175) 12.551 6.414 ( -1.547 -0.893 1.322) 2.223 6.667 ( 7.255 4.189 -5.623) 10.089 7.281 ( -13.986 -8.075 3.888) 16.611 8.152 ( -2.619 -1.512 -2.939) 4.218 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 6.018 3.475 -1.993) 7.230 1.089 ( 3.188 1.841 -0.767) 3.760 1.324 ( 1.237 0.714 -4.978) 5.179 2.151 ( 11.549 6.668 -1.221) 13.391 2.402 ( -0.459 -0.265 -0.913) 1.056 3.520 ( 17.290 9.982 0.564) 19.973 5.565 ( -5.760 -3.326 -5.064) 8.359 5.634 ( 5.624 3.247 -3.882) 7.566 6.390 ( -1.177 -0.680 3.185) 3.463 6.776 ( 2.823 1.630 -6.545) 7.312 6.987 ( -11.602 -6.699 3.509) 13.849 8.094 ( -1.813 -1.047 -1.024) 2.330 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -0.326 -0.188 -0.959) 1.031 1.142 ( 1.831 1.057 -0.824) 2.269 1.438 ( 8.871 5.121 -5.189) 11.482 2.348 ( -4.297 -2.481 0.464) 4.984 2.369 ( 7.960 4.596 -1.632) 9.335 3.848 ( 11.457 6.615 0.857) 13.257 5.490 ( 0.174 0.101 -1.164) 1.181 5.744 ( 5.338 3.082 -5.279) 8.115 6.375 ( -1.438 -0.830 5.062) 5.328 6.638 ( -9.911 -5.722 -4.010) 12.126 6.916 ( 1.504 0.868 -0.235) 1.753 8.068 ( -0.495 -0.286 1.332) 1.449 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 0.376 0.217 -0.232) 0.492 1.169 ( 0.780 0.450 -0.719) 1.152 1.613 ( 6.804 3.928 -5.277) 9.464 2.232 ( -5.172 -2.986 0.246) 5.977 2.491 ( 3.181 1.837 -1.699) 4.047 4.031 ( 4.360 2.517 1.673) 5.305 5.558 ( 4.719 2.725 5.042) 7.424 5.838 ( 4.364 2.520 -5.592) 7.528 6.349 ( -2.478 -1.431 6.087) 6.726 6.447 ( -5.120 -2.956 -3.366) 6.803 6.941 ( 0.761 0.439 -2.007) 2.191 8.077 ( 0.521 0.301 3.428) 3.480 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 1.800 1.039 1.010) 2.310 1.174 ( -0.180 -0.104 -0.501) 0.542 1.666 ( -1.106 -0.638 -3.425) 3.655 2.175 ( 1.242 0.717 -1.755) 2.267 2.500 ( -1.949 -1.126 -1.317) 2.608 4.047 ( -3.578 -2.066 2.364) 4.760 5.701 ( 5.148 2.972 11.838) 13.246 5.900 ( 2.274 1.313 -4.252) 4.997 6.301 ( -3.211 -1.854 5.317) 6.482 6.411 ( 3.177 1.834 -5.426) 6.550 6.935 ( -0.665 -0.384 -2.553) 2.665 8.109 ( 1.184 0.683 4.676) 4.872 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -1.151 -0.664 -0.127) 1.335 1.160 ( 1.138 0.657 1.815) 2.241 1.588 ( -4.185 -2.416 0.857) 4.908 2.256 ( 5.656 3.265 -3.319) 7.326 2.398 ( -6.758 -3.902 -0.443) 7.816 3.881 ( -11.818 -6.823 2.298) 13.839 5.850 ( 4.404 2.542 16.186) 16.966 5.900 ( -1.998 -1.153 -0.519) 2.364 6.253 ( -1.456 -0.841 1.723) 2.408 6.536 ( 8.888 5.131 -8.858) 13.557 6.901 ( -1.422 -0.821 -2.566) 3.046 8.157 ( 1.815 1.048 4.870) 5.302 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -2.324 -1.341 0.533) 2.736 1.163 ( -1.635 -0.944 2.816) 3.391 1.511 ( -3.266 -1.885 2.824) 4.711 2.202 ( -10.442 -6.029 0.913) 12.092 2.379 ( 5.429 3.134 -2.012) 6.584 3.534 ( -19.347 -11.170 1.236) 22.375 5.807 ( -6.263 -3.616 3.052) 7.850 5.996 ( 4.082 2.357 15.608) 16.304 6.255 ( 1.523 0.879 -2.189) 2.809 6.685 ( 4.515 2.607 -10.391) 11.625 6.904 ( 4.716 2.723 -2.459) 5.975 8.218 ( 2.324 1.342 3.982) 4.802 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -4.072 -2.351 1.872) 5.060 1.105 ( -4.412 -2.547 4.936) 7.093 1.440 ( -4.093 -2.363 1.761) 5.044 1.950 ( -11.989 -6.922 2.424) 14.055 2.467 ( 2.321 1.340 -0.375) 2.706 3.032 ( -24.966 -14.414 -0.413) 28.831 5.657 ( -7.575 -4.374 3.998) 9.618 6.110 ( 2.374 1.371 9.305) 9.700 6.299 ( 3.028 1.748 -3.720) 5.105 6.676 ( -1.166 -0.673 -5.917) 6.068 7.107 ( 12.306 7.105 -3.471) 14.627 8.280 ( 2.186 1.262 2.179) 3.335 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 0.000 12.403 8.214) 14.876 0.697 ( 0.000 10.879 13.834) 17.600 1.045 ( 0.000 12.974 25.297) 28.430 1.394 ( -0.000 4.558 -0.525) 4.588 1.467 ( 0.000 12.795 -0.584) 12.808 2.687 ( 0.000 -20.537 6.865) 21.654 5.331 ( 0.000 3.510 3.941) 5.277 5.742 ( -0.000 25.939 -16.619) 30.806 6.460 ( -0.000 -3.165 -3.151) 4.466 6.512 ( -0.000 -0.083 -2.922) 2.923 8.038 ( 0.000 -7.997 3.454) 8.712 8.295 ( -0.000 -3.743 -0.343) 3.759 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 2.603 15.452 2.079) 15.807 0.731 ( -7.855 11.471 14.592) 20.155 1.277 ( 5.203 4.732 9.449) 11.779 1.448 ( 0.946 7.821 -0.670) 7.906 1.803 ( 17.401 18.519 5.374) 25.973 2.486 ( -6.010 -7.020 1.821) 9.419 5.362 ( -1.242 5.178 3.089) 6.156 6.018 ( 10.683 10.503 -10.761) 18.446 6.369 ( -4.345 -2.988 -5.386) 7.537 6.501 ( -0.344 -0.295 -3.316) 3.347 7.900 ( -5.299 -12.913 6.238) 15.289 8.264 ( -0.826 0.082 -3.305) 3.408 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -1.820 9.135 7.768) 12.128 0.841 ( 2.352 12.977 1.475) 13.270 1.379 ( 2.047 0.450 3.251) 3.868 1.579 ( 4.246 10.597 -0.206) 11.418 2.294 ( 12.040 12.185 -2.916) 17.377 2.419 ( 6.407 6.380 2.849) 9.480 5.419 ( 0.559 5.990 1.856) 6.296 6.085 ( -6.490 -3.084 -3.482) 7.984 6.357 ( 7.616 2.867 -7.757) 11.243 6.478 ( -0.685 0.533 -3.941) 4.036 7.673 ( -8.340 -13.149 6.130) 16.734 8.230 ( -1.873 -0.525 -4.167) 4.599 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 1.751 7.765 3.067) 8.530 0.990 ( 2.526 8.523 -0.947) 8.940 1.377 ( -1.472 -1.729 -0.809) 2.410 1.798 ( 7.976 12.566 0.013) 14.884 2.357 ( 1.477 2.460 -4.478) 5.318 2.877 ( 19.571 16.589 1.921) 25.728 5.504 ( 1.766 6.520 0.195) 6.758 5.875 ( -10.727 -3.502 -4.500) 12.148 6.425 ( -0.207 -1.020 -0.253) 1.071 6.550 ( 8.298 3.722 -7.072) 11.521 7.406 ( -10.470 -12.203 4.287) 16.641 8.167 ( -2.561 -1.935 -3.618) 4.837 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 4.794 6.204 1.248) 7.940 1.088 ( 1.498 5.438 -1.117) 5.750 1.322 ( -1.593 -0.570 -3.816) 4.174 2.067 ( 8.919 11.918 -0.630) 14.899 2.397 ( 1.114 1.808 -1.263) 2.471 3.343 ( 17.236 13.762 0.440) 22.060 5.585 ( -0.034 2.890 -2.760) 3.996 5.685 ( -6.839 3.118 -2.764) 8.009 6.408 ( -0.772 -0.562 1.183) 1.521 6.688 ( 6.528 1.357 -6.051) 9.004 7.120 ( -11.267 -9.655 2.717) 15.084 8.097 ( -1.576 -2.831 -2.152) 3.890 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 1.279 1.635 0.396) 2.113 1.134 ( 0.602 2.172 -0.507) 2.310 1.354 ( 5.036 5.466 -4.313) 8.593 2.288 ( 5.453 4.885 -0.873) 7.373 2.417 ( -0.972 5.257 -0.114) 5.347 3.716 ( 13.183 9.281 0.733) 16.139 5.521 ( -3.170 1.346 -1.533) 3.770 5.733 ( 1.278 8.512 -2.901) 9.083 6.391 ( -1.089 -1.664 3.339) 3.886 6.702 ( -3.255 -4.147 -6.397) 8.290 6.923 ( -3.426 -1.668 1.746) 4.192 8.055 ( 0.472 -2.842 0.075) 2.882 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -0.317 -0.390 -0.419) 0.654 1.170 ( 0.453 2.366 -0.454) 2.452 1.512 ( 7.259 4.786 -4.095) 9.610 2.276 ( -3.696 -3.997 0.369) 5.457 2.518 ( 0.603 10.843 -1.828) 11.013 3.963 ( 7.746 4.030 1.654) 8.887 5.547 ( 2.240 4.839 3.320) 6.281 5.828 ( 1.497 8.072 -4.124) 9.187 6.339 ( -2.288 -5.948 4.272) 7.672 6.557 ( -6.452 0.190 -2.872) 7.065 6.918 ( 1.004 -0.068 -1.847) 2.103 8.057 ( 2.044 -2.122 2.454) 3.834 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 1.592 0.414 0.316) 1.675 1.187 ( -0.660 1.863 -0.427) 2.022 1.623 ( 3.580 0.175 -4.686) 5.900 2.176 ( -2.663 -2.343 -0.373) 3.567 2.582 ( -3.767 8.342 -1.822) 9.333 4.060 ( 1.106 -0.968 2.388) 2.804 5.686 ( 5.028 5.414 8.745) 11.448 5.912 ( 0.595 8.042 -4.350) 9.162 6.257 ( -0.049 -6.903 3.417) 7.702 6.484 ( -4.662 4.240 -1.447) 6.466 6.917 ( 0.511 -1.413 -3.140) 3.481 8.091 ( 2.521 -1.224 4.056) 4.930 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 2.260 0.549 1.052) 2.553 1.181 ( -1.634 0.991 -0.102) 1.914 1.606 ( -1.411 -3.172 -2.183) 4.101 2.172 ( 3.667 0.026 -2.037) 4.195 2.540 ( -8.591 5.425 -1.170) 10.228 3.991 ( -6.796 -4.988 2.431) 8.774 5.846 ( 4.684 3.355 12.579) 13.836 5.959 ( -2.803 6.095 -2.046) 7.014 6.241 ( 2.272 -3.782 3.658) 5.732 6.479 ( 0.614 5.805 -5.852) 8.266 6.889 ( -0.264 -2.435 -3.553) 4.315 8.139 ( 2.584 -0.540 4.427) 5.154 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -2.568 -0.740 0.562) 2.731 1.172 ( 0.593 -0.315 1.573) 1.710 1.541 ( -2.113 -2.641 0.696) 3.453 2.247 ( 3.975 -1.145 -2.070) 4.625 2.410 ( -9.610 3.414 -0.133) 10.199 3.747 ( -15.468 -7.637 1.615) 17.326 5.900 ( -6.004 0.694 0.434) 6.059 5.999 ( 3.983 1.895 14.307) 14.971 6.251 ( -0.165 0.702 1.850) 1.985 6.589 ( 6.872 5.650 -10.594) 13.834 6.854 ( 1.046 -1.843 -2.976) 3.654 8.193 ( 2.808 -0.164 3.587) 4.558 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -3.580 -3.896 2.459) 5.834 1.162 ( -1.903 -0.558 2.017) 2.829 1.483 ( -2.807 -2.045 0.876) 3.582 2.125 ( -12.715 -2.600 0.922) 13.011 2.416 ( 4.080 1.265 -0.799) 4.345 3.338 ( -23.562 -8.740 0.331) 25.133 5.766 ( -8.379 -2.706 2.562) 9.170 6.111 ( 3.013 0.401 9.093) 9.588 6.272 ( 0.819 2.305 -0.499) 2.497 6.661 ( 0.556 1.143 -8.941) 9.031 6.951 ( 10.876 3.817 -2.430) 11.779 8.249 ( 2.922 -0.137 1.790) 3.429 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 0.000 16.429 -0.468) 16.436 0.927 ( 0.000 6.229 6.639) 9.103 1.329 ( 0.000 5.377 10.908) 12.161 1.533 ( 0.000 9.564 0.591) 9.582 1.872 ( 0.000 25.693 5.809) 26.341 2.472 ( -0.000 -5.431 -1.404) 5.610 5.445 ( 0.000 5.659 3.423) 6.614 6.006 ( -0.000 11.266 -7.560) 13.567 6.368 ( -0.000 -4.071 -3.039) 5.080 6.480 ( -0.000 -0.425 -6.961) 6.974 7.815 ( 0.000 -16.446 6.209) 17.579 8.264 ( -0.000 0.601 -3.883) 3.930 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -1.077 12.053 0.140) 12.102 0.971 ( -2.027 7.173 4.226) 8.569 1.387 ( -0.441 1.970 5.302) 5.674 1.649 ( 1.591 12.241 0.468) 12.353 2.259 ( 10.450 24.004 2.864) 26.336 2.417 ( -0.205 0.977 -2.911) 3.077 5.501 ( -0.993 6.933 2.509) 7.440 6.114 ( 1.321 3.536 -2.580) 4.573 6.293 ( -0.870 -0.782 -4.847) 4.986 6.459 ( 0.753 -0.826 -7.603) 7.685 7.638 ( -3.306 -17.159 6.043) 18.490 8.245 ( -1.472 0.166 -4.327) 4.574 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -2.445 7.801 3.895) 9.056 1.050 ( 0.494 8.457 -1.051) 8.536 1.383 ( -1.495 -1.126 0.223) 1.885 1.832 ( 4.536 14.111 0.418) 14.828 2.368 ( -0.507 3.503 -3.512) 4.986 2.767 ( 15.389 21.569 1.386) 26.532 5.571 ( -0.141 7.837 1.423) 7.967 6.010 ( -9.250 -1.744 -2.911) 9.853 6.375 ( 5.768 1.666 -1.375) 6.160 6.452 ( 2.943 0.754 -8.356) 8.891 7.415 ( -5.617 -16.295 4.763) 17.882 8.187 ( -3.180 -1.262 -4.294) 5.491 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.174 7.532 4.038) 8.548 1.126 ( 0.393 5.736 -1.009) 5.837 1.332 ( -1.797 -0.893 -3.655) 4.169 2.063 ( 6.409 13.067 -0.503) 14.563 2.408 ( 0.990 4.654 0.456) 4.780 3.220 ( 14.948 17.696 -0.399) 23.168 5.638 ( -1.251 5.912 -1.218) 6.165 5.845 ( -8.449 3.424 -1.264) 9.204 6.405 ( 0.570 -0.534 -2.311) 2.440 6.563 ( 7.556 1.769 -4.603) 9.023 7.171 ( -6.874 -13.636 2.999) 15.562 8.096 ( -3.294 -2.954 -3.867) 5.876 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -0.112 4.092 3.220) 5.208 1.153 ( -0.370 1.775 0.009) 1.813 1.337 ( 2.324 5.311 -3.980) 7.032 2.255 ( 4.331 5.088 -0.648) 6.712 2.498 ( 0.963 10.525 1.833) 10.727 3.599 ( 12.647 11.850 -0.219) 17.333 5.606 ( -4.730 3.266 -2.463) 6.254 5.833 ( -2.281 9.598 0.647) 9.887 6.401 ( -0.229 -0.522 -0.481) 0.746 6.646 ( 2.582 -2.025 -4.043) 5.207 6.971 ( -4.433 -6.376 1.517) 7.912 8.012 ( -0.775 -4.253 -2.614) 5.052 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -1.474 -1.046 -0.108) 1.811 1.199 ( 0.075 4.243 0.877) 4.334 1.455 ( 4.693 5.692 -1.883) 7.614 2.286 ( -1.292 -2.586 0.977) 3.052 2.647 ( -0.057 15.771 -0.657) 15.785 3.868 ( 9.092 5.168 1.002) 10.506 5.598 ( -0.933 6.350 1.092) 6.510 5.899 ( -0.657 8.109 -0.451) 8.148 6.363 ( -3.589 -2.224 2.289) 4.803 6.601 ( -1.453 -2.309 -3.441) 4.392 6.914 ( -0.781 0.138 -1.143) 1.391 7.983 ( 2.897 -4.334 -0.291) 5.221 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 0.622 -0.295 -0.081) 0.693 1.230 ( -1.144 3.707 0.406) 3.901 1.557 ( 3.358 1.628 -2.612) 4.555 2.206 ( -3.780 -3.296 0.672) 5.060 2.762 ( -4.199 14.902 -1.688) 15.574 4.010 ( 4.597 -0.679 2.113) 5.105 5.697 ( 3.057 6.988 4.930) 9.082 5.968 ( 1.330 6.180 -0.821) 6.374 6.267 ( -5.449 -1.628 2.687) 6.290 6.569 ( -1.733 1.878 -1.676) 3.056 6.892 ( -0.872 -0.889 -3.427) 3.646 8.017 ( 4.759 -3.256 1.921) 6.078 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 2.353 0.241 0.282) 2.382 1.234 ( -2.366 2.706 0.410) 3.618 1.575 ( 0.437 -2.288 -2.805) 3.646 2.140 ( -0.738 -1.252 0.028) 1.453 2.772 ( -9.384 11.356 -1.437) 14.802 4.021 ( -1.198 -4.317 2.281) 5.027 5.833 ( 4.275 3.104 7.878) 9.486 6.069 ( 1.092 8.794 -2.268) 9.147 6.188 ( -1.908 -1.463 3.830) 4.522 6.550 ( -3.334 3.851 -1.928) 5.447 6.850 ( -0.230 -2.961 -4.319) 5.242 8.078 ( 4.502 -2.170 2.685) 5.673 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 2.134 -0.162 0.623) 2.230 1.202 ( -3.606 0.665 0.704) 3.734 1.536 ( -0.705 -2.631 -1.260) 3.001 2.162 ( 3.716 -0.043 -0.465) 3.745 2.661 ( -13.467 6.437 -0.264) 14.929 3.896 ( -8.767 -5.563 1.411) 10.479 5.950 ( 4.947 0.129 7.798) 9.236 6.045 ( -7.238 2.173 -0.900) 7.611 6.267 ( 3.441 4.062 5.573) 7.707 6.540 ( 0.336 4.600 -6.969) 8.358 6.809 ( 0.453 -2.976 -3.598) 4.691 8.137 ( 3.864 -1.662 1.921) 4.624 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -4.428 -2.723 2.450) 5.746 1.175 ( 0.152 -0.005 0.414) 0.441 1.498 ( -1.242 -1.781 -1.034) 2.405 2.226 ( 1.731 0.036 -0.841) 1.925 2.471 ( -11.749 1.906 1.483) 11.994 3.624 ( -17.455 -5.012 0.182) 18.161 5.902 ( -9.124 -1.095 -0.131) 9.190 6.049 ( 4.849 -2.852 4.052) 6.933 6.326 ( -1.999 3.585 5.977) 7.251 6.619 ( 4.109 3.983 -10.154) 11.655 6.821 ( 5.666 0.526 -0.854) 5.754 8.188 ( 3.675 -1.601 0.199) 4.014 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -0.000 10.970 -1.573) 11.083 1.036 ( 0.000 2.974 1.691) 3.421 1.429 ( 0.000 0.823 3.617) 3.709 1.751 ( 0.000 11.925 0.024) 11.925 2.400 ( -0.000 2.090 -4.975) 5.396 2.463 ( 0.000 27.924 3.586) 28.154 5.578 ( 0.000 6.162 0.727) 6.205 6.146 ( -0.000 6.107 -0.552) 6.132 6.284 ( -0.000 -2.690 -0.882) 2.831 6.404 ( -0.000 -1.367 -11.749) 11.828 7.507 ( 0.000 -18.520 6.146) 19.514 8.249 ( -0.000 0.393 -4.329) 4.347 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -0.802 3.653 0.872) 3.840 1.117 ( 0.153 7.630 -1.528) 7.783 1.410 ( -2.403 -0.977 -0.375) 2.621 1.896 ( 3.230 12.402 -0.489) 12.826 2.392 ( 0.192 1.478 -3.737) 4.023 2.821 ( 6.797 27.807 1.794) 28.682 5.640 ( 0.606 5.982 -0.722) 6.056 6.129 ( -6.459 0.339 -2.214) 6.836 6.307 ( 4.220 2.535 0.400) 4.939 6.381 ( 2.236 -0.508 -9.842) 10.105 7.324 ( -2.314 -18.223 5.562) 19.193 8.218 ( -2.528 -0.182 -4.285) 4.978 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 0.631 4.587 1.527) 4.875 1.174 ( -0.327 4.699 -0.412) 4.729 1.348 ( -2.348 -0.489 -4.203) 4.839 2.083 ( 4.939 10.922 -1.086) 12.036 2.434 ( 2.526 4.083 0.954) 4.895 3.207 ( 8.954 22.590 -0.381) 24.303 5.704 ( 0.194 5.308 -2.148) 5.729 6.010 ( -7.196 3.283 -1.582) 8.066 6.354 ( 2.355 -1.742 -6.713) 7.324 6.464 ( 6.106 3.963 -0.464) 7.294 7.116 ( -3.579 -16.541 4.193) 17.436 8.133 ( -4.893 -1.388 -4.483) 6.780 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -1.355 -0.994 -0.090) 1.682 1.173 ( 0.602 4.741 3.219) 5.762 1.345 ( 1.440 5.334 -4.316) 7.011 2.234 ( 3.481 4.390 -0.227) 5.607 2.572 ( 4.625 10.578 2.894) 11.902 3.542 ( 8.649 15.340 -0.997) 17.638 5.710 ( -3.469 4.454 -4.002) 6.920 5.975 ( -3.739 7.369 2.072) 8.519 6.358 ( 2.739 -1.739 -6.718) 7.460 6.594 ( 3.803 2.904 1.676) 5.070 6.933 ( -1.525 -11.736 2.172) 12.032 8.011 ( -4.909 -2.892 -4.618) 7.334 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -2.141 -2.074 -0.320) 2.998 1.246 ( 0.527 4.752 1.735) 5.086 1.441 ( 3.261 5.531 -0.908) 6.485 2.280 ( 0.164 -1.208 1.670) 2.067 2.787 ( 3.514 16.164 1.145) 16.581 3.782 ( 7.104 6.737 -0.306) 9.795 5.696 ( -2.625 6.754 -1.941) 7.501 5.992 ( -2.816 4.593 2.840) 6.090 6.368 ( 2.032 -1.766 -4.983) 5.664 6.618 ( -3.057 1.069 3.568) 4.818 6.893 ( 3.236 -2.144 -1.033) 4.017 7.908 ( -0.950 -4.199 -3.596) 5.609 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -0.471 -1.051 -0.260) 1.181 1.293 ( -0.835 4.603 1.128) 4.812 1.526 ( 2.151 2.014 -0.545) 2.997 2.237 ( -2.925 -2.930 1.587) 4.434 2.979 ( -1.592 18.081 -0.420) 18.156 3.914 ( 5.541 -1.294 0.954) 5.770 5.745 ( 0.379 6.426 0.784) 6.485 5.996 ( -0.658 1.899 3.784) 4.285 6.347 ( -1.555 -1.016 -2.874) 3.422 6.608 ( -1.823 4.512 2.779) 5.604 6.906 ( -1.140 0.300 -3.497) 3.690 7.893 ( 4.771 -4.179 -1.157) 6.447 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 1.478 -0.220 -0.112) 1.498 1.312 ( -2.467 3.985 1.078) 4.809 1.543 ( 0.275 -1.602 -1.321) 2.095 2.161 ( -2.946 -1.908 1.186) 3.705 3.056 ( -8.783 15.370 -0.990) 17.730 3.960 ( 3.532 -5.446 1.664) 6.701 5.811 ( 2.350 0.687 3.364) 4.161 6.067 ( 3.720 5.411 2.967) 7.205 6.285 ( -4.237 0.191 -1.463) 4.487 6.644 ( -2.183 6.713 2.331) 7.434 6.837 ( -3.546 -2.257 -5.159) 6.654 7.960 ( 6.720 -3.074 0.267) 7.395 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 2.536 -0.137 -0.184) 2.547 1.286 ( -4.474 1.809 1.114) 4.953 1.517 ( -0.240 -2.065 -1.062) 2.334 2.129 ( 0.279 -0.307 1.438) 1.496 2.973 ( -14.509 8.785 -0.303) 16.965 3.934 ( -1.292 -4.991 1.017) 5.254 5.873 ( 4.489 -2.108 5.136) 7.140 6.158 ( -2.672 0.458 -6.950) 7.460 6.258 ( 2.694 5.656 7.144) 9.502 6.636 ( -6.839 4.846 -1.248) 8.474 6.763 ( 0.526 -2.232 -2.877) 3.679 8.040 ( 5.592 -2.404 -0.366) 6.098 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 1.450 -0.881 0.218) 1.710 1.211 ( -5.025 -0.355 1.178) 5.174 1.494 ( -0.641 -1.002 -1.288) 1.754 2.172 ( 3.584 0.739 1.715) 4.042 2.756 ( -17.057 2.489 0.970) 17.265 3.813 ( -9.070 -2.777 -0.161) 9.487 5.938 ( 4.333 -3.953 2.006) 6.199 6.033 ( -7.195 -1.843 -3.465) 8.196 6.397 ( 1.419 3.030 7.602) 8.306 6.569 ( 0.477 2.643 -8.135) 8.567 6.776 ( 0.955 1.887 0.513) 2.176 8.097 ( 4.434 -2.271 -2.032) 5.381 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -0.000 1.769 -0.470) 1.830 1.181 ( -0.000 6.012 -1.176) 6.126 1.414 ( -0.000 -1.945 -3.576) 4.071 1.978 ( -0.000 11.519 -1.342) 11.597 2.375 ( -0.000 -0.529 -3.586) 3.624 3.057 ( 0.000 28.744 1.590) 28.788 5.668 ( -0.000 3.538 -3.593) 5.043 6.183 ( -0.000 -1.705 -10.934) 11.066 6.277 ( 0.000 1.734 2.878) 3.360 6.358 ( -0.000 4.225 -2.221) 4.773 7.183 ( 0.000 -18.155 5.897) 19.089 8.231 ( -0.000 0.413 -3.942) 3.964 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 1.342 1.993 -0.559) 2.467 1.221 ( -0.546 2.817 0.226) 2.879 1.363 ( -1.561 -0.569 -6.750) 6.952 2.111 ( 3.012 9.902 -1.393) 10.443 2.392 ( 4.067 -0.242 -0.517) 4.107 3.351 ( 2.595 25.118 0.239) 25.253 5.707 ( 2.526 2.759 -4.373) 5.755 6.097 ( -2.031 -0.868 -11.608) 11.816 6.306 ( -0.504 1.650 -0.097) 1.728 6.437 ( 2.997 5.462 2.257) 6.626 7.012 ( -1.749 -16.717 5.432) 17.664 8.192 ( -3.732 0.225 -3.967) 5.451 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 1.749 0.741 -0.276) 1.919 1.207 ( -0.880 -0.319 0.950) 1.334 1.360 ( 1.201 4.811 -5.001) 7.043 2.225 ( 2.211 3.758 0.453) 4.384 2.533 ( 9.679 5.217 0.977) 11.039 3.614 ( 2.768 18.854 -0.616) 19.066 5.760 ( 0.962 3.627 -5.551) 6.700 6.068 ( 0.909 2.810 -5.974) 6.664 6.294 ( -1.202 -0.115 -1.914) 2.263 6.558 ( 5.012 3.962 1.817) 6.642 6.848 ( -1.885 -12.688 4.917) 13.737 8.086 ( -6.902 -0.415 -4.513) 8.257 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -1.988 -2.625 -0.825) 3.395 1.266 ( 2.602 3.357 0.934) 4.349 1.440 ( 2.708 4.876 -0.899) 5.649 2.267 ( 0.890 -0.936 2.215) 2.564 2.798 ( 11.481 10.453 0.723) 15.544 3.792 ( 1.191 10.635 -0.716) 10.726 5.780 ( -1.078 5.450 -5.659) 7.930 6.097 ( -2.434 3.313 1.841) 4.505 6.272 ( 2.177 -2.837 -4.616) 5.840 6.689 ( 3.498 3.981 3.184) 6.183 6.762 ( 3.217 -6.368 2.204) 7.467 7.940 ( -7.210 -1.148 -4.751) 8.711 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -1.127 -1.459 -0.490) 1.907 1.337 ( 1.331 3.797 0.553) 4.061 1.513 ( 1.625 1.733 0.443) 2.417 2.252 ( -1.257 -2.637 1.866) 3.467 3.099 ( 8.524 14.607 0.532) 16.921 3.852 ( -0.293 0.872 -0.377) 0.994 5.801 ( -1.048 4.217 -3.229) 5.414 6.072 ( -3.456 2.858 6.029) 7.514 6.274 ( 3.174 -3.918 -6.066) 7.888 6.723 ( -2.488 4.566 6.323) 8.186 6.860 ( 6.725 -0.224 -2.817) 7.295 7.824 ( -2.413 -1.753 -3.393) 4.518 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.321 -0.466 -0.196) 0.599 1.385 ( -0.589 4.127 0.739) 4.234 1.523 ( -0.147 -1.943 -0.101) 1.951 2.195 ( -2.688 -2.253 1.151) 3.691 3.325 ( -2.116 17.100 -0.022) 17.230 3.826 ( 2.933 -8.036 0.383) 8.563 5.798 ( -0.344 -0.387 0.409) 0.659 6.103 ( -0.421 5.227 4.240) 6.743 6.267 ( 2.525 -2.990 -4.055) 5.636 6.750 ( -1.511 3.708 4.415) 5.960 6.889 ( -3.026 1.591 -3.744) 5.070 7.823 ( 4.844 -1.663 -1.369) 5.302 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 1.680 -0.108 -0.325) 1.714 1.384 ( -4.131 2.004 0.872) 4.673 1.496 ( 0.370 -1.849 -0.152) 1.892 2.143 ( -1.646 -0.945 1.573) 2.465 3.307 ( -14.501 8.891 0.101) 17.011 3.843 ( 6.243 -5.658 0.300) 8.431 5.809 ( 2.208 -1.257 3.571) 4.383 6.118 ( 0.659 -3.158 -6.433) 7.197 6.313 ( 1.514 5.406 4.920) 7.465 6.725 ( -2.851 -5.227 -4.343) 7.369 6.831 ( -5.922 7.464 3.426) 10.126 7.910 ( 6.572 -1.308 -1.706) 6.915 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 2.230 -0.348 -0.709) 2.366 1.302 ( -5.522 -0.935 0.904) 5.673 1.498 ( -0.300 0.629 0.110) 0.706 2.142 ( 1.417 0.276 2.740) 3.097 3.069 ( -17.550 0.158 0.692) 17.565 3.872 ( -0.243 -0.800 -0.433) 0.941 5.853 ( 2.426 -2.501 3.757) 5.124 6.050 ( -0.506 -4.502 -9.154) 10.213 6.415 ( 1.215 3.649 8.248) 9.100 6.582 ( -3.476 -3.861 -7.631) 9.232 6.839 ( -2.948 5.355 4.152) 7.390 7.989 ( 5.042 -1.248 -3.464) 6.243 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -0.000 1.296 -0.945) 1.604 1.237 ( 0.000 -1.266 0.430) 1.337 1.349 ( -0.000 1.301 -8.957) 9.051 2.177 ( -0.000 9.726 -1.599) 9.856 2.329 ( 0.000 -3.390 0.611) 3.444 3.571 ( 0.000 23.070 -0.289) 23.072 5.680 ( -0.000 1.030 -4.904) 5.011 6.030 ( -0.000 -2.998 -16.915) 17.179 6.371 ( 0.000 4.946 3.787) 6.229 6.475 ( 0.000 5.690 2.542) 6.232 6.885 ( 0.000 -15.567 5.881) 16.641 8.222 ( -0.000 0.961 -3.430) 3.562 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 1.845 0.967 -0.572) 2.160 1.200 ( -0.389 -3.343 -1.301) 3.608 1.365 ( 1.374 4.166 -5.262) 6.851 2.239 ( -0.388 2.073 1.185) 2.419 2.395 ( 9.374 2.139 -0.029) 9.615 3.777 ( 0.192 18.324 -0.875) 18.346 5.720 ( 4.373 1.989 -4.544) 6.613 5.980 ( 2.968 -1.339 -14.587) 14.946 6.388 ( -4.491 3.692 3.497) 6.784 6.538 ( 1.181 2.640 -0.181) 2.898 6.770 ( 0.310 -10.418 7.081) 12.600 8.181 ( -4.706 1.026 -3.546) 5.981 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -1.306 -2.455 -1.218) 3.036 1.231 ( 4.171 1.480 -0.211) 4.431 1.435 ( 2.719 4.052 -1.138) 5.011 2.245 ( 0.776 -2.137 2.609) 3.460 2.640 ( 14.510 5.381 -0.394) 15.480 3.915 ( -1.527 12.147 -0.937) 12.278 5.800 ( 2.298 4.707 -6.844) 8.618 6.036 ( 7.890 -0.126 -8.081) 11.295 6.313 ( -6.394 -1.346 4.883) 8.157 6.570 ( 4.046 -1.377 -2.692) 5.051 6.754 ( 0.970 -1.264 7.051) 7.229 8.068 ( -8.305 1.112 -3.775) 9.190 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -1.260 -1.219 -0.632) 1.864 1.318 ( 4.017 1.916 -0.439) 4.472 1.505 ( 1.662 1.713 0.813) 2.521 2.237 ( 0.322 -3.042 1.553) 3.431 2.969 ( 17.118 6.555 0.168) 18.331 3.942 ( -5.215 5.208 -0.847) 7.419 5.844 ( -0.598 4.737 -5.945) 7.625 6.117 ( 3.276 -0.197 -4.185) 5.318 6.228 ( -3.185 -1.532 5.308) 6.377 6.678 ( 10.808 -0.576 -2.177) 11.040 6.783 ( 0.242 0.420 4.864) 4.889 7.920 ( -8.795 1.614 -2.892) 9.398 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -0.613 -0.132 -0.099) 0.635 1.396 ( 3.071 2.083 -0.470) 3.741 1.516 ( -0.869 -1.369 0.642) 1.744 2.205 ( -0.991 -2.617 0.099) 2.800 3.322 ( 16.299 6.611 0.273) 17.591 3.835 ( -9.378 -1.200 -0.524) 9.469 5.825 ( -2.784 1.220 -2.167) 3.733 6.158 ( 0.730 -4.780 -3.138) 5.765 6.201 ( 0.688 6.254 4.407) 7.682 6.783 ( -0.775 -2.020 1.315) 2.532 6.858 ( 8.497 1.231 -0.944) 8.637 7.816 ( -4.315 2.315 -0.633) 4.937 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.307 0.324 0.001) 0.447 1.459 ( -3.134 -3.019 0.031) 4.352 1.460 ( 2.244 1.990 -0.031) 3.000 2.162 ( -1.446 -1.530 0.001) 2.105 3.612 ( -9.320 -9.568 0.012) 13.357 3.627 ( 9.035 9.282 -0.011) 12.953 5.801 ( -0.453 1.112 0.745) 1.413 6.069 ( -2.290 -6.269 -2.458) 7.112 6.337 ( 4.046 7.402 2.769) 8.878 6.711 ( -3.101 -6.167 -1.658) 7.099 6.949 ( 0.405 2.438 0.609) 2.545 7.825 ( 2.225 2.355 -0.009) 3.240 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 1.151 0.221 -0.372) 1.230 1.365 ( -3.900 -3.319 0.087) 5.122 1.511 ( 0.957 2.554 0.537) 2.780 2.138 ( -0.069 -0.508 1.308) 1.405 3.316 ( -14.278 -8.294 0.447) 16.519 3.826 ( 5.858 4.279 -0.401) 7.265 5.837 ( 0.903 1.820 4.507) 4.944 5.959 ( -0.370 -6.982 -7.028) 9.913 6.468 ( 1.269 5.353 5.883) 8.055 6.560 ( -3.797 -7.897 -5.674) 10.439 6.949 ( -2.808 1.948 2.484) 4.225 7.901 ( 3.875 1.786 -1.983) 4.705 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -0.000 1.016 -0.410) 1.096 1.156 ( -0.000 -3.998 -2.607) 4.773 1.377 ( -0.000 3.908 -3.295) 5.112 2.254 ( 0.000 -5.226 3.006) 6.029 2.333 ( 0.000 6.846 -0.606) 6.873 3.935 ( -0.000 14.615 -1.513) 14.693 5.674 ( -0.000 1.112 -2.577) 2.807 5.908 ( -0.000 0.783 -14.271) 14.292 6.480 ( 0.000 3.847 1.411) 4.098 6.537 ( -0.000 -2.194 -3.900) 4.474 6.702 ( 0.000 -5.023 10.493) 11.633 8.225 ( -0.000 1.331 -3.138) 3.409 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -0.584 -1.820 -1.393) 2.365 1.168 ( 3.625 0.579 -0.422) 3.695 1.426 ( 2.025 3.504 -0.273) 4.056 2.213 ( 0.338 -4.196 2.789) 5.050 2.473 ( 9.376 4.312 0.045) 10.320 4.042 ( -1.012 9.601 -1.658) 9.796 5.747 ( 6.463 3.022 -2.152) 7.452 5.909 ( 2.973 2.327 -10.347) 11.014 6.398 ( -6.171 -4.904 -0.026) 7.882 6.542 ( 0.937 1.693 -2.442) 3.115 6.733 ( 1.868 -0.774 8.215) 8.460 8.187 ( -4.893 1.445 -3.116) 5.978 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -0.927 -0.250 -0.534) 1.099 1.249 ( 4.978 0.593 -0.688) 5.060 1.493 ( 1.965 1.733 1.564) 3.051 2.196 ( 1.017 -3.451 1.186) 3.788 2.725 ( 15.793 2.884 0.667) 16.068 4.067 ( -3.716 4.201 -1.565) 5.823 5.873 ( 2.298 7.037 -6.388) 9.778 6.004 ( 7.866 0.663 -3.235) 8.531 6.261 ( -3.104 -5.177 3.075) 6.774 6.571 ( 2.064 1.986 -2.031) 3.511 6.771 ( 1.357 -1.692 4.908) 5.366 8.082 ( -8.052 2.060 -2.302) 8.624 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -1.100 0.825 0.113) 1.379 1.333 ( 4.798 -0.089 -1.066) 4.916 1.519 ( -0.142 -0.616 1.194) 1.351 2.181 ( 0.478 -2.464 -0.911) 2.670 3.041 ( 18.585 0.109 0.645) 18.596 3.987 ( -7.492 0.233 -1.229) 7.596 5.898 ( -3.793 4.207 -5.542) 7.924 6.087 ( 2.849 -0.384 -0.654) 2.948 6.247 ( 1.665 0.210 4.079) 4.411 6.681 ( 9.924 1.261 -1.811) 10.167 6.767 ( -0.190 -3.839 2.295) 4.477 7.962 ( -8.115 3.192 0.020) 8.720 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -0.890 1.211 0.426) 1.562 1.391 ( 3.346 -2.678 -0.767) 4.354 1.496 ( -1.296 -0.182 -0.105) 1.313 2.159 ( -0.330 -1.325 -1.887) 2.330 3.309 ( 15.344 -7.800 -0.293) 17.215 3.845 ( -8.605 2.235 -0.097) 8.891 5.845 ( -3.146 2.441 -3.935) 5.598 6.067 ( -3.170 -4.285 4.295) 6.846 6.338 ( 4.441 6.068 -0.068) 7.520 6.696 ( -2.681 -6.811 1.227) 7.422 6.860 ( 9.330 0.036 -2.662) 9.702 7.891 ( -4.592 4.212 2.385) 6.672 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -0.000 -0.215 -0.792) 0.821 1.141 ( 0.000 0.653 0.400) 0.766 1.444 ( 0.000 3.258 2.030) 3.839 2.175 ( 0.000 -4.159 2.360) 4.782 2.431 ( 0.000 2.945 0.831) 3.060 4.119 ( -0.000 5.316 -1.996) 5.678 5.701 ( 0.000 2.152 1.076) 2.406 5.904 ( -0.000 6.110 -9.058) 10.926 6.409 ( -0.000 -5.167 -4.649) 6.951 6.520 ( -0.000 0.160 -1.987) 1.993 6.747 ( 0.000 0.320 8.908) 8.914 8.231 ( -0.000 1.172 -3.158) 3.369 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -0.576 1.451 -0.030) 1.561 1.178 ( 3.296 0.338 0.177) 3.318 1.492 ( 1.015 2.016 3.686) 4.322 2.154 ( 0.645 -2.393 0.970) 2.662 2.531 ( 9.159 0.809 1.452) 9.309 4.129 ( -1.564 0.426 -2.011) 2.583 5.806 ( 8.173 2.870 1.504) 8.792 5.959 ( 0.965 7.994 -6.107) 10.106 6.291 ( -5.387 -3.926 -2.465) 7.107 6.538 ( 2.737 -1.113 -4.005) 4.977 6.768 ( -0.445 -0.884 7.634) 7.698 8.196 ( -4.203 1.322 -2.779) 5.210 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -1.186 2.078 0.326) 2.414 1.244 ( 4.416 -0.676 -0.695) 4.521 1.520 ( -0.074 -0.268 2.825) 2.838 2.149 ( 0.552 -0.860 -0.951) 1.396 2.745 ( 15.198 -1.906 1.439) 15.385 4.061 ( -3.719 -3.696 -1.840) 5.557 5.966 ( 2.817 4.245 -5.168) 7.257 6.041 ( 2.418 4.212 -0.077) 4.857 6.203 ( 0.684 -0.688 2.053) 2.271 6.565 ( 4.192 -1.645 -3.660) 5.803 6.759 ( -1.255 -1.972 5.528) 6.002 8.113 ( -6.415 2.060 -1.020) 6.815 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -1.519 2.091 0.548) 2.642 1.297 ( 3.881 -2.920 -1.239) 5.013 1.507 ( -0.887 -1.058 0.980) 1.693 2.147 ( 0.001 0.306 -2.357) 2.377 2.970 ( 15.318 -7.643 0.200) 17.120 3.943 ( -4.239 -4.134 -0.797) 5.974 5.926 ( -5.212 2.510 -6.575) 8.757 6.094 ( -0.097 -2.401 7.121) 7.516 6.302 ( 5.086 5.724 -2.134) 7.949 6.628 ( 5.208 -5.959 -0.248) 7.918 6.744 ( 1.483 0.937 1.553) 2.343 8.030 ( -6.052 3.032 1.707) 6.981 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 0.000 2.978 0.193) 2.985 1.153 ( 0.000 0.056 0.844) 0.845 1.519 ( 0.000 1.689 5.652) 5.899 2.141 ( 0.000 0.400 0.652) 0.764 2.452 ( 0.000 -1.718 1.748) 2.451 4.117 ( -0.000 -4.323 -2.078) 4.797 5.767 ( 0.000 2.672 4.302) 5.064 6.027 ( -0.000 10.697 -6.272) 12.400 6.313 ( -0.000 -1.804 -3.457) 3.900 6.461 ( -0.000 -3.840 -4.939) 6.257 6.791 ( 0.000 -1.064 8.172) 8.241 8.232 ( -0.000 0.959 -3.231) 3.370 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -0.796 2.236 0.303) 2.392 1.181 ( 2.183 -0.072 -0.022) 2.184 1.539 ( -0.831 -0.113 4.679) 4.754 2.154 ( -0.634 2.404 0.018) 2.487 2.512 ( 9.282 -3.866 1.690) 10.196 4.034 ( -1.243 -8.922 -2.014) 9.231 5.869 ( 6.820 1.533 4.235) 8.173 6.106 ( -1.236 9.123 -10.951) 14.307 6.249 ( -3.574 1.520 3.057) 4.943 6.453 ( 4.212 -4.132 -4.354) 7.333 6.790 ( -1.404 -1.296 7.290) 7.537 8.205 ( -3.158 1.278 -2.500) 4.226 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -1.353 2.084 0.059) 2.486 1.209 ( 2.643 -2.587 -0.911) 3.809 1.520 ( -1.455 -1.355 2.362) 3.088 2.164 ( -1.037 2.889 -0.873) 3.191 2.658 ( 12.705 -7.647 0.368) 14.833 3.908 ( -0.890 -10.940 -1.208) 11.043 5.988 ( 3.118 -0.565 1.013) 3.327 6.056 ( -2.855 -0.508 -5.129) 5.892 6.312 ( 2.225 8.121 -2.657) 8.830 6.492 ( 4.862 -2.218 2.312) 5.823 6.770 ( -1.823 -0.223 4.866) 5.201 8.148 ( -4.590 1.979 -0.409) 5.015 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 0.000 -0.849 0.650) 1.069 1.185 ( -0.000 2.054 -0.919) 2.250 1.558 ( 0.000 -1.085 3.989) 4.134 2.212 ( 0.000 6.062 1.296) 6.199 2.380 ( 0.000 -6.693 1.410) 6.840 3.923 ( -0.000 -14.283 -2.036) 14.428 5.839 ( 0.000 1.039 5.103) 5.208 6.158 ( -0.000 6.627 -16.861) 18.117 6.331 ( -0.000 -5.249 -5.625) 7.694 6.357 ( 0.000 6.531 10.191) 12.104 6.814 ( 0.000 -0.881 7.001) 7.056 8.234 ( -0.000 1.286 -3.078) 3.336 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 1.128 -1.888 0.009) 2.199 1.187 ( -0.918 0.514 -1.502) 1.834 1.537 ( -1.398 -2.112 1.763) 3.086 2.231 ( -2.670 3.123 1.382) 4.335 2.408 ( 8.305 -6.114 0.263) 10.316 3.762 ( 0.781 -17.737 -1.483) 17.816 5.888 ( 4.076 -2.979 2.820) 5.782 6.121 ( -3.681 2.663 -11.917) 12.754 6.289 ( 2.181 -1.066 -6.772) 7.194 6.489 ( 1.894 7.796 11.259) 13.825 6.818 ( -1.543 1.062 4.930) 5.274 8.220 ( -2.252 1.774 -2.184) 3.604 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -0.000 -2.223 -0.199) 2.232 1.186 ( -0.000 -1.159 -2.369) 2.637 1.525 ( -0.000 -3.172 -0.306) 3.187 2.208 ( -0.000 -11.237 -0.304) 11.242 2.360 ( 0.000 6.916 2.048) 7.213 3.546 ( -0.000 -22.992 -1.346) 23.032 5.821 ( -0.000 -5.384 -0.036) 5.384 6.135 ( -0.000 2.587 -14.808) 15.032 6.246 ( -0.000 -0.283 -0.423) 0.509 6.585 ( 0.000 6.356 11.559) 13.191 6.875 ( 0.000 5.585 3.757) 6.731 8.249 ( -0.000 2.058 -2.674) 3.374 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 0.000 -0.000 17.825) 17.825 0.543 ( 0.000 -0.000 17.825) 17.825 0.962 ( 0.000 -0.000 34.456) 34.456 1.339 ( -0.000 0.000 -1.648) 1.648 1.339 ( -0.000 0.000 -1.648) 1.648 3.041 ( -0.000 0.000 -12.149) 12.149 5.298 ( 0.000 -0.000 3.943) 3.943 5.298 ( 0.000 -0.000 3.943) 3.943 6.498 ( -0.000 0.000 -2.725) 2.725 6.498 ( -0.000 0.000 -2.725) 2.725 8.089 ( 0.000 -0.000 0.951) 0.951 8.381 ( -0.000 0.000 -0.601) 0.601 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 0.939 0.542 16.504) 16.540 0.632 ( -1.342 -0.775 20.201) 20.260 1.210 ( 8.256 4.766 14.703) 17.523 1.352 ( 2.251 1.299 -1.622) 3.063 1.541 ( 17.455 10.078 5.346) 20.853 2.696 ( -17.450 -10.075 -0.098) 20.150 5.307 ( 0.750 0.433 3.533) 3.637 5.709 ( 23.341 13.476 -10.542) 28.940 6.417 ( -5.008 -2.891 -3.764) 6.900 6.502 ( -0.185 -0.107 -2.429) 2.439 8.066 ( -4.062 -2.345 2.871) 5.499 8.291 ( -4.812 -2.778 -0.604) 5.589 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 7.623 4.401 9.597) 13.022 0.678 ( 0.707 0.408 14.968) 14.990 1.367 ( 3.819 2.205 4.016) 5.965 1.436 ( 5.785 3.340 -0.762) 6.723 2.029 ( 21.670 12.511 3.681) 25.292 2.426 ( -6.044 -3.489 -0.283) 6.984 5.351 ( 2.198 1.269 2.620) 3.648 6.073 ( 8.592 4.961 -6.792) 12.024 6.283 ( -1.875 -1.082 -7.916) 8.207 6.479 ( -1.155 -0.667 -2.108) 2.494 7.892 ( -11.512 -6.646 6.135) 14.640 8.227 ( -1.143 -0.660 -3.790) 4.013 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 3.182 1.837 5.899) 6.950 0.859 ( 7.226 4.172 3.832) 9.182 1.405 ( -1.063 -0.614 0.820) 1.476 1.614 ( 10.058 5.807 0.277) 11.617 2.297 ( 2.899 1.674 -6.618) 7.416 2.607 ( 20.493 11.832 4.286) 24.048 5.420 ( 3.395 1.960 1.262) 4.118 5.961 ( -10.136 -5.852 -2.954) 12.071 6.425 ( 10.452 6.035 -8.570) 14.802 6.445 ( -1.255 -0.725 -1.410) 2.022 7.621 ( -13.785 -7.959 4.656) 16.585 8.184 ( -1.821 -1.051 -3.444) 4.035 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 6.902 3.985 0.651) 7.996 0.999 ( 4.714 2.721 0.761) 5.496 1.345 ( -3.345 -1.931 -1.838) 4.277 1.873 ( 12.310 7.107 0.234) 14.216 2.353 ( 3.208 1.852 -3.453) 5.064 3.091 ( 20.748 11.979 1.219) 23.989 5.508 ( 4.257 2.458 -0.465) 4.938 5.720 ( -9.705 -5.603 -2.421) 11.465 6.420 ( -0.671 -0.387 0.012) 0.774 6.610 ( 7.731 4.464 -6.757) 11.196 7.310 ( -14.530 -8.389 2.423) 16.951 8.130 ( -2.041 -1.178 -1.765) 2.944 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 6.382 3.685 0.388) 7.379 1.084 ( 2.967 1.713 -0.418) 3.452 1.286 ( 0.327 0.189 -3.549) 3.569 2.142 ( 11.166 6.446 -0.685) 12.911 2.392 ( 0.328 0.189 -1.379) 1.430 3.526 ( 17.288 9.981 0.941) 19.984 5.541 ( -5.255 -3.034 -0.078) 6.069 5.605 ( 4.686 2.706 -2.384) 5.913 6.415 ( -0.162 -0.093 2.130) 2.139 6.712 ( 2.058 1.188 -7.498) 7.866 7.012 ( -11.013 -6.359 1.858) 12.852 8.092 ( -1.064 -0.614 0.550) 1.346 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -0.496 -0.286 -0.080) 0.578 1.135 ( 1.801 1.040 -0.800) 2.228 1.395 ( 8.638 4.987 -4.105) 10.786 2.346 ( -4.021 -2.322 -0.873) 4.725 2.355 ( 7.758 4.479 -1.562) 9.093 3.859 ( 11.654 6.729 1.668) 13.560 5.503 ( 1.503 0.868 4.012) 4.371 5.702 ( 4.698 2.712 -4.058) 6.775 6.418 ( -0.607 -0.351 4.346) 4.403 6.595 ( -8.560 -4.942 -4.996) 11.075 6.909 ( 0.160 0.093 -1.387) 1.399 8.088 ( 0.206 0.119 2.914) 2.923 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 0.702 0.405 0.070) 0.813 1.162 ( 0.840 0.485 -0.865) 1.299 1.562 ( 6.531 3.771 -5.692) 9.448 2.229 ( -5.189 -2.996 -0.885) 6.057 2.474 ( 3.222 1.861 -1.964) 4.208 4.050 ( 4.559 2.632 2.409) 5.789 5.621 ( 6.588 3.804 8.731) 11.581 5.789 ( 4.235 2.445 -5.074) 7.047 6.404 ( -2.160 -1.247 5.918) 6.422 6.415 ( -5.298 -3.059 -3.519) 7.057 6.917 ( 0.558 0.322 -3.469) 3.528 8.114 ( 0.945 0.546 4.541) 4.670 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 2.204 1.272 0.809) 2.670 1.168 ( -0.045 -0.026 -0.739) 0.741 1.626 ( 0.524 0.302 -5.328) 5.362 2.161 ( 0.346 0.200 -1.439) 1.494 2.486 ( -1.663 -0.960 -1.791) 2.625 4.071 ( -3.542 -2.045 2.744) 4.925 5.817 ( 7.146 4.126 13.540) 15.856 5.856 ( 2.965 1.712 -5.194) 6.221 6.354 ( -3.818 -2.205 6.305) 7.694 6.359 ( 1.780 1.028 -5.612) 5.977 6.905 ( -0.637 -0.368 -4.294) 4.357 8.154 ( 1.263 0.729 5.025) 5.232 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -0.924 -0.533 -0.418) 1.145 1.175 ( 1.430 0.826 1.459) 2.204 1.584 ( -2.396 -1.384 -1.716) 3.256 2.229 ( 5.516 3.185 -2.526) 6.853 2.391 ( -6.232 -3.598 -1.023) 7.268 3.903 ( -12.101 -6.986 2.379) 14.174 5.880 ( -0.030 -0.017 -3.635) 3.635 6.002 ( 4.954 2.860 17.239) 18.163 6.283 ( -3.488 -2.014 4.583) 6.102 6.450 ( 7.637 4.410 -10.027) 13.354 6.867 ( -1.067 -0.616 -4.836) 4.990 8.200 ( 1.564 0.903 4.362) 4.721 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 0.000 3.220 15.043) 15.383 0.812 ( 0.000 8.250 11.451) 14.113 1.248 ( 0.000 6.205 17.368) 18.443 1.386 ( -0.000 5.248 -1.327) 5.414 1.489 ( 0.000 15.571 7.410) 17.245 2.699 ( -0.000 -17.623 -3.527) 17.973 5.368 ( 0.000 3.389 4.070) 5.296 5.633 ( -0.000 22.843 -8.008) 24.206 6.432 ( -0.000 -3.272 -3.039) 4.465 6.482 ( -0.000 -0.995 -3.691) 3.823 8.066 ( 0.000 -5.414 2.778) 6.085 8.289 ( -0.000 -5.608 -0.887) 5.677 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 2.302 9.289 8.338) 12.693 0.855 ( -5.603 7.480 12.171) 15.345 1.350 ( 1.694 3.625 6.569) 7.692 1.441 ( 0.938 8.480 -0.763) 8.566 1.862 ( 16.090 17.503 7.692) 24.988 2.481 ( -6.087 -8.228 -2.940) 10.649 5.392 ( -1.690 5.009 3.400) 6.285 5.932 ( 11.874 13.133 -8.037) 19.443 6.326 ( -5.946 -3.661 -4.184) 8.140 6.468 ( 0.495 -1.524 -3.918) 4.232 7.954 ( -4.826 -12.180 5.564) 14.234 8.233 ( -1.299 -0.829 -3.512) 3.835 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.448 7.589 4.275) 8.722 0.891 ( -1.622 8.288 8.240) 11.799 1.405 ( 0.413 -0.139 2.437) 2.475 1.580 ( 4.371 11.004 0.468) 11.850 2.255 ( 5.429 8.099 -5.030) 10.971 2.451 ( 11.489 9.020 3.525) 15.026 5.439 ( -0.114 5.793 2.566) 6.337 6.061 ( -6.758 -3.081 -1.782) 7.638 6.283 ( 8.453 5.567 -8.150) 12.994 6.443 ( -0.162 -1.285 -3.816) 4.029 7.724 ( -8.796 -13.474 5.019) 16.855 8.193 ( -1.691 -0.632 -3.866) 4.267 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 0.321 7.653 3.446) 8.400 0.993 ( 1.869 6.669 1.724) 7.137 1.370 ( -2.596 -2.681 -0.798) 3.816 1.803 ( 7.726 12.416 0.925) 14.653 2.321 ( 2.234 4.013 -3.495) 5.771 2.892 ( 18.967 15.491 1.190) 24.518 5.511 ( 0.789 6.192 1.283) 6.372 5.849 ( -10.898 -3.629 -1.291) 11.559 6.415 ( 0.378 -0.978 -1.848) 2.125 6.485 ( 9.190 4.462 -6.980) 12.373 7.438 ( -11.206 -12.487 2.793) 17.009 8.138 ( -1.912 -2.103 -2.677) 3.905 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 3.757 7.434 3.455) 9.017 1.081 ( 1.520 5.062 -0.429) 5.303 1.292 ( -2.229 -1.607 -2.683) 3.840 2.064 ( 8.513 11.443 -0.029) 14.262 2.387 ( 1.355 3.298 -0.913) 3.680 3.347 ( 17.436 13.387 0.408) 21.986 5.569 ( -1.070 1.861 -0.480) 2.200 5.676 ( -6.538 3.993 0.837) 7.706 6.411 ( 0.615 -0.513 -0.351) 0.874 6.631 ( 6.010 1.768 -6.364) 8.930 7.138 ( -11.428 -9.603 1.187) 14.974 8.083 ( -0.519 -3.155 -0.727) 3.279 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -0.299 1.174 1.753) 2.130 1.130 ( 0.628 2.690 -0.218) 2.771 1.321 ( 5.123 5.924 -2.875) 8.343 2.280 ( 5.532 5.344 -1.055) 7.764 2.415 ( -1.664 5.458 -0.489) 5.727 3.725 ( 13.629 9.236 1.244) 16.511 5.528 ( -1.707 1.267 3.090) 3.751 5.714 ( -0.217 8.867 -1.024) 8.929 6.416 ( 0.246 -1.497 2.171) 2.649 6.644 ( -2.530 -2.961 -6.208) 7.329 6.930 ( -4.551 -2.510 -0.305) 5.206 8.063 ( 1.704 -3.207 1.625) 3.979 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -0.378 -0.419 0.189) 0.595 1.167 ( 0.121 2.700 -0.303) 2.719 1.477 ( 6.180 5.159 -3.589) 8.814 2.273 ( -3.862 -3.444 -0.923) 5.256 2.502 ( 0.326 10.768 -1.787) 10.920 3.981 ( 8.067 4.108 2.250) 9.328 5.595 ( 4.021 4.745 6.943) 9.321 5.797 ( 0.333 8.732 -2.479) 9.083 6.371 ( -2.453 -6.395 2.626) 7.336 6.534 ( -4.754 0.989 -1.952) 5.233 6.894 ( 0.295 -0.290 -3.387) 3.412 8.085 ( 3.022 -2.495 3.540) 5.282 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 1.883 0.472 0.263) 1.959 1.184 ( -0.798 2.209 -0.412) 2.385 1.577 ( 3.185 1.065 -5.198) 6.189 2.171 ( -3.031 -2.096 -0.757) 3.762 2.565 ( -3.653 8.438 -2.034) 9.417 4.084 ( 1.203 -0.974 2.724) 3.133 5.769 ( 6.822 5.142 9.014) 12.419 5.879 ( 0.249 8.887 -2.429) 9.217 6.276 ( -0.487 -6.109 0.941) 6.200 6.483 ( -4.635 2.982 1.234) 5.648 6.881 ( 0.383 -1.469 -4.700) 4.939 8.129 ( 3.053 -1.705 4.283) 5.529 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 2.465 0.491 0.409) 2.547 1.181 ( -1.477 1.406 -0.038) 2.040 1.578 ( -0.143 -1.910 -3.884) 4.330 2.158 ( 2.856 0.217 -1.026) 3.043 2.527 ( -8.239 5.787 -1.554) 10.187 4.014 ( -6.924 -5.276 2.436) 9.039 5.902 ( -0.082 5.404 -2.160) 5.820 5.994 ( 4.462 4.129 11.853) 13.321 6.265 ( 3.596 -2.751 0.757) 4.590 6.440 ( -3.368 3.896 -1.976) 5.516 6.848 ( -0.214 -2.229 -5.457) 5.898 8.176 ( 2.730 -1.228 3.758) 4.804 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 0.000 12.352 4.434) 13.124 0.977 ( 0.000 4.023 4.410) 5.969 1.404 ( 0.000 3.675 5.749) 6.823 1.533 ( 0.000 10.060 -0.685) 10.083 1.947 ( 0.000 23.575 10.527) 25.819 2.439 ( -0.000 -6.585 -5.768) 8.754 5.472 ( 0.000 5.000 2.443) 5.565 5.949 ( -0.000 14.184 -5.032) 15.050 6.345 ( -0.000 -3.717 -1.887) 4.168 6.414 ( -0.000 -2.635 -7.503) 7.952 7.870 ( 0.000 -16.063 5.962) 17.134 8.228 ( -0.000 0.037 -4.008) 4.008 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -0.534 10.740 0.584) 10.769 1.009 ( -1.270 3.971 3.427) 5.396 1.427 ( -1.517 0.550 3.374) 3.740 1.651 ( 1.890 12.314 -0.096) 12.458 2.280 ( 4.414 17.611 0.916) 18.179 2.394 ( 4.660 5.503 -1.349) 7.336 5.520 ( -0.718 6.093 1.601) 6.341 6.096 ( 2.081 5.697 -1.383) 6.221 6.250 ( -2.800 0.048 -4.660) 5.437 6.393 ( 1.992 -2.789 -6.750) 7.570 7.691 ( -3.661 -17.277 5.600) 18.527 8.206 ( -1.434 0.054 -4.217) 4.454 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -1.016 8.253 -0.516) 8.331 1.054 ( 0.022 5.761 1.608) 5.981 1.385 ( -2.674 -2.657 0.128) 3.771 1.835 ( 4.713 13.550 0.374) 14.351 2.340 ( 0.366 5.341 -2.543) 5.926 2.778 ( 14.572 20.333 1.100) 25.040 5.582 ( -0.133 6.845 1.133) 6.939 5.993 ( -9.334 -1.953 -0.920) 9.580 6.360 ( 7.094 4.733 -2.098) 8.782 6.379 ( 2.456 -1.225 -7.455) 7.944 7.454 ( -6.410 -16.429 3.876) 18.057 8.150 ( -2.899 -1.472 -3.743) 4.958 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 1.255 8.144 2.891) 8.733 1.118 ( 0.516 5.711 -0.508) 5.757 1.304 ( -2.569 -2.562 -2.325) 4.309 2.060 ( 6.280 12.193 -0.338) 13.719 2.416 ( 1.340 6.724 1.113) 6.946 3.216 ( 14.981 17.187 -0.498) 22.805 5.630 ( -1.966 4.158 -0.369) 4.614 5.847 ( -7.586 4.432 1.664) 8.942 6.372 ( 2.144 -1.604 -4.747) 5.450 6.529 ( 6.829 3.659 -2.987) 8.303 7.193 ( -7.658 -13.592 1.816) 15.706 8.066 ( -2.574 -3.562 -2.692) 5.153 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -2.116 0.434 2.099) 3.012 1.158 ( 0.496 4.474 1.864) 4.872 1.305 ( 3.282 6.287 -2.946) 7.680 2.248 ( 4.533 5.779 -0.786) 7.387 2.514 ( -0.041 10.819 1.691) 10.950 3.598 ( 13.265 11.667 0.046) 17.666 5.600 ( -3.427 2.707 0.897) 4.458 5.846 ( -3.264 9.851 2.463) 10.666 6.387 ( 2.248 -1.384 -2.575) 3.688 6.616 ( 1.076 0.230 -2.785) 2.995 6.976 ( -5.073 -6.797 -0.344) 8.489 7.996 ( 0.529 -5.148 -0.867) 5.247 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -1.604 -1.438 0.407) 2.193 1.208 ( -0.515 4.431 1.116) 4.598 1.440 ( 4.241 6.244 -1.336) 7.665 2.289 ( -1.417 -1.713 -0.199) 2.232 2.641 ( -1.081 15.702 -0.502) 15.747 3.878 ( 9.786 5.097 1.365) 11.118 5.623 ( 0.782 5.664 4.294) 7.151 5.903 ( -1.877 8.907 1.475) 9.221 6.377 ( -1.771 -2.958 0.591) 3.498 6.573 ( -2.067 -0.573 -2.600) 3.371 6.895 ( -1.464 -0.384 -2.965) 3.329 7.988 ( 4.325 -5.201 1.300) 6.888 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 0.667 -0.384 0.173) 0.789 1.235 ( -1.489 4.040 0.658) 4.355 1.533 ( 2.331 2.223 -2.593) 4.135 2.209 ( -4.051 -2.686 -0.091) 4.861 2.747 ( -4.530 15.093 -1.613) 15.840 4.030 ( 4.964 -0.796 2.319) 5.536 5.750 ( 4.723 6.032 6.507) 10.051 5.967 ( -0.138 7.561 0.648) 7.590 6.283 ( -4.961 -2.337 0.825) 5.546 6.558 ( -1.181 2.334 -0.671) 2.701 6.857 ( -1.276 -1.135 -4.347) 4.670 8.037 ( 5.686 -4.120 2.433) 7.431 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 2.489 0.157 -0.040) 2.495 1.238 ( -2.562 3.096 0.596) 4.063 1.548 ( 0.260 -1.191 -3.116) 3.346 2.142 ( -1.117 -0.758 0.562) 1.462 2.758 ( -9.250 11.803 -1.551) 15.076 4.042 ( -1.251 -4.708 2.254) 5.367 5.904 ( 5.331 2.260 7.710) 9.642 6.050 ( -0.128 7.965 -1.730) 8.152 6.210 ( -0.753 -0.084 0.817) 1.114 6.544 ( -4.219 3.314 0.820) 5.427 6.808 ( -0.313 -2.806 -5.124) 5.850 8.100 ( 4.927 -3.254 1.987) 6.230 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -0.000 9.910 -1.146) 9.976 1.045 ( 0.000 2.027 0.326) 2.053 1.452 ( 0.000 -1.283 1.305) 1.830 1.744 ( -0.000 11.799 -1.524) 11.898 2.345 ( -0.000 1.123 -6.771) 6.863 2.506 ( 0.000 27.321 5.517) 27.873 5.576 ( -0.000 4.803 -1.093) 4.926 6.144 ( 0.000 6.432 0.057) 6.432 6.284 ( 0.000 -1.648 1.010) 1.933 6.296 ( -0.000 -1.845 -11.710) 11.854 7.562 ( 0.000 -18.582 5.880) 19.490 8.210 ( -0.000 0.447 -4.240) 4.263 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -0.684 4.168 -1.534) 4.494 1.101 ( 0.534 6.584 -1.707) 6.823 1.403 ( -2.582 -3.340 -1.227) 4.397 1.887 ( 3.581 12.042 -1.398) 12.641 2.358 ( 1.682 2.915 -3.724) 5.020 2.840 ( 5.777 26.570 2.302) 27.288 5.627 ( 1.392 4.488 -2.049) 5.126 6.098 ( -5.358 -2.171 -5.242) 7.804 6.302 ( 1.711 -1.709 -3.711) 4.429 6.322 ( 3.627 6.925 -0.322) 7.824 7.373 ( -2.847 -18.226 5.118) 19.144 8.179 ( -2.554 -0.149 -4.094) 4.827 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 1.928 4.750 0.086) 5.127 1.165 ( 0.313 6.159 -1.569) 6.364 1.315 ( -2.660 -3.006 -2.905) 4.955 2.073 ( 5.058 10.672 -1.074) 11.859 2.441 ( 4.042 5.200 0.568) 6.611 3.205 ( 8.326 22.237 -0.145) 23.745 5.683 ( 0.384 3.498 -2.420) 4.271 5.993 ( -4.294 2.461 -2.542) 5.563 6.297 ( 1.485 -1.585 -5.037) 5.485 6.467 ( 5.506 5.711 0.810) 7.975 7.153 ( -4.477 -16.295 3.728) 17.305 8.094 ( -4.833 -1.676 -3.917) 6.443 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -1.094 -1.121 -0.084) 1.569 1.201 ( 0.571 3.314 2.859) 4.413 1.309 ( 2.734 6.818 -3.676) 8.214 2.232 ( 3.778 5.526 -0.210) 6.697 2.595 ( 4.759 10.064 2.009) 11.312 3.534 ( 8.712 15.317 -0.690) 17.635 5.681 ( -2.398 3.106 -2.409) 4.605 5.995 ( -2.377 7.286 2.206) 7.975 6.300 ( 3.097 -2.097 -5.690) 6.809 6.607 ( 3.727 4.895 1.078) 6.246 6.951 ( -3.099 -11.695 1.692) 12.216 7.975 ( -4.360 -3.612 -3.260) 6.533 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -2.015 -2.441 -0.021) 3.165 1.260 ( 0.413 4.293 1.301) 4.505 1.435 ( 3.556 6.244 -0.484) 7.201 2.291 ( 0.109 -0.305 0.635) 0.713 2.796 ( 2.863 15.800 0.831) 16.079 3.780 ( 7.695 6.634 0.022) 10.160 5.689 ( -0.685 5.467 0.374) 5.522 6.023 ( -3.078 5.351 3.915) 7.310 6.321 ( 3.639 -2.858 -5.060) 6.857 6.649 ( -4.284 3.838 3.291) 6.627 6.875 ( 2.159 -2.702 -2.763) 4.426 7.885 ( 0.354 -5.138 -1.456) 5.352 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.385 -1.204 0.075) 1.267 1.303 ( -0.831 4.515 1.088) 4.718 1.520 ( 1.564 2.330 -0.733) 2.900 2.247 ( -3.145 -2.485 0.529) 4.043 2.975 ( -2.249 18.222 -0.405) 18.365 3.923 ( 6.247 -1.538 1.126) 6.531 5.762 ( 2.110 4.819 2.834) 5.976 6.033 ( -1.478 3.337 4.388) 5.707 6.316 ( 0.498 -2.861 -3.811) 4.791 6.633 ( -3.849 7.077 2.755) 8.514 6.869 ( -1.432 -0.154 -4.495) 4.720 7.889 ( 5.915 -5.059 0.347) 7.791 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 1.451 -0.341 -0.128) 1.496 1.322 ( -2.504 4.070 1.189) 4.925 1.531 ( -0.189 -1.009 -1.378) 1.718 2.172 ( -2.879 -1.496 1.147) 3.441 3.048 ( -8.990 15.789 -0.880) 18.190 3.975 ( 3.779 -5.927 1.582) 7.205 5.849 ( 4.020 -0.249 5.010) 6.428 6.082 ( 1.350 4.488 0.747) 4.746 6.273 ( -2.245 0.232 -1.730) 2.843 6.663 ( -3.486 8.594 2.014) 9.490 6.795 ( -3.417 -2.737 -4.017) 5.942 7.962 ( 7.106 -4.143 0.104) 8.226 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -0.000 1.572 -1.132) 1.937 1.159 ( -0.000 6.975 -3.776) 7.931 1.379 ( -0.000 -4.703 -3.944) 6.138 1.962 ( -0.000 11.547 -2.185) 11.752 2.345 ( -0.000 1.335 -3.064) 3.342 3.072 ( 0.000 27.467 1.659) 27.517 5.632 ( -0.000 2.558 -4.351) 5.048 6.063 ( -0.000 -5.403 -14.283) 15.271 6.307 ( 0.000 2.460 3.622) 4.378 6.361 ( 0.000 7.079 2.150) 7.398 7.235 ( 0.000 -18.162 5.420) 18.953 8.195 ( -0.000 0.606 -3.954) 4.000 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 1.696 2.134 -0.980) 2.897 1.213 ( 0.242 5.579 -2.316) 6.045 1.304 ( -1.228 -3.807 -5.636) 6.911 2.097 ( 3.376 10.275 -1.473) 10.915 2.387 ( 4.747 1.010 -0.537) 4.883 3.353 ( 2.326 24.432 0.122) 24.543 5.667 ( 2.808 2.120 -4.350) 5.595 5.978 ( 1.366 -3.215 -13.798) 14.233 6.321 ( -2.820 3.312 2.714) 5.127 6.460 ( 2.674 5.686 2.889) 6.916 7.061 ( -2.068 -16.447 5.085) 17.339 8.156 ( -3.932 0.341 -3.968) 5.597 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 1.485 0.031 -0.399) 1.537 1.213 ( -0.063 -1.033 0.310) 1.080 1.318 ( 2.783 6.777 -4.281) 8.485 2.229 ( 2.639 5.145 0.557) 5.808 2.538 ( 10.109 4.642 0.187) 11.125 3.608 ( 2.675 18.697 -0.616) 18.897 5.710 ( 0.860 2.496 -5.554) 6.149 6.001 ( 6.255 1.114 -8.141) 10.327 6.297 ( -4.041 2.441 2.076) 5.157 6.570 ( 4.795 2.879 1.142) 5.708 6.895 ( -2.574 -11.567 5.083) 12.894 8.047 ( -7.085 -0.462 -4.054) 8.176 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -1.769 -2.801 -0.616) 3.370 1.271 ( 2.807 2.800 0.182) 3.969 1.434 ( 3.416 5.800 -0.406) 6.743 2.283 ( 0.768 -0.328 1.398) 1.628 2.802 ( 11.826 10.005 0.190) 15.492 3.786 ( 1.293 10.601 -0.580) 10.695 5.735 ( 0.538 4.365 -4.369) 6.199 6.094 ( 2.858 1.993 -2.410) 4.236 6.254 ( -2.288 -0.236 0.845) 2.450 6.694 ( 7.636 0.976 -1.259) 7.801 6.799 ( -1.672 -3.386 5.101) 6.346 7.903 ( -6.900 -1.258 -3.290) 7.747 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -0.959 -1.488 -0.170) 1.778 1.340 ( 1.670 3.417 0.189) 3.808 1.516 ( 1.399 2.040 0.169) 2.479 2.263 ( -1.460 -2.693 0.650) 3.132 3.102 ( 8.444 14.574 0.187) 16.844 3.850 ( 0.107 0.679 -0.135) 0.701 5.781 ( 0.750 3.382 -1.100) 3.635 6.118 ( -1.549 3.103 3.472) 4.907 6.228 ( 1.442 -3.415 -3.409) 5.037 6.775 ( -2.259 4.163 4.655) 6.641 6.830 ( 5.449 0.251 -3.494) 6.478 7.802 ( -1.562 -1.821 -1.235) 2.698 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.299 -0.493 -0.054) 0.579 1.391 ( -0.178 3.881 0.650) 3.939 1.521 ( -0.535 -1.715 -0.402) 1.841 2.203 ( -2.385 -2.357 0.582) 3.403 3.324 ( -2.391 17.289 -0.151) 17.454 3.830 ( 3.406 -8.408 0.496) 9.085 5.808 ( 1.288 -0.652 1.623) 2.172 6.132 ( -2.785 1.884 2.628) 4.268 6.236 ( 4.317 0.094 -3.276) 5.421 6.780 ( -1.848 0.349 1.972) 2.725 6.862 ( -3.221 5.138 -1.941) 6.367 7.815 ( 4.879 -1.915 -0.439) 5.259 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -0.000 1.497 -0.961) 1.779 1.239 ( -0.000 -3.573 -0.412) 3.597 1.266 ( -0.000 4.194 -9.001) 9.930 2.163 ( -0.000 10.106 -1.526) 10.221 2.337 ( 0.000 -1.871 1.145) 2.193 3.567 ( 0.000 22.413 -0.771) 22.426 5.640 ( -0.000 1.454 -3.980) 4.238 5.879 ( -0.000 -3.038 -16.250) 16.532 6.402 ( 0.000 4.418 2.825) 5.244 6.499 ( 0.000 4.598 3.113) 5.553 6.938 ( 0.000 -14.875 5.610) 15.898 8.189 ( -0.000 1.189 -3.788) 3.970 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 1.840 0.940 -0.425) 2.109 1.183 ( 0.370 -3.736 -2.517) 4.520 1.325 ( 2.198 6.266 -3.498) 7.506 2.250 ( 0.347 4.061 1.157) 4.237 2.397 ( 8.689 1.372 0.396) 8.805 3.766 ( 0.348 17.964 -1.367) 18.020 5.680 ( 3.090 2.421 -4.489) 5.963 5.853 ( 5.280 -0.408 -12.903) 13.947 6.415 ( -3.889 3.415 2.319) 5.671 6.539 ( 0.737 -0.009 0.850) 1.125 6.833 ( 0.077 -8.838 6.544) 10.997 8.147 ( -4.891 1.258 -3.871) 6.363 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -1.089 -2.422 -1.098) 2.874 1.226 ( 4.364 1.356 -0.736) 4.628 1.429 ( 3.385 5.278 -0.199) 6.273 2.267 ( 0.500 -1.981 2.106) 2.935 2.638 ( 14.594 5.562 -0.121) 15.619 3.905 ( -1.268 11.941 -1.334) 12.082 5.736 ( 1.963 4.626 -7.221) 8.798 5.971 ( 9.419 1.062 -6.146) 11.297 6.351 ( -5.273 -1.004 3.372) 6.339 6.554 ( 3.720 -2.003 -0.798) 4.300 6.813 ( 0.549 -1.778 5.971) 6.254 8.034 ( -8.308 1.534 -3.507) 9.147 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -1.058 -1.036 -0.383) 1.529 1.312 ( 4.172 1.659 -0.856) 4.571 1.513 ( 1.590 2.115 0.865) 2.784 2.247 ( -0.080 -3.628 0.563) 3.672 2.972 ( 17.141 6.774 0.302) 18.434 3.933 ( -4.923 5.012 -1.087) 7.109 5.796 ( 1.064 4.676 -4.632) 6.667 6.075 ( 4.261 -0.095 -4.787) 6.409 6.277 ( -3.914 -0.600 5.019) 6.393 6.657 ( 10.130 -0.239 -2.460) 10.427 6.827 ( 0.281 -0.877 4.793) 4.881 7.899 ( -8.328 2.419 -1.785) 8.854 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 0.000 1.321 -0.058) 1.323 1.131 ( -0.000 -3.370 -2.690) 4.312 1.355 ( -0.000 5.861 -1.397) 6.026 2.282 ( 0.000 -4.959 3.192) 5.897 2.330 ( 0.000 7.369 0.016) 7.369 3.919 ( -0.000 14.402 -2.132) 14.559 5.658 ( -0.000 2.231 -0.979) 2.437 5.778 ( -0.000 2.560 -14.117) 14.348 6.485 ( 0.000 2.799 -0.237) 2.809 6.516 ( -0.000 -4.858 -0.748) 4.915 6.787 ( 0.000 -3.559 8.091) 8.840 8.193 ( -0.000 1.540 -3.908) 4.201 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -0.362 -1.374 -1.217) 1.871 1.165 ( 3.336 0.965 -0.180) 3.477 1.431 ( 2.172 5.150 1.289) 5.736 2.238 ( 0.008 -4.592 2.651) 5.302 2.477 ( 9.302 4.788 0.778) 10.491 4.024 ( -0.819 9.517 -2.257) 9.815 5.724 ( 3.252 4.902 -3.818) 7.013 5.822 ( 6.225 3.600 -7.691) 10.529 6.394 ( -4.522 -6.063 -0.657) 7.592 6.528 ( 1.262 0.752 -0.906) 1.726 6.801 ( 0.628 -0.816 6.839) 6.916 8.155 ( -4.749 1.759 -3.795) 6.329 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -0.792 0.152 -0.386) 0.894 1.242 ( 4.665 0.626 -0.791) 4.773 1.511 ( 1.544 2.430 2.262) 3.661 2.205 ( 0.410 -4.331 0.744) 4.413 2.734 ( 15.613 3.302 1.243) 16.007 4.050 ( -3.463 4.097 -2.123) 5.769 5.812 ( 1.819 7.372 -6.996) 10.325 5.980 ( 7.742 2.520 -2.088) 8.405 6.281 ( -0.708 -5.484 1.297) 5.679 6.558 ( 2.352 1.153 -0.706) 2.713 6.815 ( 0.204 -1.883 4.810) 5.169 8.060 ( -7.410 2.700 -2.540) 8.285 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -0.000 0.542 -0.526) 0.756 1.146 ( 0.000 0.843 0.701) 1.096 1.471 ( 0.000 4.966 3.864) 6.292 2.196 ( 0.000 -5.001 2.387) 5.541 2.441 ( 0.000 3.317 1.460) 3.624 4.098 ( -0.000 5.421 -2.585) 6.006 5.718 ( 0.000 3.319 2.594) 4.213 5.812 ( -0.000 8.373 -10.985) 13.812 6.383 ( -0.000 -6.055 -1.012) 6.139 6.494 ( -0.000 -0.848 -3.654) 3.751 6.821 ( 0.000 0.242 7.271) 7.275 8.198 ( -0.000 1.403 -4.228) 4.455 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -0.589 1.828 -0.138) 1.925 1.180 ( 2.788 0.406 0.303) 2.834 1.531 ( 0.278 2.829 4.825) 5.600 2.163 ( 0.177 -3.252 1.013) 3.411 2.547 ( 9.153 1.023 1.895) 9.403 4.108 ( -1.507 0.539 -2.588) 3.043 5.816 ( 4.893 5.149 -0.204) 7.107 5.895 ( 3.759 8.000 -6.647) 11.060 6.280 ( -4.372 -3.978 -0.344) 5.921 6.505 ( 3.400 -2.181 -3.308) 5.221 6.831 ( -1.166 -0.613 6.323) 6.459 8.166 ( -3.663 1.701 -3.785) 5.535 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -0.000 2.861 -0.394) 2.888 1.161 ( 0.000 0.043 0.864) 0.865 1.573 ( 0.000 1.612 6.102) 6.311 2.149 ( 0.000 0.078 1.110) 1.113 2.469 ( 0.000 -1.733 1.933) 2.596 4.096 ( -0.000 -4.156 -2.640) 4.924 5.810 ( 0.000 3.322 5.038) 6.035 5.938 ( -0.000 10.272 -12.499) 16.178 6.316 ( 0.000 -0.226 3.316) 3.324 6.411 ( -0.000 -4.337 -5.993) 7.398 6.857 ( 0.000 -0.848 6.293) 6.350 8.197 ( -0.000 1.318 -4.449) 4.640 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 0.000 -0.000 15.489) 15.489 0.694 ( 0.000 -0.000 15.489) 15.489 1.269 ( 0.000 -0.000 33.306) 33.306 1.322 ( -0.000 0.000 -2.292) 2.292 1.322 ( -0.000 0.000 -2.292) 2.292 2.914 ( -0.000 0.000 -15.862) 15.862 5.336 ( 0.000 -0.000 4.326) 4.326 5.336 ( 0.000 -0.000 4.326) 4.326 6.471 ( -0.000 0.000 -3.040) 3.040 6.471 ( -0.000 0.000 -3.040) 3.040 8.098 ( 0.000 -0.000 1.028) 1.028 8.375 ( -0.000 0.000 -0.665) 0.665 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -0.491 -0.283 15.938) 15.948 0.799 ( -0.214 -0.124 16.335) 16.337 1.310 ( 2.493 1.439 6.909) 7.485 1.336 ( 2.597 1.499 -1.732) 3.463 1.624 ( 17.085 9.864 13.369) 23.831 2.657 ( -13.698 -7.909 -8.128) 17.784 5.343 ( 0.446 0.258 4.115) 4.147 5.642 ( 19.512 11.265 -4.916) 23.061 6.386 ( -5.429 -3.134 -3.136) 7.010 6.477 ( -0.056 -0.032 -3.137) 3.138 8.089 ( -2.246 -1.296 2.306) 3.470 8.283 ( -6.041 -3.488 -0.992) 7.045 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 4.727 2.729 11.115) 12.383 0.819 ( -1.966 -1.135 15.228) 15.396 1.397 ( 2.658 1.535 2.730) 4.108 1.432 ( 6.310 3.643 -0.103) 7.287 2.053 ( 16.859 9.734 1.794) 19.550 2.416 ( -3.611 -2.085 -1.841) 4.558 5.379 ( 1.682 0.971 3.483) 3.988 6.015 ( 12.720 7.344 -5.916) 15.834 6.227 ( -5.699 -3.291 -4.566) 8.010 6.455 ( -0.890 -0.514 -3.132) 3.297 7.943 ( -11.484 -6.630 4.916) 14.143 8.193 ( -1.345 -0.777 -3.663) 3.979 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -0.228 -0.132 9.203) 9.206 0.900 ( 5.109 2.949 5.189) 7.856 1.409 ( -2.035 -1.175 0.181) 2.357 1.622 ( 10.198 5.888 1.398) 11.859 2.242 ( 3.981 2.299 -5.239) 6.970 2.638 ( 19.029 10.986 2.412) 22.105 5.437 ( 2.672 1.543 2.500) 3.972 5.947 ( -10.323 -5.960 -0.079) 11.920 6.351 ( 11.331 6.542 -7.798) 15.231 6.426 ( -0.701 -0.405 -2.631) 2.753 7.655 ( -14.517 -8.381 2.810) 16.997 8.157 ( -1.351 -0.780 -2.469) 2.921 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 5.361 3.095 5.148) 8.051 1.009 ( 3.723 2.150 1.596) 4.586 1.331 ( -3.998 -2.308 -1.225) 4.777 1.880 ( 11.854 6.844 1.217) 13.742 2.326 ( 4.025 2.324 -2.377) 5.220 3.100 ( 20.509 11.841 0.587) 23.689 5.511 ( 3.336 1.926 1.097) 4.005 5.718 ( -9.456 -5.459 1.866) 11.077 6.414 ( 0.245 0.141 -1.256) 1.287 6.548 ( 7.835 4.524 -6.947) 11.407 7.325 ( -14.923 -8.616 0.804) 17.250 8.120 ( -1.336 -0.771 -0.456) 1.609 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 5.672 3.275 3.628) 7.487 1.082 ( 2.574 1.486 0.026) 2.972 1.260 ( -0.254 -0.147 -2.051) 2.072 2.139 ( 10.596 6.118 -0.028) 12.236 2.378 ( 0.586 0.338 -1.595) 1.733 3.536 ( 17.569 10.143 1.177) 20.321 5.564 ( -4.524 -2.612 5.116) 7.311 5.591 ( 3.699 2.136 -0.688) 4.326 6.429 ( 0.950 0.548 0.917) 1.429 6.644 ( 1.873 1.081 -7.261) 7.576 7.020 ( -10.986 -6.343 -0.051) 12.686 8.103 ( -0.269 -0.155 1.885) 1.910 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -1.037 -0.599 0.979) 1.547 1.128 ( 1.658 0.957 -0.621) 2.013 1.365 ( 7.803 4.505 -2.443) 9.336 2.333 ( -3.954 -2.283 -2.036) 4.999 2.342 ( 7.378 4.260 -1.209) 8.605 3.877 ( 11.923 6.884 2.207) 13.944 5.562 ( 2.465 1.423 8.689) 9.144 5.672 ( 3.866 2.232 -2.485) 5.109 6.453 ( 0.381 0.220 3.223) 3.253 6.553 ( -7.230 -4.174 -4.214) 9.352 6.888 ( -1.045 -0.604 -3.263) 3.479 8.119 ( 0.818 0.472 3.854) 3.968 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.760 0.439 0.309) 0.930 1.154 ( 0.825 0.476 -0.863) 1.286 1.512 ( 5.625 3.248 -5.175) 8.305 2.216 ( -4.882 -2.818 -1.849) 5.932 2.456 ( 3.112 1.796 -1.869) 4.050 4.073 ( 4.679 2.702 2.731) 6.054 5.711 ( 7.566 4.368 10.896) 13.966 5.748 ( 3.695 2.133 -3.982) 5.836 6.388 ( -5.423 -3.131 -2.008) 6.576 6.454 ( -1.528 -0.882 5.022) 5.323 6.877 ( 0.351 0.203 -5.278) 5.294 8.156 ( 1.192 0.688 4.754) 4.949 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 0.000 -0.732 16.348) 16.365 0.903 ( 0.000 5.626 8.567) 10.249 1.332 ( 0.000 4.031 2.775) 4.894 1.370 ( -0.000 5.862 -2.216) 6.267 1.626 ( 0.000 13.856 21.142) 25.278 2.632 ( -0.000 -13.780 -10.859) 17.544 5.403 ( 0.000 3.011 3.481) 4.602 5.586 ( -0.000 19.075 -2.857) 19.288 6.407 ( -0.000 -3.080 -2.378) 3.891 6.446 ( -0.000 -1.931 -4.101) 4.533 8.089 ( 0.000 -3.293 2.356) 4.049 8.279 ( -0.000 -7.097 -1.112) 7.184 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 1.343 3.836 11.716) 12.401 0.947 ( -2.642 3.990 7.967) 9.294 1.395 ( 0.911 3.488 3.349) 4.921 1.436 ( 1.269 9.058 -0.479) 9.159 1.941 ( 11.369 15.069 9.675) 21.212 2.435 ( -4.208 -7.387 -7.047) 11.042 5.422 ( -1.572 4.477 3.148) 5.694 5.873 ( 11.533 14.016 -5.133) 18.863 6.294 ( -6.637 -4.144 -2.639) 8.257 6.431 ( 1.050 -2.397 -4.159) 4.914 8.001 ( -4.596 -11.410 4.910) 13.244 8.200 ( -1.667 -1.542 -3.588) 4.247 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 0.939 3.415 5.574) 6.604 0.963 ( -2.293 4.997 6.775) 8.725 1.423 ( -0.930 -0.576 1.573) 1.916 1.588 ( 4.787 11.284 1.318) 12.328 2.213 ( 2.722 6.915 -3.933) 8.409 2.476 ( 13.216 9.875 1.796) 16.595 5.464 ( -0.279 5.300 2.882) 6.039 6.055 ( -6.418 -2.837 0.519) 7.036 6.214 ( 8.206 6.674 -6.921) 12.640 6.407 ( 0.501 -2.119 -4.131) 4.670 7.763 ( -9.576 -13.637 3.441) 17.015 8.162 ( -1.264 -0.689 -3.014) 3.340 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 1.369 5.638 3.678) 6.869 1.018 ( 0.499 5.072 3.341) 6.094 1.364 ( -3.365 -3.160 -0.323) 4.628 1.815 ( 7.576 11.974 1.689) 14.270 2.297 ( 2.770 5.395 -1.718) 6.304 2.898 ( 18.623 14.866 0.139) 23.829 5.527 ( 0.229 5.637 2.189) 6.051 5.853 ( -10.472 -3.628 2.306) 11.320 6.390 ( 1.307 -1.386 -3.849) 4.294 6.428 ( 9.142 5.469 -5.412) 11.949 7.456 ( -11.995 -12.579 1.095) 17.416 8.119 ( -1.101 -2.249 -1.354) 2.847 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 3.998 7.732 5.008) 10.042 1.082 ( 0.902 4.125 0.879) 4.313 1.273 ( -2.735 -2.429 -1.406) 3.919 2.066 ( 8.101 10.696 0.557) 13.429 2.381 ( 1.070 4.460 -0.382) 4.602 3.350 ( 17.901 13.248 0.308) 22.272 5.576 ( -0.781 2.045 1.719) 2.783 5.700 ( -6.862 3.480 4.677) 9.004 6.401 ( 2.230 -0.701 -1.865) 2.991 6.576 ( 5.197 2.544 -5.789) 8.185 7.141 ( -11.687 -9.644 -0.472) 15.159 8.084 ( 0.557 -3.368 0.768) 3.499 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -1.681 -0.215 1.768) 2.449 1.132 ( 0.190 3.413 1.165) 3.612 1.303 ( 5.213 6.043 -1.031) 8.047 2.270 ( 5.177 4.941 -1.066) 7.235 2.409 ( -2.372 6.126 -0.730) 6.609 3.738 ( 14.212 9.227 1.557) 17.016 5.573 ( 0.045 1.001 6.445) 6.523 5.717 ( -1.966 8.989 1.918) 9.399 6.430 ( 1.824 -1.395 0.738) 2.412 6.593 ( -2.050 -1.850 -4.967) 5.683 6.917 ( -5.492 -3.217 -2.500) 6.838 8.084 ( 2.731 -3.461 2.842) 5.245 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -0.647 -0.626 0.776) 1.189 1.165 ( -0.330 3.068 -0.075) 3.087 1.449 ( 4.815 5.047 -2.618) 7.450 2.260 ( -3.978 -2.854 -1.997) 5.287 2.487 ( -0.057 10.626 -1.404) 10.719 4.003 ( 8.387 4.116 2.465) 9.662 5.666 ( 4.983 4.082 8.192) 10.421 5.786 ( -0.917 9.265 0.584) 9.329 6.387 ( -3.098 -6.667 1.021) 7.423 6.524 ( -2.220 1.405 -0.223) 2.637 6.856 ( -0.369 -0.303 -5.123) 5.145 8.119 ( 3.672 -2.881 3.966) 6.124 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.000 7.011 8.210) 10.796 1.006 ( 0.000 2.291 1.984) 3.030 1.438 ( 0.000 3.726 2.032) 4.244 1.520 ( -0.000 10.307 -2.022) 10.504 2.053 ( 0.000 19.631 12.286) 23.158 2.370 ( -0.000 -5.902 -9.026) 10.784 5.487 ( 0.000 4.062 0.909) 4.162 5.915 ( -0.000 15.750 -2.409) 15.933 6.335 ( -0.000 -3.074 -0.277) 3.086 6.346 ( -0.000 -4.837 -7.380) 8.824 7.922 ( 0.000 -15.654 5.358) 16.545 8.193 ( -0.000 -0.348 -3.744) 3.760 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -1.246 6.693 2.321) 7.193 1.030 ( -0.011 2.465 1.232) 2.755 1.447 ( -1.714 -0.403 1.111) 2.082 1.647 ( 2.893 11.978 -0.811) 12.349 2.267 ( -0.509 7.461 -3.520) 8.265 2.402 ( 8.601 14.626 2.877) 17.210 5.529 ( 0.102 4.950 0.345) 4.963 6.090 ( 2.911 8.013 0.020) 8.525 6.206 ( -3.829 -1.160 -5.094) 6.478 6.343 ( 2.005 -3.321 -3.852) 5.467 7.738 ( -4.239 -17.235 4.531) 18.318 8.171 ( -1.283 -0.088 -3.452) 3.684 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 0.093 7.089 -1.426) 7.232 1.069 ( 0.425 3.841 1.488) 4.141 1.385 ( -3.071 -3.589 -0.009) 4.724 1.838 ( 5.269 12.690 0.227) 13.742 2.322 ( 1.653 6.632 -1.341) 6.965 2.786 ( 13.469 19.723 0.657) 23.893 5.591 ( 0.475 5.634 0.705) 5.698 5.992 ( -8.205 -2.723 0.524) 8.661 6.314 ( 4.232 1.450 -5.869) 7.379 6.347 ( 4.822 3.454 -1.513) 6.121 7.483 ( -7.413 -16.270 2.531) 18.057 8.121 ( -2.392 -1.805 -2.549) 3.935 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 3.552 9.382 1.158) 10.098 1.121 ( 0.464 4.072 1.074) 4.237 1.290 ( -3.185 -3.798 -0.817) 5.024 2.058 ( 6.293 11.301 -0.029) 12.935 2.427 ( 1.609 7.932 1.319) 8.200 3.211 ( 15.040 16.998 -0.503) 22.702 5.632 ( -1.591 2.905 0.766) 3.400 5.873 ( -6.343 4.335 3.937) 8.633 6.326 ( 3.221 -2.219 -5.095) 6.423 6.507 ( 5.740 5.273 -2.124) 8.079 7.203 ( -8.667 -13.332 0.393) 15.907 8.049 ( -1.620 -4.181 -1.013) 4.597 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -1.566 0.092 0.421) 1.624 1.186 ( -1.078 2.941 3.345) 4.583 1.286 ( 4.554 7.286 -1.178) 8.673 2.241 ( 4.383 5.922 -0.763) 7.408 2.527 ( -0.822 11.036 1.264) 11.138 3.600 ( 13.919 11.572 0.305) 18.103 5.621 ( -1.626 2.080 3.585) 4.452 5.878 ( -3.939 9.553 4.646) 11.330 6.357 ( 4.250 -2.138 -3.677) 6.013 6.595 ( -0.029 2.454 -1.849) 3.073 6.965 ( -6.074 -7.238 -2.230) 9.708 7.997 ( 1.769 -5.871 1.084) 6.227 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -1.614 -1.832 0.825) 2.577 1.218 ( -0.917 4.489 1.075) 4.706 1.431 ( 3.616 6.224 -0.645) 7.227 2.282 ( -1.660 -1.006 -1.274) 2.322 2.638 ( -1.944 15.574 -0.213) 15.697 3.892 ( 10.449 4.995 1.486) 11.676 5.673 ( 2.225 4.646 6.479) 8.277 5.926 ( -2.980 9.284 3.719) 10.436 6.373 ( 0.276 -3.941 -1.431) 4.202 6.556 ( -3.036 1.061 -1.084) 3.394 6.861 ( -1.807 -0.625 -4.590) 4.972 8.006 ( 5.232 -5.934 2.640) 8.340 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -0.000 7.011 -0.714) 7.048 1.041 ( -0.000 1.499 -1.156) 1.893 1.453 ( -0.000 -2.750 -0.890) 2.891 1.724 ( -0.000 11.796 -2.762) 12.115 2.283 ( -0.000 2.455 -6.642) 7.081 2.558 ( 0.000 25.007 5.680) 25.644 5.559 ( -0.000 3.549 -2.625) 4.415 6.137 ( -0.000 -0.940 -3.354) 3.483 6.207 ( -0.000 4.951 -6.089) 7.848 6.301 ( 0.000 -0.734 2.616) 2.717 7.611 ( 0.000 -18.528 4.832) 19.148 8.175 ( -0.000 0.322 -3.424) 3.439 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -1.070 5.283 -3.828) 6.612 1.087 ( 1.478 4.029 -1.469) 4.535 1.389 ( -2.149 -4.708 -1.710) 5.450 1.872 ( 4.240 11.879 -1.992) 12.769 2.326 ( 3.074 4.294 -3.201) 6.176 2.861 ( 4.754 25.271 2.351) 25.821 5.604 ( 2.371 3.345 -2.844) 4.990 6.033 ( -2.085 -5.932 -8.575) 10.633 6.285 ( -0.709 2.064 0.637) 2.274 6.335 ( 2.789 6.911 2.212) 7.774 7.415 ( -3.406 -18.037 3.960) 18.778 8.146 ( -2.457 -0.380 -3.186) 4.041 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 3.455 6.484 -1.142) 7.435 1.149 ( 1.167 5.420 -1.799) 5.829 1.296 ( -2.556 -4.717 -1.416) 5.549 2.065 ( 5.401 10.658 -0.793) 11.975 2.443 ( 5.328 5.702 -0.195) 7.807 3.205 ( 7.736 21.911 0.139) 23.237 5.662 ( 1.056 1.948 -2.241) 3.152 5.961 ( 0.491 0.135 -4.557) 4.585 6.272 ( -1.111 0.119 -0.439) 1.200 6.476 ( 4.518 6.658 1.279) 8.147 7.182 ( -5.414 -15.698 2.625) 16.812 8.064 ( -4.444 -2.202 -2.638) 5.617 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -0.973 -1.410 -0.031) 1.713 1.223 ( 0.311 1.230 1.685) 2.109 1.282 ( 4.580 8.767 -1.991) 10.090 2.230 ( 3.776 6.197 -0.085) 7.257 2.608 ( 5.159 9.594 0.718) 10.917 3.530 ( 8.783 15.290 -0.247) 17.635 5.667 ( -0.550 1.648 -0.792) 1.910 6.011 ( 0.681 5.988 1.073) 6.122 6.262 ( 1.370 -1.181 -2.345) 2.962 6.613 ( 3.644 5.854 0.340) 6.904 6.962 ( -5.031 -10.965 0.649) 12.082 7.954 ( -3.380 -4.432 -1.180) 5.697 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -1.798 -2.729 0.315) 3.283 1.269 ( 0.587 3.940 0.614) 4.031 1.432 ( 3.574 6.382 -0.054) 7.315 2.292 ( -0.181 0.297 -0.421) 0.546 2.801 ( 2.586 15.468 0.360) 15.687 3.782 ( 8.206 6.521 0.336) 10.487 5.703 ( 1.442 3.961 2.563) 4.934 6.061 ( -2.443 5.325 4.294) 7.264 6.279 ( 3.671 -3.133 -4.078) 6.319 6.676 ( -4.438 5.892 2.533) 7.799 6.843 ( 0.517 -3.115 -4.338) 5.366 7.883 ( 1.560 -6.012 1.054) 6.300 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -0.000 1.710 -1.695) 2.407 1.111 ( -0.000 6.624 -6.830) 9.514 1.348 ( -0.000 -5.891 -2.880) 6.557 1.940 ( -0.000 11.881 -2.607) 12.164 2.322 ( -0.000 3.107 -2.013) 3.702 3.086 ( 0.000 26.050 1.409) 26.088 5.592 ( -0.000 2.201 -4.302) 4.833 5.937 ( -0.000 -7.388 -13.198) 15.125 6.341 ( 0.000 2.525 3.673) 4.457 6.390 ( 0.000 7.979 4.037) 8.942 7.278 ( 0.000 -17.990 4.160) 18.465 8.161 ( -0.000 0.448 -3.291) 3.321 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 2.049 2.852 -1.219) 3.717 1.172 ( 1.949 6.952 -6.350) 9.615 1.272 ( -1.213 -5.501 -1.678) 5.877 2.084 ( 3.949 10.874 -1.348) 11.647 2.383 ( 4.796 2.100 -0.430) 5.253 3.353 ( 2.222 23.589 -0.018) 23.693 5.630 ( 2.837 1.709 -3.891) 5.110 5.858 ( 3.543 -4.358 -12.236) 13.464 6.349 ( -3.272 3.440 3.381) 5.829 6.490 ( 1.962 5.539 3.699) 6.944 7.102 ( -2.284 -15.893 3.834) 16.507 8.122 ( -3.934 0.102 -3.311) 5.143 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 1.203 -0.582 -0.401) 1.395 1.209 ( 1.100 -1.575 -1.450) 2.407 1.288 ( 4.006 8.535 -1.907) 9.619 2.235 ( 2.888 6.177 0.664) 6.851 2.536 ( 10.223 4.520 -0.605) 11.194 3.603 ( 2.780 18.333 -0.508) 18.550 5.661 ( 1.396 1.099 -5.086) 5.387 5.931 ( 9.164 0.859 -6.931) 11.523 6.324 ( -4.678 3.151 3.552) 6.665 6.581 ( 3.845 1.837 1.327) 4.463 6.936 ( -2.986 -10.179 3.943) 11.318 8.015 ( -6.786 -0.812 -2.842) 7.402 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -0.000 1.891 -0.797) 2.052 1.179 ( -0.000 1.965 -8.808) 9.025 1.243 ( 0.000 0.143 0.185) 0.234 2.150 ( -0.000 10.723 -1.185) 10.789 2.349 ( 0.000 -0.562 1.472) 1.576 3.558 ( 0.000 21.636 -1.100) 21.664 5.610 ( -0.000 2.201 -2.642) 3.439 5.741 ( -0.000 -3.492 -13.832) 14.267 6.422 ( 0.000 3.517 1.645) 3.883 6.534 ( 0.000 3.358 4.615) 5.707 6.983 ( 0.000 -13.902 4.071) 14.486 8.155 ( -0.000 1.023 -3.581) 3.724 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 1.552 0.595 -0.304) 1.690 1.156 ( 1.552 -2.327 -3.199) 4.250 1.304 ( 2.528 7.372 -1.140) 7.876 2.260 ( 1.116 5.775 1.079) 5.980 2.402 ( 7.629 0.994 0.703) 7.725 3.753 ( 0.591 17.469 -1.606) 17.552 5.633 ( 0.919 2.047 -6.119) 6.517 5.758 ( 8.219 0.867 -7.566) 11.205 6.429 ( -3.005 2.327 0.844) 3.893 6.556 ( 0.141 -1.640 2.980) 3.404 6.885 ( -0.065 -7.530 4.683) 8.868 8.113 ( -4.789 1.125 -3.618) 6.107 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -0.000 -2.243 -2.025) 3.022 1.124 ( 0.000 1.644 0.313) 1.674 1.352 ( 0.000 7.577 0.539) 7.596 2.310 ( 0.000 -4.702 2.852) 5.499 2.333 ( 0.000 7.959 0.657) 7.986 3.898 ( -0.000 14.103 -2.375) 14.301 5.657 ( 0.000 3.374 0.753) 3.457 5.657 ( -0.000 3.211 -12.222) 12.637 6.476 ( -0.000 1.638 -1.818) 2.447 6.523 ( 0.000 -6.755 2.154) 7.090 6.849 ( 0.000 -2.415 5.575) 6.075 8.156 ( -0.000 1.406 -4.166) 4.397 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.000 -0.000 12.606) 12.606 0.822 ( 0.000 -0.000 12.606) 12.606 1.298 ( -0.000 0.000 -2.857) 2.857 1.298 ( -0.000 0.000 -2.857) 2.857 1.564 ( 0.000 -0.000 31.815) 31.815 2.754 ( -0.000 0.000 -19.311) 19.311 5.374 ( 0.000 -0.000 3.967) 3.967 5.374 ( 0.000 -0.000 3.967) 3.967 6.444 ( -0.000 0.000 -2.835) 2.835 6.444 ( -0.000 0.000 -2.835) 2.835 8.107 ( 0.000 -0.000 0.929) 0.929 8.369 ( -0.000 0.000 -0.614) 0.614 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -0.903 -0.521 13.681) 13.721 0.923 ( 1.178 0.680 10.833) 10.918 1.321 ( 3.226 1.862 -1.592) 4.050 1.341 ( 3.334 1.925 0.766) 3.925 1.777 ( 10.195 5.886 19.587) 22.852 2.556 ( -9.657 -5.576 -13.738) 17.694 5.380 ( 0.346 0.200 4.008) 4.028 5.611 ( 16.195 9.350 -2.170) 18.825 6.362 ( -5.401 -3.118 -1.945) 6.533 6.447 ( -0.145 -0.084 -3.337) 3.341 8.108 ( -0.865 -0.499 1.781) 2.042 8.274 ( -7.129 -4.116 -1.073) 8.302 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 2.564 1.481 10.175) 10.597 0.938 ( -2.540 -1.466 10.414) 10.819 1.418 ( 1.950 1.126 1.966) 2.989 1.435 ( 7.070 4.082 0.845) 8.208 2.069 ( 10.480 6.051 2.319) 12.322 2.391 ( 1.053 0.608 -3.891) 4.076 5.412 ( 1.414 0.816 3.802) 4.138 5.968 ( 14.650 8.458 -4.545) 17.516 6.200 ( -7.723 -4.459 -1.260) 9.006 6.423 ( -0.809 -0.467 -3.691) 3.807 7.981 ( -12.056 -6.960 3.430) 14.337 8.162 ( -0.974 -0.562 -3.089) 3.287 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -1.636 -0.944 8.470) 8.678 0.948 ( 3.216 1.857 5.222) 6.407 1.411 ( -2.719 -1.570 0.505) 3.180 1.639 ( 10.327 5.962 2.467) 12.177 2.207 ( 4.770 2.754 -2.344) 5.986 2.649 ( 18.418 10.634 -0.027) 21.267 5.464 ( 2.191 1.265 3.392) 4.232 5.961 ( -10.039 -5.796 3.199) 12.025 6.286 ( 11.645 6.723 -6.464) 14.920 6.398 ( -0.274 -0.158 -3.501) 3.515 7.671 ( -15.186 -8.768 0.758) 17.552 8.141 ( -0.792 -0.457 -1.118) 1.444 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 4.438 2.562 8.181) 9.654 1.026 ( 2.723 1.572 2.039) 3.748 1.324 ( -4.408 -2.545 -0.188) 5.093 1.895 ( 11.316 6.533 2.038) 13.225 2.311 ( 4.255 2.457 -0.925) 5.000 3.102 ( 20.756 11.983 -0.163) 23.967 5.527 ( 2.570 1.484 2.515) 3.890 5.754 ( -8.773 -5.065 6.258) 11.907 6.398 ( 1.105 0.638 -2.363) 2.685 6.487 ( 7.671 4.429 -6.422) 10.941 7.324 ( -15.190 -8.770 -0.865) 17.561 8.122 ( -0.627 -0.362 0.890) 1.147 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 2.094 1.209 0.465) 2.462 1.107 ( 4.034 2.329 6.770) 8.218 1.247 ( -0.416 -0.240 -0.884) 1.006 2.142 ( 9.936 5.736 0.635) 11.490 2.363 ( 0.292 0.169 -1.616) 1.651 3.547 ( 18.084 10.441 1.237) 20.918 5.593 ( 2.746 1.585 1.039) 3.336 5.633 ( -3.716 -2.145 9.952) 10.837 6.431 ( 2.053 1.185 -0.368) 2.399 6.583 ( 2.168 1.252 -6.175) 6.664 7.011 ( -11.360 -6.559 -2.082) 13.281 8.125 ( 0.424 0.245 2.914) 2.955 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 0.000 -1.334 14.339) 14.401 0.965 ( 0.000 3.107 5.110) 5.980 1.337 ( -0.000 5.570 -0.729) 5.617 1.346 ( -0.000 6.312 -2.798) 6.904 1.833 ( 0.000 8.368 23.486) 24.932 2.510 ( -0.000 -10.092 -15.951) 18.875 5.429 ( 0.000 2.413 2.170) 3.245 5.574 ( 0.000 16.296 -0.187) 16.297 6.390 ( -0.000 -2.592 -1.189) 2.852 6.409 ( -0.000 -2.937 -3.897) 4.880 8.108 ( 0.000 -1.462 1.830) 2.343 8.270 ( -0.000 -8.438 -1.013) 8.498 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 0.147 0.802 11.186) 11.216 0.997 ( -0.450 1.358 3.165) 3.473 1.412 ( 1.682 4.176 0.658) 4.550 1.433 ( 2.360 9.015 -0.156) 9.320 2.036 ( 5.160 10.958 11.195) 16.494 2.357 ( -0.932 -4.782 -9.879) 11.015 5.447 ( -0.841 3.630 2.270) 4.363 5.838 ( 10.488 14.268 -2.782) 17.925 6.278 ( -6.403 -4.630 -1.063) 7.973 6.395 ( 1.034 -2.797 -3.508) 4.604 8.043 ( -4.812 -11.102 4.223) 12.816 8.168 ( -1.745 -1.675 -3.490) 4.246 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 0.430 -0.347 5.404) 5.432 1.008 ( -1.014 3.007 3.314) 4.589 1.434 ( -1.416 -0.998 1.003) 2.002 1.603 ( 5.476 11.108 1.898) 12.529 2.190 ( 1.695 6.208 -0.937) 6.504 2.481 ( 13.688 10.892 -0.588) 17.503 5.490 ( 0.141 4.578 2.724) 5.329 6.070 ( -5.025 -2.185 2.887) 6.193 6.159 ( 7.099 6.612 -5.131) 10.975 6.370 ( 0.688 -2.390 -3.908) 4.633 7.785 ( -10.586 -13.635 1.461) 17.324 8.140 ( -0.657 -0.700 -1.583) 1.852 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 3.128 3.224 4.396) 6.285 1.048 ( 0.112 4.021 3.089) 5.071 1.365 ( -3.752 -3.458 0.585) 5.136 1.832 ( 7.586 11.249 2.143) 13.736 2.290 ( 2.894 6.174 0.319) 6.826 2.894 ( 18.631 14.868 -0.975) 23.856 5.550 ( 0.178 4.951 2.818) 5.699 5.890 ( -9.388 -3.655 5.734) 11.591 6.348 ( 3.722 -0.620 -5.003) 6.267 6.388 ( 6.825 5.224 -3.618) 9.326 7.458 ( -12.735 -12.497 -0.668) 17.855 8.114 ( -0.287 -2.331 0.201) 2.357 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 2.924 4.824 1.768) 5.911 1.112 ( 2.414 5.380 6.126) 8.503 1.266 ( -3.338 -3.129 -0.189) 4.579 2.074 ( 7.739 9.787 1.035) 12.520 2.380 ( 0.356 5.134 0.114) 5.147 3.352 ( 18.568 13.368 0.169) 22.880 5.598 ( -0.252 2.783 3.095) 4.170 5.762 ( -6.696 2.207 8.810) 11.284 6.379 ( 3.745 -1.000 -3.014) 4.910 6.528 ( 4.357 3.533 -4.734) 7.340 7.129 ( -12.085 -9.767 -2.191) 15.692 8.097 ( 1.461 -3.424 2.175) 4.312 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.000 2.475 8.625) 8.973 1.012 ( -0.000 1.140 -0.808) 1.397 1.447 ( 0.000 3.832 0.140) 3.835 1.497 ( -0.000 10.283 -2.895) 10.683 2.158 ( 0.000 13.621 9.929) 16.855 2.284 ( -0.000 -2.059 -8.915) 9.150 5.488 ( -0.000 3.041 -0.859) 3.160 5.904 ( 0.000 16.583 -0.166) 16.584 6.283 ( -0.000 -6.828 -6.400) 9.358 6.340 ( 0.000 -2.291 1.443) 2.707 7.966 ( 0.000 -15.615 4.293) 16.194 8.162 ( -0.000 -0.231 -3.020) 3.029 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -2.179 2.042 1.710) 3.441 1.033 ( 1.083 2.063 -0.391) 2.363 1.449 ( -1.389 -1.074 -0.438) 1.809 1.636 ( 4.320 11.441 -1.498) 12.320 2.228 ( 0.931 4.012 -4.297) 5.952 2.435 ( 6.725 17.711 3.858) 19.334 5.526 ( 1.326 3.779 -0.977) 4.122 6.096 ( 3.628 10.750 1.476) 11.442 6.157 ( -2.862 -4.874 -5.573) 7.937 6.326 ( 0.015 -2.107 0.012) 2.107 7.772 ( -4.984 -17.091 2.894) 18.037 8.145 ( -1.009 -0.214 -2.087) 2.328 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 1.474 5.060 -0.591) 5.303 1.078 ( 1.190 2.993 0.486) 3.257 1.385 ( -2.777 -4.123 -0.029) 4.971 1.839 ( 6.128 11.846 0.069) 13.338 2.315 ( 3.147 6.910 -0.383) 7.602 2.790 ( 12.209 19.813 0.210) 23.273 5.595 ( 1.606 4.484 0.236) 4.769 5.998 ( -5.317 -4.512 0.517) 6.992 6.276 ( 2.416 1.490 -2.348) 3.684 6.337 ( 4.184 5.480 -0.549) 6.917 7.499 ( -8.484 -15.874 0.880) 18.021 8.105 ( -1.740 -2.199 -0.905) 2.947 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 4.524 8.540 1.189) 9.738 1.133 ( 1.857 3.499 1.591) 4.269 1.288 ( -3.358 -4.467 0.347) 5.599 2.059 ( 6.390 10.548 0.382) 12.339 2.438 ( 1.922 8.142 0.951) 8.420 3.207 ( 15.092 17.171 -0.378) 22.864 5.643 ( -0.411 2.171 1.697) 2.786 5.915 ( -4.071 3.017 5.164) 7.235 6.286 ( 2.855 -2.015 -3.345) 4.838 6.490 ( 4.663 6.441 -1.684) 8.128 7.199 ( -9.778 -12.964 -1.158) 16.279 8.048 ( -0.598 -4.669 0.882) 4.789 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -0.000 3.034 -1.761) 3.508 1.024 ( -0.000 1.505 -2.737) 3.123 1.439 ( -0.000 -3.584 -2.089) 4.149 1.696 ( -0.000 11.886 -3.368) 12.354 2.230 ( -0.000 4.210 -4.703) 6.312 2.605 ( 0.000 22.938 4.556) 23.387 5.531 ( -0.000 2.700 -3.549) 4.460 6.073 ( -0.000 -9.458 -8.503) 12.718 6.200 ( 0.000 12.731 2.545) 12.983 6.330 ( 0.000 -0.190 3.597) 3.602 7.648 ( 0.000 -18.397 3.249) 18.682 8.150 ( -0.000 0.068 -2.086) 2.087 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -0.633 4.962 -4.665) 6.839 1.072 ( 2.461 2.535 -2.119) 4.120 1.375 ( -1.508 -5.130 -1.452) 5.540 1.852 ( 5.097 11.942 -2.239) 13.176 2.301 ( 3.879 5.283 -2.062) 6.870 2.881 ( 3.969 24.188 1.877) 24.583 5.577 ( 3.358 2.721 -3.072) 5.303 5.954 ( 0.303 -8.419 -8.251) 11.792 6.307 ( -2.040 3.491 3.758) 5.520 6.359 ( 1.825 7.397 2.979) 8.181 7.444 ( -3.948 -17.723 2.400) 18.316 8.123 ( -2.233 -0.821 -1.796) 2.981 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -0.000 5.452 -8.732) 10.294 1.045 ( -0.000 2.238 -2.043) 3.030 1.329 ( -0.000 -5.614 -1.236) 5.749 1.916 ( -0.000 12.428 -2.543) 12.686 2.309 ( -0.000 4.382 -0.615) 4.425 3.097 ( 0.000 24.801 0.876) 24.817 5.556 ( -0.000 2.377 -3.634) 4.343 5.830 ( -0.000 -8.927 -10.238) 13.584 6.372 ( 0.000 2.074 3.206) 3.818 6.433 ( 0.000 8.485 5.407) 10.062 7.309 ( 0.000 -17.775 2.553) 17.958 8.136 ( -0.000 -0.024 -2.190) 2.190 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 0.000 -0.000 8.883) 8.883 0.920 ( 0.000 -0.000 8.883) 8.883 1.271 ( -0.000 0.000 -2.908) 2.908 1.271 ( -0.000 0.000 -2.908) 2.908 1.844 ( 0.000 -0.000 29.965) 29.965 2.565 ( -0.000 0.000 -22.447) 22.447 5.406 ( 0.000 -0.000 2.816) 2.816 5.406 ( 0.000 -0.000 2.816) 2.816 6.422 ( -0.000 0.000 -2.042) 2.042 6.422 ( -0.000 0.000 -2.042) 2.042 8.115 ( 0.000 -0.000 0.652) 0.652 8.364 ( -0.000 0.000 -0.439) 0.439 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -0.850 -0.491 10.017) 10.065 0.992 ( 1.465 0.846 4.385) 4.700 1.309 ( 4.138 2.389 -0.884) 4.859 1.336 ( 5.147 2.971 -1.297) 6.083 1.966 ( 3.324 1.919 21.683) 22.020 2.413 ( -5.627 -3.249 -17.722) 18.876 5.413 ( 0.495 0.286 3.136) 3.187 5.597 ( 13.927 8.041 -1.212) 16.127 6.352 ( -4.990 -2.881 -0.299) 5.769 6.418 ( -0.469 -0.271 -2.900) 2.950 8.121 ( 0.151 0.087 1.052) 1.066 8.265 ( -8.083 -4.667 -0.793) 9.368 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 1.189 0.686 7.523) 7.647 0.998 ( -1.855 -1.071 2.503) 3.294 1.433 ( 2.089 1.206 1.409) 2.794 1.448 ( 7.914 4.569 1.987) 9.351 2.104 ( 4.142 2.391 5.618) 7.378 2.344 ( 6.001 3.464 -6.410) 9.439 5.445 ( 1.474 0.851 3.458) 3.854 5.933 ( 15.069 8.700 -3.135) 17.680 6.203 ( -8.057 -4.652 1.871) 9.490 6.390 ( -0.962 -0.555 -3.622) 3.788 8.002 ( -13.288 -7.672 1.015) 15.377 8.141 ( 0.019 0.011 -1.371) 1.371 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -0.458 -0.264 4.968) 4.996 0.992 ( 1.914 1.105 4.231) 4.774 1.421 ( -3.147 -1.817 1.660) 3.995 1.666 ( 10.359 5.981 3.223) 12.389 2.202 ( 4.705 2.717 1.356) 5.600 2.638 ( 18.719 10.807 -2.518) 21.761 5.497 ( 2.053 1.185 3.784) 4.465 6.004 ( -9.356 -5.402 6.374) 12.543 6.235 ( 11.555 6.671 -4.815) 14.185 6.364 ( -0.063 -0.037 -3.867) 3.868 7.669 ( -15.671 -9.048 -1.323) 18.144 8.138 ( -0.293 -0.169 0.478) 0.586 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 0.000 -0.470 9.838) 9.849 0.992 ( 0.000 0.930 0.598) 1.106 1.322 ( -0.000 6.429 -2.345) 6.844 1.328 ( -0.000 6.597 -0.788) 6.644 2.042 ( 0.000 3.257 22.552) 22.786 2.348 ( -0.000 -6.409 -19.376) 20.408 5.440 ( 0.000 1.699 0.342) 1.733 5.578 ( 0.000 14.853 0.879) 14.879 6.378 ( -0.000 -3.975 -2.991) 4.974 6.386 ( 0.000 -1.896 0.336) 1.926 8.122 ( 0.000 -0.012 1.018) 1.018 8.262 ( -0.000 -9.519 -0.555) 9.535 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -0.961 -0.637 7.093) 7.186 1.003 ( 0.655 0.318 -1.745) 1.891 1.414 ( 2.194 4.456 0.033) 4.967 1.431 ( 4.220 8.806 -0.247) 9.768 2.139 ( -0.253 4.697 10.730) 11.716 2.262 ( 3.098 0.317 -10.316) 10.776 5.462 ( 0.445 2.620 0.836) 2.786 5.821 ( 9.220 14.602 -0.881) 17.291 6.273 ( -4.901 -5.625 -0.129) 7.462 6.372 ( -0.057 -2.345 -1.485) 2.777 8.075 ( -6.209 -12.240 2.538) 13.958 8.140 ( -0.745 -0.304 -2.304) 2.440 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.544 -2.240 2.264) 3.231 1.026 ( 0.530 2.548 1.016) 2.793 1.442 ( -1.000 -1.429 0.913) 1.968 1.621 ( 6.512 10.422 1.902) 12.436 2.197 ( 1.713 4.768 2.359) 5.588 2.466 ( 13.364 12.592 -2.715) 18.562 5.512 ( 1.147 3.764 2.066) 4.445 6.103 ( 2.450 3.657 3.389) 5.556 6.123 ( 0.499 0.709 -1.842) 2.035 6.340 ( 0.013 -2.058 -2.667) 3.369 7.789 ( -11.572 -13.374 -0.783) 17.703 8.134 ( -0.071 -0.785 0.270) 0.833 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.000 -0.475 4.845) 4.869 0.990 ( -0.000 0.769 -4.097) 4.169 1.443 ( -0.000 3.290 -0.809) 3.388 1.471 ( -0.000 9.907 -2.861) 10.312 2.168 ( -0.000 -0.273 -7.424) 7.429 2.278 ( 0.000 11.187 7.400) 13.413 5.472 ( -0.000 2.192 -2.429) 3.272 5.911 ( 0.000 17.118 1.635) 17.196 6.233 ( -0.000 -8.421 -4.521) 9.557 6.360 ( 0.000 -1.582 2.844) 3.254 7.996 ( 0.000 -15.956 2.205) 16.107 8.141 ( -0.000 0.351 -1.332) 1.378 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 0.000 -0.000 3.448) 3.448 0.977 ( 0.000 -0.000 3.448) 3.448 1.250 ( -0.000 0.000 -1.436) 1.436 1.250 ( -0.000 0.000 -1.436) 1.436 2.105 ( 0.000 -0.000 27.486) 27.486 2.350 ( -0.000 0.000 -24.978) 24.978 5.423 ( 0.000 -0.000 1.023) 1.023 5.423 ( 0.000 -0.000 1.023) 1.023 6.409 ( -0.000 0.000 -0.748) 0.748 6.409 ( -0.000 0.000 -0.748) 0.748 8.119 ( 0.000 -0.000 0.235) 0.235 8.361 ( -0.000 0.000 -0.160) 0.160 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 5.20e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -0.390 -0.225 4.943) 4.964 0.999 ( 0.677 0.391 -3.056) 3.154 1.308 ( 5.094 2.941 0.679) 5.921 1.327 ( 5.955 3.438 -0.544) 6.898 2.162 ( -1.518 -0.876 21.066) 21.139 2.239 ( -1.702 -0.983 -20.290) 20.385 5.435 ( 0.894 0.516 1.583) 1.890 5.587 ( 12.806 7.394 -1.080) 14.827 6.357 ( -4.295 -2.480 1.486) 5.177 6.396 ( -1.000 -0.577 -1.828) 2.162 8.126 ( 0.535 0.309 0.045) 0.619 8.260 ( -8.569 -4.947 -0.161) 9.896 =================== 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 10.0 155.680 155.680 218.467 -0.000 0.000 0.000 3/40500 20.0 42.216 42.216 49.223 -0.000 0.000 0.000 3/40500 30.0 24.596 24.596 24.548 -0.000 0.000 0.000 3/40500 40.0 18.361 18.361 16.104 -0.000 0.000 0.000 3/40500 50.0 14.793 14.793 11.913 -0.000 0.000 0.000 3/40500 60.0 12.327 12.327 9.422 -0.000 0.000 0.000 3/40500 70.0 10.514 10.514 7.786 -0.000 0.000 0.000 3/40500 80.0 9.139 9.139 6.638 -0.000 0.000 0.000 3/40500 90.0 8.070 8.070 5.790 -0.000 0.000 0.000 3/40500 100.0 7.221 7.221 5.140 -0.000 0.000 0.000 3/40500 110.0 6.533 6.533 4.626 -0.000 0.000 0.000 3/40500 120.0 5.964 5.964 4.208 -0.000 0.000 0.000 3/40500 130.0 5.487 5.487 3.862 -0.000 0.000 0.000 3/40500 140.0 5.081 5.081 3.570 -0.000 0.000 0.000 3/40500 150.0 4.732 4.732 3.320 -0.000 0.000 0.000 3/40500 160.0 4.428 4.428 3.104 -0.000 0.000 0.000 3/40500 170.0 4.161 4.161 2.915 -0.000 0.000 0.000 3/40500 180.0 3.925 3.925 2.748 -0.000 0.000 0.000 3/40500 190.0 3.715 3.715 2.600 -0.000 0.000 0.000 3/40500 200.0 3.526 3.526 2.467 -0.000 0.000 0.000 3/40500 210.0 3.356 3.356 2.348 -0.000 0.000 0.000 3/40500 220.0 3.201 3.201 2.239 -0.000 0.000 0.000 3/40500 230.0 3.060 3.060 2.140 -0.000 0.000 0.000 3/40500 240.0 2.931 2.931 2.050 -0.000 0.000 0.000 3/40500 250.0 2.813 2.813 1.967 -0.000 0.000 0.000 3/40500 260.0 2.704 2.704 1.891 -0.000 0.000 0.000 3/40500 270.0 2.603 2.603 1.820 -0.000 0.000 0.000 3/40500 280.0 2.509 2.509 1.755 -0.000 0.000 0.000 3/40500 290.0 2.422 2.422 1.694 -0.000 0.000 0.000 3/40500 300.0 2.341 2.341 1.637 -0.000 0.000 0.000 3/40500 310.0 2.265 2.265 1.584 -0.000 0.000 0.000 3/40500 320.0 2.194 2.194 1.534 -0.000 0.000 0.000 3/40500 330.0 2.127 2.127 1.488 -0.000 0.000 0.000 3/40500 340.0 2.065 2.065 1.444 -0.000 0.000 0.000 3/40500 350.0 2.005 2.005 1.403 -0.000 0.000 0.000 3/40500 360.0 1.949 1.949 1.363 -0.000 0.000 0.000 3/40500 370.0 1.897 1.897 1.327 -0.000 0.000 0.000 3/40500 380.0 1.847 1.847 1.292 -0.000 0.000 0.000 3/40500 390.0 1.799 1.799 1.258 -0.000 0.000 0.000 3/40500 400.0 1.754 1.754 1.227 -0.000 0.000 0.000 3/40500 410.0 1.711 1.711 1.197 -0.000 0.000 0.000 3/40500 420.0 1.670 1.670 1.169 -0.000 0.000 0.000 3/40500 430.0 1.632 1.632 1.141 -0.000 0.000 0.000 3/40500 440.0 1.594 1.594 1.115 -0.000 0.000 0.000 3/40500 450.0 1.559 1.559 1.091 -0.000 0.000 0.000 3/40500 460.0 1.525 1.525 1.067 -0.000 0.000 0.000 3/40500 470.0 1.493 1.493 1.044 -0.000 0.000 0.000 3/40500 480.0 1.461 1.461 1.023 -0.000 0.000 0.000 3/40500 490.0 1.432 1.432 1.002 -0.000 0.000 0.000 3/40500 500.0 1.403 1.403 0.982 -0.000 0.000 0.000 3/40500 510.0 1.375 1.375 0.962 -0.000 0.000 0.000 3/40500 520.0 1.349 1.349 0.944 -0.000 0.000 0.000 3/40500 530.0 1.324 1.324 0.926 -0.000 0.000 0.000 3/40500 540.0 1.299 1.299 0.909 -0.000 0.000 0.000 3/40500 550.0 1.275 1.275 0.893 -0.000 0.000 0.000 3/40500 560.0 1.253 1.253 0.877 -0.000 0.000 0.000 3/40500 570.0 1.231 1.231 0.861 -0.000 0.000 0.000 3/40500 580.0 1.209 1.209 0.846 -0.000 0.000 0.000 3/40500 590.0 1.189 1.189 0.832 -0.000 0.000 0.000 3/40500 600.0 1.169 1.169 0.818 -0.000 0.000 0.000 3/40500 610.0 1.150 1.150 0.805 -0.000 0.000 0.000 3/40500 620.0 1.131 1.131 0.792 -0.000 0.000 0.000 3/40500 630.0 1.113 1.113 0.779 -0.000 0.000 0.000 3/40500 640.0 1.096 1.096 0.767 -0.000 0.000 0.000 3/40500 650.0 1.079 1.079 0.755 -0.000 0.000 0.000 3/40500 660.0 1.063 1.063 0.744 -0.000 0.000 0.000 3/40500 670.0 1.047 1.047 0.733 -0.000 0.000 0.000 3/40500 680.0 1.032 1.032 0.722 -0.000 0.000 0.000 3/40500 690.0 1.017 1.017 0.712 -0.000 0.000 0.000 3/40500 700.0 1.002 1.002 0.702 -0.000 0.000 0.000 3/40500 710.0 0.988 0.988 0.692 -0.000 0.000 0.000 3/40500 720.0 0.974 0.974 0.682 -0.000 0.000 0.000 3/40500 730.0 0.961 0.961 0.673 -0.000 0.000 0.000 3/40500 740.0 0.948 0.948 0.664 -0.000 0.000 0.000 3/40500 750.0 0.935 0.935 0.655 -0.000 0.000 0.000 3/40500 760.0 0.923 0.923 0.646 -0.000 0.000 0.000 3/40500 770.0 0.911 0.911 0.638 -0.000 0.000 0.000 3/40500 780.0 0.899 0.899 0.630 -0.000 0.000 0.000 3/40500 790.0 0.888 0.888 0.622 -0.000 0.000 0.000 3/40500 800.0 0.877 0.877 0.614 -0.000 0.000 0.000 3/40500 810.0 0.866 0.866 0.606 -0.000 0.000 0.000 3/40500 820.0 0.856 0.856 0.599 -0.000 0.000 0.000 3/40500 830.0 0.845 0.845 0.592 -0.000 0.000 0.000 3/40500 840.0 0.835 0.835 0.585 -0.000 0.000 0.000 3/40500 850.0 0.825 0.825 0.578 -0.000 0.000 0.000 3/40500 860.0 0.816 0.816 0.571 -0.000 0.000 0.000 3/40500 870.0 0.807 0.807 0.565 -0.000 0.000 0.000 3/40500 880.0 0.797 0.797 0.558 -0.000 0.000 0.000 3/40500 890.0 0.788 0.788 0.552 -0.000 0.000 0.000 3/40500 900.0 0.780 0.780 0.546 -0.000 0.000 0.000 3/40500 910.0 0.771 0.771 0.540 -0.000 0.000 0.000 3/40500 920.0 0.763 0.763 0.534 -0.000 0.000 0.000 3/40500 930.0 0.755 0.755 0.528 -0.000 0.000 0.000 3/40500 940.0 0.746 0.746 0.523 -0.000 0.000 0.000 3/40500 950.0 0.739 0.739 0.517 -0.000 0.000 0.000 3/40500 960.0 0.731 0.731 0.512 -0.000 0.000 0.000 3/40500 970.0 0.723 0.723 0.507 -0.000 0.000 0.000 3/40500 980.0 0.716 0.716 0.501 -0.000 0.000 0.000 3/40500 990.0 0.709 0.709 0.496 -0.000 0.000 0.000 3/40500 1000.0 0.702 0.702 0.491 -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 09:05:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|