----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:46:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.048365783919101 1.182624536744510 7.869626499999992 b -2.048365783919098 1.182624536744510 7.869626499999992 c 0.000000000000003 -2.365249073489024 7.869626499999992 Atomic positions (fractional): *1 Se 0.23085546233942 0.23085546233942 0.23085546233942 78.960 2 Se 0.76914453766058 0.76914453766058 0.76914453766058 78.960 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.096731567838200 0.000000000000000 0.000000000000000 b -2.048365783919101 3.547873610233534 0.000000000000000 c 0.000000000000000 0.000000000000000 23.608879500000000 Atomic positions (fractional): *1 Se 0.33333333333333 0.66666666666667 0.89752212900609 78.960 > 1 2 Se 0.00000000000000 0.00000000000000 0.76914453766058 78.960 > 2 3 Se 0.00000000000000 0.00000000000000 0.23085546233942 78.960 > 1 4 Se 0.66666666666667 0.33333333333333 0.10247787099391 78.960 > 2 5 Se 0.66666666666667 0.33333333333333 0.56418879567275 78.960 > 1 6 Se 0.33333333333333 0.66666666666667 0.43581120432725 78.960 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 3 *10 Lu 0.66666666666667 0.33333333333333 0.83333333333333 174.967 > 4 11 Lu 0.33333333333333 0.66666666666667 0.16666666666667 174.967 > 4 12 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.290194703514599 0.000000000000000 0.000000000000000 b -6.145097351757304 10.643620830700602 0.000000000000000 c 0.000000000000000 0.000000000000000 23.608879500000000 Atomic positions (fractional): *1 Se 0.11111111111111 0.22222222222222 0.89752212900609 78.960 > 1 2 Se 0.44444444444444 0.22222222222222 0.89752212900609 78.960 > 1 3 Se 0.77777777777778 0.22222222222222 0.89752212900609 78.960 > 1 4 Se 0.11111111111111 0.55555555555556 0.89752212900609 78.960 > 1 5 Se 0.44444444444444 0.55555555555556 0.89752212900609 78.960 > 1 6 Se 0.77777777777778 0.55555555555556 0.89752212900609 78.960 > 1 7 Se 0.11111111111111 0.88888888888889 0.89752212900609 78.960 > 1 8 Se 0.44444444444444 0.88888888888889 0.89752212900609 78.960 > 1 9 Se 0.77777777777778 0.88888888888889 0.89752212900609 78.960 > 1 10 Se 0.00000000000000 0.00000000000000 0.76914453766058 78.960 > 2 11 Se 0.33333333333333 0.00000000000000 0.76914453766058 78.960 > 2 12 Se 0.66666666666667 0.00000000000000 0.76914453766058 78.960 > 2 13 Se 0.00000000000000 0.33333333333333 0.76914453766058 78.960 > 2 14 Se 0.33333333333333 0.33333333333333 0.76914453766058 78.960 > 2 15 Se 0.66666666666667 0.33333333333333 0.76914453766058 78.960 > 2 16 Se 0.00000000000000 0.66666666666667 0.76914453766058 78.960 > 2 17 Se 0.33333333333333 0.66666666666667 0.76914453766058 78.960 > 2 18 Se 0.66666666666667 0.66666666666667 0.76914453766058 78.960 > 2 19 Se 0.00000000000000 0.00000000000000 0.23085546233942 78.960 > 1 20 Se 0.33333333333333 0.00000000000000 0.23085546233942 78.960 > 1 21 Se 0.66666666666667 0.00000000000000 0.23085546233942 78.960 > 1 22 Se 0.00000000000000 0.33333333333333 0.23085546233942 78.960 > 1 23 Se 0.33333333333333 0.33333333333333 0.23085546233942 78.960 > 1 24 Se 0.66666666666667 0.33333333333333 0.23085546233942 78.960 > 1 25 Se 0.00000000000000 0.66666666666667 0.23085546233942 78.960 > 1 26 Se 0.33333333333333 0.66666666666667 0.23085546233942 78.960 > 1 27 Se 0.66666666666667 0.66666666666667 0.23085546233942 78.960 > 1 28 Se 0.22222222222222 0.11111111111111 0.10247787099391 78.960 > 2 29 Se 0.55555555555556 0.11111111111111 0.10247787099391 78.960 > 2 30 Se 0.88888888888889 0.11111111111111 0.10247787099391 78.960 > 2 31 Se 0.22222222222222 0.44444444444444 0.10247787099391 78.960 > 2 32 Se 0.55555555555556 0.44444444444444 0.10247787099391 78.960 > 2 33 Se 0.88888888888889 0.44444444444444 0.10247787099391 78.960 > 2 34 Se 0.22222222222222 0.77777777777778 0.10247787099391 78.960 > 2 35 Se 0.55555555555556 0.77777777777778 0.10247787099391 78.960 > 2 36 Se 0.88888888888889 0.77777777777778 0.10247787099391 78.960 > 2 37 Se 0.22222222222222 0.11111111111111 0.56418879567275 78.960 > 1 38 Se 0.55555555555556 0.11111111111111 0.56418879567275 78.960 > 1 39 Se 0.88888888888889 0.11111111111111 0.56418879567275 78.960 > 1 40 Se 0.22222222222222 0.44444444444444 0.56418879567275 78.960 > 1 41 Se 0.55555555555556 0.44444444444444 0.56418879567275 78.960 > 1 42 Se 0.88888888888889 0.44444444444444 0.56418879567275 78.960 > 1 43 Se 0.22222222222222 0.77777777777778 0.56418879567275 78.960 > 1 44 Se 0.55555555555556 0.77777777777778 0.56418879567275 78.960 > 1 45 Se 0.88888888888889 0.77777777777778 0.56418879567275 78.960 > 1 46 Se 0.11111111111111 0.22222222222222 0.43581120432725 78.960 > 2 47 Se 0.44444444444444 0.22222222222222 0.43581120432725 78.960 > 2 48 Se 0.77777777777778 0.22222222222222 0.43581120432725 78.960 > 2 49 Se 0.11111111111111 0.55555555555556 0.43581120432725 78.960 > 2 50 Se 0.44444444444444 0.55555555555556 0.43581120432725 78.960 > 2 51 Se 0.77777777777778 0.55555555555556 0.43581120432725 78.960 > 2 52 Se 0.11111111111111 0.88888888888889 0.43581120432725 78.960 > 2 53 Se 0.44444444444444 0.88888888888889 0.43581120432725 78.960 > 2 54 Se 0.77777777777778 0.88888888888889 0.43581120432725 78.960 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 3 *82 Lu 0.22222222222222 0.11111111111111 0.83333333333333 174.967 > 4 83 Lu 0.55555555555556 0.11111111111111 0.83333333333333 174.967 > 4 84 Lu 0.88888888888889 0.11111111111111 0.83333333333333 174.967 > 4 85 Lu 0.22222222222222 0.44444444444444 0.83333333333333 174.967 > 4 86 Lu 0.55555555555556 0.44444444444444 0.83333333333333 174.967 > 4 87 Lu 0.88888888888889 0.44444444444444 0.83333333333333 174.967 > 4 88 Lu 0.22222222222222 0.77777777777778 0.83333333333333 174.967 > 4 89 Lu 0.55555555555556 0.77777777777778 0.83333333333333 174.967 > 4 90 Lu 0.88888888888889 0.77777777777778 0.83333333333333 174.967 > 4 91 Lu 0.11111111111111 0.22222222222222 0.16666666666667 174.967 > 4 92 Lu 0.44444444444444 0.22222222222222 0.16666666666667 174.967 > 4 93 Lu 0.77777777777778 0.22222222222222 0.16666666666667 174.967 > 4 94 Lu 0.11111111111111 0.55555555555556 0.16666666666667 174.967 > 4 95 Lu 0.44444444444444 0.55555555555556 0.16666666666667 174.967 > 4 96 Lu 0.77777777777778 0.55555555555556 0.16666666666667 174.967 > 4 97 Lu 0.11111111111111 0.88888888888889 0.16666666666667 174.967 > 4 98 Lu 0.44444444444444 0.88888888888889 0.16666666666667 174.967 > 4 99 Lu 0.77777777777778 0.88888888888889 0.16666666666667 174.967 > 4 100 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 4 101 Lu 0.33333333333333 0.00000000000000 0.50000000000000 174.967 > 4 102 Lu 0.66666666666667 0.00000000000000 0.50000000000000 174.967 > 4 103 Lu 0.00000000000000 0.33333333333333 0.50000000000000 174.967 > 4 104 Lu 0.33333333333333 0.33333333333333 0.50000000000000 174.967 > 4 105 Lu 0.66666666666667 0.33333333333333 0.50000000000000 174.967 > 4 106 Lu 0.00000000000000 0.66666666666667 0.50000000000000 174.967 > 4 107 Lu 0.33333333333333 0.66666666666667 0.50000000000000 174.967 > 4 108 Lu 0.66666666666667 0.66666666666667 0.50000000000000 174.967 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4377614 -0.0000000 0.0000000 0.0000000 6.4377614 0.0000000 0.0000000 0.0000000 4.7883217 -------------------------- Born effective charges -------------------------- 1 Se -2.7354917 0.0000000 0.0000000 0.0000000 -2.7354917 0.0000000 0.0000000 0.0000000 -1.8319105 2 Se -2.7354917 0.0000000 0.0000000 0.0000000 -2.7354917 0.0000000 0.0000000 0.0000000 -1.8319105 3 Rb 1.0510770 -0.0000000 0.0000000 0.0000000 1.0510770 0.0000000 0.0000000 0.0000000 1.9622290 4 Lu 4.4199064 -0.0000000 0.0000000 -0.0000000 4.4199064 0.0000000 0.0000000 0.0000000 1.7015921 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 214 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.126 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.133 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 214 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:46:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:46:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.048365783919101 1.182624536744510 7.869626499999992 b -2.048365783919098 1.182624536744510 7.869626499999992 c 0.000000000000003 -2.365249073489024 7.869626499999992 Atomic positions (fractional): 1 Se 0.23085546233942 0.23085546233942 0.23085546233942 78.960 2 Se 0.76914453766058 0.76914453766058 0.76914453766058 78.960 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.290194703514599 0.000000000000000 0.000000000000000 b -6.145097351757304 10.643620830700602 0.000000000000000 c 0.000000000000000 0.000000000000000 23.608879500000000 Atomic positions (fractional): 1 Se 0.11111111111111 0.22222222222222 0.89752212900609 78.960 > 1 2 Se 0.44444444444444 0.22222222222222 0.89752212900609 78.960 > 1 3 Se 0.77777777777778 0.22222222222222 0.89752212900609 78.960 > 1 4 Se 0.11111111111111 0.55555555555556 0.89752212900609 78.960 > 1 5 Se 0.44444444444444 0.55555555555556 0.89752212900609 78.960 > 1 6 Se 0.77777777777778 0.55555555555556 0.89752212900609 78.960 > 1 7 Se 0.11111111111111 0.88888888888889 0.89752212900609 78.960 > 1 8 Se 0.44444444444444 0.88888888888889 0.89752212900609 78.960 > 1 9 Se 0.77777777777778 0.88888888888889 0.89752212900609 78.960 > 1 10 Se 0.00000000000000 0.00000000000000 0.76914453766058 78.960 > 10 11 Se 0.33333333333333 0.00000000000000 0.76914453766058 78.960 > 10 12 Se 0.66666666666667 0.00000000000000 0.76914453766058 78.960 > 10 13 Se 0.00000000000000 0.33333333333333 0.76914453766058 78.960 > 10 14 Se 0.33333333333333 0.33333333333333 0.76914453766058 78.960 > 10 15 Se 0.66666666666667 0.33333333333333 0.76914453766058 78.960 > 10 16 Se 0.00000000000000 0.66666666666667 0.76914453766058 78.960 > 10 17 Se 0.33333333333333 0.66666666666667 0.76914453766058 78.960 > 10 18 Se 0.66666666666667 0.66666666666667 0.76914453766058 78.960 > 10 19 Se 0.00000000000000 0.00000000000000 0.23085546233942 78.960 > 1 20 Se 0.33333333333333 0.00000000000000 0.23085546233942 78.960 > 1 21 Se 0.66666666666667 0.00000000000000 0.23085546233942 78.960 > 1 22 Se 0.00000000000000 0.33333333333333 0.23085546233942 78.960 > 1 23 Se 0.33333333333333 0.33333333333333 0.23085546233942 78.960 > 1 24 Se 0.66666666666667 0.33333333333333 0.23085546233942 78.960 > 1 25 Se 0.00000000000000 0.66666666666667 0.23085546233942 78.960 > 1 26 Se 0.33333333333333 0.66666666666667 0.23085546233942 78.960 > 1 27 Se 0.66666666666667 0.66666666666667 0.23085546233942 78.960 > 1 28 Se 0.22222222222222 0.11111111111111 0.10247787099391 78.960 > 10 29 Se 0.55555555555556 0.11111111111111 0.10247787099391 78.960 > 10 30 Se 0.88888888888889 0.11111111111111 0.10247787099391 78.960 > 10 31 Se 0.22222222222222 0.44444444444444 0.10247787099391 78.960 > 10 32 Se 0.55555555555556 0.44444444444444 0.10247787099391 78.960 > 10 33 Se 0.88888888888889 0.44444444444444 0.10247787099391 78.960 > 10 34 Se 0.22222222222222 0.77777777777778 0.10247787099391 78.960 > 10 35 Se 0.55555555555556 0.77777777777778 0.10247787099391 78.960 > 10 36 Se 0.88888888888889 0.77777777777778 0.10247787099391 78.960 > 10 37 Se 0.22222222222222 0.11111111111111 0.56418879567275 78.960 > 1 38 Se 0.55555555555556 0.11111111111111 0.56418879567275 78.960 > 1 39 Se 0.88888888888889 0.11111111111111 0.56418879567275 78.960 > 1 40 Se 0.22222222222222 0.44444444444444 0.56418879567275 78.960 > 1 41 Se 0.55555555555556 0.44444444444444 0.56418879567275 78.960 > 1 42 Se 0.88888888888889 0.44444444444444 0.56418879567275 78.960 > 1 43 Se 0.22222222222222 0.77777777777778 0.56418879567275 78.960 > 1 44 Se 0.55555555555556 0.77777777777778 0.56418879567275 78.960 > 1 45 Se 0.88888888888889 0.77777777777778 0.56418879567275 78.960 > 1 46 Se 0.11111111111111 0.22222222222222 0.43581120432725 78.960 > 10 47 Se 0.44444444444444 0.22222222222222 0.43581120432725 78.960 > 10 48 Se 0.77777777777778 0.22222222222222 0.43581120432725 78.960 > 10 49 Se 0.11111111111111 0.55555555555556 0.43581120432725 78.960 > 10 50 Se 0.44444444444444 0.55555555555556 0.43581120432725 78.960 > 10 51 Se 0.77777777777778 0.55555555555556 0.43581120432725 78.960 > 10 52 Se 0.11111111111111 0.88888888888889 0.43581120432725 78.960 > 10 53 Se 0.44444444444444 0.88888888888889 0.43581120432725 78.960 > 10 54 Se 0.77777777777778 0.88888888888889 0.43581120432725 78.960 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Lu 0.22222222222222 0.11111111111111 0.83333333333333 174.967 > 82 83 Lu 0.55555555555556 0.11111111111111 0.83333333333333 174.967 > 82 84 Lu 0.88888888888889 0.11111111111111 0.83333333333333 174.967 > 82 85 Lu 0.22222222222222 0.44444444444444 0.83333333333333 174.967 > 82 86 Lu 0.55555555555556 0.44444444444444 0.83333333333333 174.967 > 82 87 Lu 0.88888888888889 0.44444444444444 0.83333333333333 174.967 > 82 88 Lu 0.22222222222222 0.77777777777778 0.83333333333333 174.967 > 82 89 Lu 0.55555555555556 0.77777777777778 0.83333333333333 174.967 > 82 90 Lu 0.88888888888889 0.77777777777778 0.83333333333333 174.967 > 82 91 Lu 0.11111111111111 0.22222222222222 0.16666666666667 174.967 > 82 92 Lu 0.44444444444444 0.22222222222222 0.16666666666667 174.967 > 82 93 Lu 0.77777777777778 0.22222222222222 0.16666666666667 174.967 > 82 94 Lu 0.11111111111111 0.55555555555556 0.16666666666667 174.967 > 82 95 Lu 0.44444444444444 0.55555555555556 0.16666666666667 174.967 > 82 96 Lu 0.77777777777778 0.55555555555556 0.16666666666667 174.967 > 82 97 Lu 0.11111111111111 0.88888888888889 0.16666666666667 174.967 > 82 98 Lu 0.44444444444444 0.88888888888889 0.16666666666667 174.967 > 82 99 Lu 0.77777777777778 0.88888888888889 0.16666666666667 174.967 > 82 100 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 82 101 Lu 0.33333333333333 0.00000000000000 0.50000000000000 174.967 > 82 102 Lu 0.66666666666667 0.00000000000000 0.50000000000000 174.967 > 82 103 Lu 0.00000000000000 0.33333333333333 0.50000000000000 174.967 > 82 104 Lu 0.33333333333333 0.33333333333333 0.50000000000000 174.967 > 82 105 Lu 0.66666666666667 0.33333333333333 0.50000000000000 174.967 > 82 106 Lu 0.00000000000000 0.66666666666667 0.50000000000000 174.967 > 82 107 Lu 0.33333333333333 0.66666666666667 0.50000000000000 174.967 > 82 108 Lu 0.66666666666667 0.66666666666667 0.50000000000000 174.967 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4377614 -0.0000000 0.0000000 0.0000000 6.4377614 0.0000000 0.0000000 0.0000000 4.7883217 -------------------------- Born effective charges -------------------------- 1 Se -2.7354917 0.0000000 0.0000000 0.0000000 -2.7354917 0.0000000 0.0000000 0.0000000 -1.8319105 2 Se -2.7354917 0.0000000 0.0000000 0.0000000 -2.7354917 0.0000000 0.0000000 0.0000000 -1.8319105 3 Rb 1.0510770 -0.0000000 0.0000000 0.0000000 1.0510770 0.0000000 0.0000000 0.0000000 1.9622290 4 Lu 4.4199064 -0.0000000 0.0000000 -0.0000000 4.4199064 0.0000000 0.0000000 0.0000000 1.7015921 ---------------------------------------------------------------------------- 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 (yyz) -0.00000000 (yyz) -0.00000000 (yzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:46:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:46:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.048365783919101 1.182624536744510 7.869626499999992 b -2.048365783919098 1.182624536744510 7.869626499999992 c 0.000000000000003 -2.365249073489024 7.869626499999992 Atomic positions (fractional): 1 Se 0.23085546233942 0.23085546233942 0.23085546233942 78.960 2 Se 0.76914453766058 0.76914453766058 0.76914453766058 78.960 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.290194703514599 0.000000000000000 0.000000000000000 b -6.145097351757304 10.643620830700602 0.000000000000000 c 0.000000000000000 0.000000000000000 23.608879500000000 Atomic positions (fractional): 1 Se 0.11111111111111 0.22222222222222 0.89752212900609 78.960 > 1 2 Se 0.44444444444444 0.22222222222222 0.89752212900609 78.960 > 1 3 Se 0.77777777777778 0.22222222222222 0.89752212900609 78.960 > 1 4 Se 0.11111111111111 0.55555555555556 0.89752212900609 78.960 > 1 5 Se 0.44444444444444 0.55555555555556 0.89752212900609 78.960 > 1 6 Se 0.77777777777778 0.55555555555556 0.89752212900609 78.960 > 1 7 Se 0.11111111111111 0.88888888888889 0.89752212900609 78.960 > 1 8 Se 0.44444444444444 0.88888888888889 0.89752212900609 78.960 > 1 9 Se 0.77777777777778 0.88888888888889 0.89752212900609 78.960 > 1 10 Se 0.00000000000000 0.00000000000000 0.76914453766058 78.960 > 10 11 Se 0.33333333333333 0.00000000000000 0.76914453766058 78.960 > 10 12 Se 0.66666666666667 0.00000000000000 0.76914453766058 78.960 > 10 13 Se 0.00000000000000 0.33333333333333 0.76914453766058 78.960 > 10 14 Se 0.33333333333333 0.33333333333333 0.76914453766058 78.960 > 10 15 Se 0.66666666666667 0.33333333333333 0.76914453766058 78.960 > 10 16 Se 0.00000000000000 0.66666666666667 0.76914453766058 78.960 > 10 17 Se 0.33333333333333 0.66666666666667 0.76914453766058 78.960 > 10 18 Se 0.66666666666667 0.66666666666667 0.76914453766058 78.960 > 10 19 Se 0.00000000000000 0.00000000000000 0.23085546233942 78.960 > 1 20 Se 0.33333333333333 0.00000000000000 0.23085546233942 78.960 > 1 21 Se 0.66666666666667 0.00000000000000 0.23085546233942 78.960 > 1 22 Se 0.00000000000000 0.33333333333333 0.23085546233942 78.960 > 1 23 Se 0.33333333333333 0.33333333333333 0.23085546233942 78.960 > 1 24 Se 0.66666666666667 0.33333333333333 0.23085546233942 78.960 > 1 25 Se 0.00000000000000 0.66666666666667 0.23085546233942 78.960 > 1 26 Se 0.33333333333333 0.66666666666667 0.23085546233942 78.960 > 1 27 Se 0.66666666666667 0.66666666666667 0.23085546233942 78.960 > 1 28 Se 0.22222222222222 0.11111111111111 0.10247787099391 78.960 > 10 29 Se 0.55555555555556 0.11111111111111 0.10247787099391 78.960 > 10 30 Se 0.88888888888889 0.11111111111111 0.10247787099391 78.960 > 10 31 Se 0.22222222222222 0.44444444444444 0.10247787099391 78.960 > 10 32 Se 0.55555555555556 0.44444444444444 0.10247787099391 78.960 > 10 33 Se 0.88888888888889 0.44444444444444 0.10247787099391 78.960 > 10 34 Se 0.22222222222222 0.77777777777778 0.10247787099391 78.960 > 10 35 Se 0.55555555555556 0.77777777777778 0.10247787099391 78.960 > 10 36 Se 0.88888888888889 0.77777777777778 0.10247787099391 78.960 > 10 37 Se 0.22222222222222 0.11111111111111 0.56418879567275 78.960 > 1 38 Se 0.55555555555556 0.11111111111111 0.56418879567275 78.960 > 1 39 Se 0.88888888888889 0.11111111111111 0.56418879567275 78.960 > 1 40 Se 0.22222222222222 0.44444444444444 0.56418879567275 78.960 > 1 41 Se 0.55555555555556 0.44444444444444 0.56418879567275 78.960 > 1 42 Se 0.88888888888889 0.44444444444444 0.56418879567275 78.960 > 1 43 Se 0.22222222222222 0.77777777777778 0.56418879567275 78.960 > 1 44 Se 0.55555555555556 0.77777777777778 0.56418879567275 78.960 > 1 45 Se 0.88888888888889 0.77777777777778 0.56418879567275 78.960 > 1 46 Se 0.11111111111111 0.22222222222222 0.43581120432725 78.960 > 10 47 Se 0.44444444444444 0.22222222222222 0.43581120432725 78.960 > 10 48 Se 0.77777777777778 0.22222222222222 0.43581120432725 78.960 > 10 49 Se 0.11111111111111 0.55555555555556 0.43581120432725 78.960 > 10 50 Se 0.44444444444444 0.55555555555556 0.43581120432725 78.960 > 10 51 Se 0.77777777777778 0.55555555555556 0.43581120432725 78.960 > 10 52 Se 0.11111111111111 0.88888888888889 0.43581120432725 78.960 > 10 53 Se 0.44444444444444 0.88888888888889 0.43581120432725 78.960 > 10 54 Se 0.77777777777778 0.88888888888889 0.43581120432725 78.960 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Lu 0.22222222222222 0.11111111111111 0.83333333333333 174.967 > 82 83 Lu 0.55555555555556 0.11111111111111 0.83333333333333 174.967 > 82 84 Lu 0.88888888888889 0.11111111111111 0.83333333333333 174.967 > 82 85 Lu 0.22222222222222 0.44444444444444 0.83333333333333 174.967 > 82 86 Lu 0.55555555555556 0.44444444444444 0.83333333333333 174.967 > 82 87 Lu 0.88888888888889 0.44444444444444 0.83333333333333 174.967 > 82 88 Lu 0.22222222222222 0.77777777777778 0.83333333333333 174.967 > 82 89 Lu 0.55555555555556 0.77777777777778 0.83333333333333 174.967 > 82 90 Lu 0.88888888888889 0.77777777777778 0.83333333333333 174.967 > 82 91 Lu 0.11111111111111 0.22222222222222 0.16666666666667 174.967 > 82 92 Lu 0.44444444444444 0.22222222222222 0.16666666666667 174.967 > 82 93 Lu 0.77777777777778 0.22222222222222 0.16666666666667 174.967 > 82 94 Lu 0.11111111111111 0.55555555555556 0.16666666666667 174.967 > 82 95 Lu 0.44444444444444 0.55555555555556 0.16666666666667 174.967 > 82 96 Lu 0.77777777777778 0.55555555555556 0.16666666666667 174.967 > 82 97 Lu 0.11111111111111 0.88888888888889 0.16666666666667 174.967 > 82 98 Lu 0.44444444444444 0.88888888888889 0.16666666666667 174.967 > 82 99 Lu 0.77777777777778 0.88888888888889 0.16666666666667 174.967 > 82 100 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 82 101 Lu 0.33333333333333 0.00000000000000 0.50000000000000 174.967 > 82 102 Lu 0.66666666666667 0.00000000000000 0.50000000000000 174.967 > 82 103 Lu 0.00000000000000 0.33333333333333 0.50000000000000 174.967 > 82 104 Lu 0.33333333333333 0.33333333333333 0.50000000000000 174.967 > 82 105 Lu 0.66666666666667 0.33333333333333 0.50000000000000 174.967 > 82 106 Lu 0.00000000000000 0.66666666666667 0.50000000000000 174.967 > 82 107 Lu 0.33333333333333 0.66666666666667 0.50000000000000 174.967 > 82 108 Lu 0.66666666666667 0.66666666666667 0.50000000000000 174.967 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.4377614 -0.0000000 0.0000000 0.0000000 6.4377614 0.0000000 0.0000000 0.0000000 4.7883217 -------------------------- Born effective charges -------------------------- 1 Se -2.7354917 0.0000000 0.0000000 0.0000000 -2.7354917 0.0000000 0.0000000 0.0000000 -1.8319105 2 Se -2.7354917 0.0000000 0.0000000 0.0000000 -2.7354917 0.0000000 0.0000000 0.0000000 -1.8319105 3 Rb 1.0510770 -0.0000000 0.0000000 0.0000000 1.0510770 0.0000000 0.0000000 0.0000000 1.9622290 4 Lu 4.4199064 -0.0000000 0.0000000 -0.0000000 4.4199064 0.0000000 0.0000000 0.0000000 1.7015921 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyz) -0.00000000 (yyz) -0.00000000 (yzy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 14 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.86, Number of G-points: 307, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/288) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.043 ( 0.000 0.000 0.000) 0.000 2.043 ( 0.000 0.000 0.000) 0.000 3.283 ( 0.000 0.000 0.000) 0.000 3.718 ( 0.000 0.000 0.000) 0.000 3.718 ( 0.000 0.000 0.000) 0.000 3.908 ( 0.000 0.000 0.000) 0.000 3.908 ( 0.000 0.000 0.000) 0.000 5.027 ( 0.000 0.000 0.000) 0.000 5.202 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/288) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 15.527 8.965 -5.122) 18.646 0.374 ( 16.829 9.716 -4.970) 20.058 0.751 ( 30.234 17.456 12.225) 36.990 2.047 ( 0.164 0.095 1.135) 1.151 2.079 ( 3.195 1.845 -2.575) 4.499 3.242 ( -3.478 -2.008 0.255) 4.024 3.724 ( 0.511 0.295 0.234) 0.635 3.904 ( -0.251 -0.145 -0.199) 0.351 3.974 ( 5.159 2.979 0.871) 6.020 4.997 ( -2.063 -1.191 -3.197) 3.987 5.134 ( -3.278 -1.892 -5.702) 6.844 5.693 ( -2.879 -1.662 0.145) 3.328 ======================= Grid point 2 (3/288) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 15.898 9.179 -5.233) 19.088 0.751 ( 16.978 9.802 -6.574) 20.677 1.467 ( 28.147 16.251 9.686) 33.914 2.057 ( 0.207 0.119 2.278) 2.290 2.161 ( 4.480 2.587 -4.666) 6.967 3.144 ( -4.663 -2.692 1.218) 5.520 3.744 ( 1.158 0.669 0.247) 1.360 3.898 ( -0.134 -0.077 -0.267) 0.309 4.123 ( 6.654 3.842 1.245) 7.783 4.922 ( -3.278 -1.892 -4.533) 5.905 4.991 ( -8.824 -5.094 6.413) 12.039 5.601 ( -3.997 -2.308 -6.826) 8.240 ======================= Grid point 3 (4/288) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 15.658 9.040 -5.557) 18.915 1.116 ( 16.214 9.361 -8.540) 20.577 2.069 ( 0.070 0.040 3.448) 3.449 2.077 ( 20.015 11.556 -1.062) 23.136 2.269 ( 7.843 4.528 1.304) 9.150 3.048 ( -4.260 -2.460 5.784) 7.593 3.780 ( 1.920 1.109 0.046) 2.218 3.899 ( 0.354 0.205 -0.203) 0.457 4.262 ( 4.549 2.626 0.422) 5.270 4.749 ( -11.286 -6.516 5.014) 13.964 4.854 ( -3.437 -1.984 -0.490) 3.999 5.474 ( -4.658 -2.689 -8.840) 10.348 ======================= Grid point 4 (5/288) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 14.195 8.195 -6.139) 17.503 1.444 ( 14.200 8.198 -10.007) 19.209 2.079 ( -0.273 -0.158 4.665) 4.675 2.258 ( 4.339 2.505 -8.997) 10.298 2.637 ( 14.443 8.339 5.853) 17.675 2.993 ( -2.228 -1.287 11.591) 11.874 3.832 ( 2.507 1.447 -0.151) 2.899 3.913 ( 0.861 0.497 -0.122) 1.001 4.307 ( -1.400 -0.808 -0.836) 1.820 4.518 ( -8.346 -4.818 4.767) 10.751 4.787 ( -1.878 -1.084 -1.852) 2.852 5.341 ( -4.419 -2.551 -7.458) 9.037 ======================= Grid point 5 (6/288) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 11.381 6.571 -6.817) 14.804 1.710 ( 11.181 6.455 -9.421) 15.982 2.082 ( -0.907 -0.524 5.842) 5.935 2.341 ( 4.888 2.822 -4.756) 7.381 2.791 ( -1.772 -1.023 6.557) 6.869 3.056 ( 3.292 1.900 7.679) 8.569 3.891 ( 2.466 1.424 -0.184) 2.853 3.936 ( 1.011 0.584 -0.095) 1.172 4.214 ( -4.396 -2.538 1.496) 5.292 4.408 ( -3.099 -1.789 -0.653) 3.638 4.768 ( 0.971 0.560 -1.858) 2.170 5.226 ( -4.025 -2.324 -4.305) 6.335 ======================= Grid point 6 (7/288) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 7.447 4.300 -6.790) 10.957 1.904 ( 7.277 4.201 -5.814) 10.218 2.069 ( -1.817 -1.049 6.289) 6.630 2.444 ( 4.073 2.352 -2.218) 5.200 2.727 ( -3.850 -2.223 7.458) 8.683 3.084 ( -1.697 -0.980 0.969) 2.186 3.939 ( 1.547 0.893 -0.077) 1.788 3.956 ( 0.677 0.391 -0.094) 0.787 4.161 ( -0.856 -0.494 1.350) 1.673 4.341 ( -2.146 -1.239 -1.726) 3.020 4.825 ( 3.935 2.272 -0.821) 4.618 5.122 ( -4.227 -2.440 -1.774) 5.193 ======================= Grid point 7 (8/288) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -0.000 -0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 2.048 ( 0.000 0.000 -0.000) 0.000 2.486 ( 0.000 0.000 -0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 -0.000) 0.000 3.957 ( 0.000 0.000 0.000) 0.000 3.964 ( 0.000 0.000 -0.000) 0.000 4.157 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 5.048 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 16 (9/288) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 0.000 17.410 12.875) 21.653 0.451 ( 0.000 20.067 8.254) 21.698 0.703 ( 0.000 33.310 4.329) 33.591 2.027 ( -0.000 -0.604 -3.208) 3.265 2.092 ( 0.000 4.496 0.297) 4.505 3.238 ( -0.000 -4.871 -0.424) 4.889 3.719 ( -0.000 0.408 -0.749) 0.853 3.909 ( 0.000 -0.091 0.938) 0.942 3.965 ( -0.000 5.631 -1.194) 5.756 4.968 ( -0.000 -1.306 -13.875) 13.936 5.092 ( -0.000 -0.605 -7.249) 7.274 5.731 ( 0.000 -3.840 6.474) 7.527 ======================= Grid point 17 (10/288) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 1.666 15.814 9.489) 18.518 0.784 ( 5.952 22.481 -2.534) 23.393 1.264 ( 20.655 25.143 9.010) 33.763 2.032 ( 2.364 -0.699 -3.019) 3.898 2.148 ( 0.450 5.414 -0.993) 5.523 3.160 ( -1.952 -5.511 -1.448) 6.023 3.732 ( 0.927 0.579 -0.430) 1.174 3.902 ( -0.539 0.187 0.430) 0.714 4.074 ( 4.641 5.952 0.018) 7.548 4.908 ( -0.216 -3.756 -9.347) 10.075 5.043 ( -2.197 -6.095 3.142) 7.201 5.647 ( -5.646 -2.618 -1.129) 6.325 ======================= Grid point 18 (11/288) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 10.479 12.032 2.812) 16.201 1.101 ( 6.823 20.672 -5.760) 22.518 1.872 ( 18.907 17.542 2.293) 25.893 2.083 ( 3.706 2.871 2.312) 5.227 2.209 ( 2.382 4.179 -1.971) 5.198 3.070 ( -1.598 -5.465 1.521) 5.893 3.759 ( 1.502 0.761 -0.091) 1.686 3.902 ( -0.128 0.747 0.107) 0.765 4.213 ( 4.677 4.037 0.370) 6.189 4.824 ( -2.507 -5.284 -3.442) 6.786 4.914 ( -6.129 -5.626 5.080) 9.748 5.499 ( -5.960 -3.563 -6.685) 9.639 ======================= Grid point 19 (12/288) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 13.069 9.358 -1.528) 16.147 1.396 ( 7.333 17.180 -7.367) 20.080 2.086 ( 2.765 1.832 -1.311) 3.566 2.213 ( 1.350 5.638 -6.243) 8.520 2.493 ( 15.940 11.940 7.970) 21.452 3.015 ( -0.087 -4.523 6.866) 8.222 3.800 ( 2.313 0.791 0.167) 2.450 3.913 ( 0.072 1.346 -0.014) 1.348 4.294 ( 1.654 0.322 -0.877) 1.900 4.666 ( -9.259 -4.215 4.796) 11.247 4.804 ( -2.634 -2.292 -1.274) 3.716 5.342 ( -4.015 -5.139 -7.974) 10.301 ======================= Grid point 20 (13/288) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 12.497 6.854 -4.373) 14.909 1.654 ( 7.003 13.409 -7.359) 16.822 2.128 ( -0.713 2.649 3.130) 4.162 2.283 ( 3.767 4.185 -5.297) 7.731 2.787 ( 4.650 2.951 3.030) 6.286 3.043 ( 3.409 0.280 9.891) 10.466 3.855 ( 2.954 0.647 0.668) 3.097 3.929 ( 0.128 1.434 -0.189) 1.452 4.270 ( -2.394 -1.785 -0.818) 3.097 4.498 ( -8.381 0.112 2.204) 8.667 4.755 ( -0.392 -0.772 -2.063) 2.237 5.217 ( -1.711 -5.719 -5.472) 8.098 ======================= Grid point 21 (14/288) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 10.174 4.286 -5.461) 12.317 1.865 ( 5.654 10.381 -5.721) 13.133 2.135 ( -2.557 2.183 4.612) 5.707 2.393 ( 4.702 4.321 -2.643) 6.911 2.790 ( -3.134 -2.257 4.823) 6.179 3.113 ( -0.382 0.379 4.022) 4.058 3.916 ( 2.699 0.538 1.385) 3.081 3.944 ( 0.223 1.166 -0.713) 1.384 4.218 ( -2.425 1.543 -0.066) 2.875 4.382 ( -5.361 -0.038 -0.755) 5.414 4.772 ( 3.014 0.799 -1.410) 3.422 5.125 ( -1.361 -5.406 -2.534) 6.124 ======================= Grid point 22 (15/288) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 6.060 1.233 -4.358) 7.565 2.016 ( 2.438 7.423 -3.233) 8.456 2.109 ( -3.941 1.172 4.431) 6.044 2.486 ( 1.716 2.722 -1.213) 3.439 2.717 ( -3.128 -1.305 0.912) 3.510 3.086 ( -2.585 0.426 3.148) 4.095 3.950 ( 0.537 -0.672 -0.050) 0.862 3.961 ( 0.626 1.258 0.226) 1.423 4.214 ( -2.263 4.795 -0.340) 5.313 4.311 ( -1.588 -1.181 -0.188) 1.988 4.850 ( 4.304 0.079 -0.252) 4.312 5.044 ( -1.322 -3.978 -0.955) 4.299 ======================= Grid point 23 (16/288) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -1.207 -4.027 1.493) 4.461 2.041 ( -6.141 0.949 2.557) 6.720 2.078 ( -0.975 4.527 -2.211) 5.132 2.496 ( -2.321 0.223 0.787) 2.461 2.680 ( 0.538 1.275 -6.941) 7.078 3.090 ( -0.175 2.429 3.935) 4.627 3.939 ( -0.264 -1.584 -1.724) 2.356 3.970 ( -0.868 0.508 1.312) 1.654 4.213 ( -3.343 4.953 -0.534) 5.999 4.317 ( 2.411 0.556 1.182) 2.742 4.852 ( -1.916 -3.508 0.291) 4.007 5.051 ( 4.793 -0.596 0.569) 4.863 ======================= Grid point 24 (17/288) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -7.864 -7.775 6.360) 12.758 1.912 ( -9.656 -0.718 4.408) 10.639 2.095 ( -1.438 4.622 -3.906) 6.220 2.418 ( -5.044 -1.963 2.735) 6.064 2.725 ( 3.954 2.839 -9.335) 10.528 3.094 ( -3.570 0.148 -0.188) 3.578 3.899 ( -0.936 -2.815 -2.051) 3.607 3.955 ( -1.667 0.538 1.468) 2.286 4.215 ( -0.623 4.014 -0.719) 4.125 4.391 ( 2.613 3.618 1.099) 4.596 4.784 ( -1.726 -2.042 1.179) 2.922 5.148 ( 6.427 -1.250 2.513) 7.013 ======================= Grid point 25 (18/288) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -12.176 -9.442 6.641) 16.779 1.720 ( -13.708 -0.543 6.918) 15.364 2.095 ( -1.998 3.633 -3.977) 5.745 2.333 ( -3.680 -1.571 5.477) 6.783 2.758 ( -3.631 -0.771 -3.477) 5.086 2.950 ( -5.574 -2.859 -10.195) 11.966 3.846 ( -1.219 -2.737 -1.329) 3.278 3.935 ( -1.731 0.691 1.133) 2.181 4.275 ( 3.079 2.041 0.169) 3.697 4.478 ( 2.372 6.237 -2.096) 6.994 4.772 ( 0.980 -0.128 1.634) 1.909 5.265 ( 7.254 -1.196 5.021) 8.903 ======================= Grid point 26 (19/288) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -14.822 -9.807 5.234) 18.528 1.464 ( -18.138 0.840 7.187) 19.528 2.077 ( -1.926 1.814 -2.614) 3.719 2.280 ( -4.643 -0.896 7.646) 8.990 2.426 ( -21.787 -7.778 -6.338) 23.986 2.947 ( 5.946 0.249 -7.999) 9.970 3.796 ( -1.435 -1.779 -0.752) 2.406 3.916 ( -1.433 0.573 0.779) 1.729 4.300 ( -1.586 -1.406 0.272) 2.137 4.624 ( 7.935 7.074 -4.422) 11.513 4.815 ( 2.860 0.625 1.238) 3.179 5.407 ( 7.493 -0.051 6.133) 9.683 ======================= Grid point 27 (20/288) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -16.001 -7.838 3.242) 18.110 1.154 ( -21.154 2.119 5.520) 21.965 1.838 ( -29.934 -7.235 -3.970) 31.050 2.063 ( -1.475 0.596 -2.532) 2.990 2.234 ( -4.128 -1.211 3.078) 5.290 3.052 ( 6.867 0.621 -2.431) 7.311 3.758 ( -1.274 -0.734 -0.406) 1.525 3.904 ( -0.681 0.231 0.464) 0.856 4.209 ( -6.205 -1.650 -0.584) 6.447 4.836 ( 10.494 3.411 -2.217) 11.255 4.884 ( 3.836 0.811 -0.062) 3.921 5.549 ( 6.266 0.695 4.312) 7.638 ======================= Grid point 28 (21/288) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( -15.906 -0.000 0.000) 15.906 0.799 ( -22.437 -0.000 0.000) 22.437 1.220 ( -33.897 -0.000 0.000) 33.897 2.047 ( -0.452 -0.000 0.000) 0.452 2.152 ( -4.910 -0.000 0.000) 4.910 3.167 ( 5.898 0.000 -0.000) 5.898 3.734 ( -0.937 -0.000 0.000) 0.937 3.900 ( 0.077 0.000 -0.000) 0.077 4.074 ( -7.468 -0.000 0.000) 7.468 4.955 ( 3.599 0.000 -0.000) 3.599 5.026 ( 9.208 0.000 -0.000) 9.208 5.652 ( 4.026 0.000 -0.000) 4.026 ======================= Grid point 31 (22/288) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 0.000 17.595 11.501) 21.020 0.907 ( 0.000 20.517 6.888) 21.642 1.387 ( 0.000 31.946 3.759) 32.166 1.983 ( -0.000 -1.065 -5.646) 5.746 2.208 ( 0.000 6.310 -0.292) 6.317 3.101 ( -0.000 -7.429 -2.953) 7.994 3.727 ( -0.000 1.072 -1.311) 1.693 3.917 ( 0.000 0.140 1.555) 1.562 4.096 ( -0.000 7.605 -1.606) 7.773 4.819 ( -0.000 -5.896 -10.815) 12.318 5.007 ( 0.000 -6.545 4.339) 7.852 5.675 ( 0.000 -3.893 0.587) 3.937 ======================= Grid point 32 (23/288) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -4.012 18.625 11.589) 22.300 1.204 ( 4.514 19.701 -0.307) 20.214 1.821 ( 10.591 24.466 1.051) 26.681 2.006 ( 6.242 1.874 -1.839) 6.772 2.257 ( -1.071 5.536 -1.449) 5.822 3.013 ( 0.031 -7.981 -1.403) 8.103 3.745 ( 0.925 1.149 -0.811) 1.683 3.918 ( -0.444 0.937 0.924) 1.389 4.194 ( 2.806 5.836 -0.860) 6.532 4.740 ( 1.821 -7.909 -6.052) 10.124 4.934 ( -2.198 -6.420 3.622) 7.692 5.571 ( -6.514 -4.030 -1.996) 7.916 ======================= Grid point 33 (24/288) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 1.436 16.900 7.948) 18.731 1.452 ( 4.168 16.593 -4.722) 17.748 2.024 ( 5.282 4.276 -6.995) 9.753 2.270 ( -1.588 5.465 -3.261) 6.559 2.384 ( 14.626 16.336 6.876) 22.979 2.951 ( 1.902 -7.191 2.913) 7.989 3.775 ( 1.440 0.832 0.367) 1.703 3.932 ( 0.047 2.053 0.186) 2.062 4.271 ( 1.341 1.611 -0.999) 2.322 4.686 ( 1.423 -6.627 -0.527) 6.799 4.834 ( -3.612 -3.999 1.080) 5.495 5.379 ( -8.433 -4.927 -4.616) 10.803 ======================= Grid point 34 (25/288) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 4.601 13.211 3.233) 14.358 1.665 ( 5.134 13.067 -5.248) 14.988 2.145 ( 3.989 5.513 -2.885) 7.391 2.282 ( -0.371 3.852 -2.154) 4.428 2.726 ( 7.476 5.698 0.363) 9.407 2.986 ( 5.866 -0.343 7.549) 9.566 3.816 ( 2.229 0.401 1.699) 2.831 3.957 ( -0.274 2.951 -0.127) 2.967 4.265 ( -0.686 -2.167 -1.635) 2.800 4.636 ( -3.721 -1.319 2.378) 4.609 4.754 ( -1.796 -1.489 -1.776) 2.932 5.180 ( -4.988 -6.764 -4.972) 9.765 ======================= Grid point 35 (26/288) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 5.778 9.340 -0.049) 10.982 1.865 ( 5.257 11.007 -3.505) 12.691 2.216 ( -1.553 4.191 1.534) 4.726 2.353 ( 4.162 4.474 -1.840) 6.382 2.799 ( 1.364 -1.954 1.255) 2.693 3.116 ( 2.622 2.419 2.865) 4.576 3.873 ( 3.023 0.389 2.826) 4.157 3.975 ( -1.157 3.006 -0.401) 3.246 4.226 ( 0.040 -1.907 -1.833) 2.646 4.536 ( -8.556 2.684 0.547) 8.984 4.735 ( 1.106 -0.091 -1.756) 2.078 5.056 ( 0.041 -7.522 -2.613) 7.963 ======================= Grid point 36 (27/288) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 4.714 6.042 -1.544) 7.817 2.037 ( 3.590 8.821 -1.944) 9.720 2.206 ( -3.713 2.090 3.100) 5.270 2.464 ( 3.766 3.058 -0.856) 4.926 2.776 ( -3.061 0.233 -0.254) 3.080 3.134 ( -1.200 0.430 1.426) 1.913 3.930 ( 1.725 -0.133 2.533) 3.067 3.977 ( -0.961 2.148 -1.060) 2.581 4.228 ( 2.070 -0.454 -1.516) 2.605 4.421 ( -8.084 4.237 0.130) 9.128 4.775 ( 3.519 -0.210 -0.682) 3.590 4.994 ( 0.907 -6.129 -1.011) 6.278 ======================= Grid point 37 (28/288) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 0.639 1.663 -1.358) 2.240 2.141 ( 0.128 5.773 -0.263) 5.781 2.152 ( -5.024 0.888 2.136) 5.531 2.517 ( 0.516 -0.372 -0.175) 0.659 2.714 ( -4.164 3.783 -5.708) 8.015 3.143 ( -0.281 2.431 5.141) 5.694 3.929 ( -0.921 -1.183 -0.946) 1.773 3.990 ( 0.050 1.303 0.666) 1.465 4.267 ( 2.658 -1.869 0.654) 3.315 4.356 ( -5.208 7.709 -0.422) 9.313 4.816 ( 1.977 -3.001 0.120) 3.595 4.966 ( 2.508 -3.471 -0.359) 4.297 ======================= Grid point 38 (29/288) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -5.163 -3.288 1.766) 6.370 2.056 ( -7.160 0.028 0.628) 7.187 2.176 ( -1.676 5.199 0.115) 5.464 2.474 ( -3.013 -2.849 0.183) 4.151 2.699 ( -0.473 4.896 -7.774) 9.199 3.175 ( -2.445 2.942 5.019) 6.310 3.882 ( -1.476 -2.496 -2.413) 3.773 3.998 ( -1.109 1.541 1.095) 2.192 4.257 ( -0.794 -1.555 1.249) 2.146 4.416 ( 0.870 9.058 -0.310) 9.105 4.787 ( -0.874 -2.802 0.538) 2.983 5.011 ( 6.219 -3.907 0.787) 7.386 ======================= Grid point 39 (30/288) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -10.158 -4.970 3.878) 11.955 1.914 ( -8.795 -0.553 1.263) 8.903 2.191 ( -3.210 5.681 -0.400) 6.538 2.383 ( -3.461 -3.112 1.263) 4.823 2.733 ( 2.277 2.445 -6.011) 6.877 3.090 ( -10.868 -0.409 0.269) 10.879 3.826 ( -0.862 -2.602 -1.908) 3.340 3.989 ( -2.185 1.740 0.979) 2.960 4.250 ( 1.230 -0.481 0.585) 1.445 4.522 ( 0.753 8.227 -0.939) 8.315 4.761 ( 0.138 -0.989 0.965) 1.389 5.105 ( 8.870 -4.127 2.387) 10.070 ======================= Grid point 40 (31/288) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -14.614 -3.854 2.686) 15.350 1.742 ( -11.641 -0.113 2.239) 11.855 2.162 ( -5.073 3.450 -0.861) 6.195 2.322 ( -1.277 -1.866 2.169) 3.133 2.747 ( -14.234 0.205 3.106) 14.570 2.836 ( -1.668 -2.158 -8.592) 9.014 3.792 ( -0.481 -1.412 -0.765) 1.676 3.963 ( -2.513 0.960 0.560) 2.748 4.284 ( 2.098 -0.473 0.310) 2.173 4.598 ( 1.514 4.911 -1.805) 5.446 4.777 ( 1.961 -0.135 0.741) 2.101 5.253 ( 10.250 -1.686 2.612) 10.711 ======================= Grid point 41 (32/288) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -16.818 -0.000 0.000) 16.818 1.502 ( -16.580 -0.000 0.000) 16.580 2.101 ( -3.253 -0.000 0.000) 3.253 2.287 ( -4.135 -0.000 0.000) 4.135 2.317 ( -26.137 -0.000 0.000) 26.137 2.922 ( 7.327 0.000 -0.000) 7.327 3.772 ( -0.910 -0.000 0.000) 0.910 3.929 ( -1.883 -0.000 0.000) 1.883 4.281 ( -2.503 -0.000 0.000) 2.503 4.692 ( 7.070 0.000 -0.000) 7.070 4.825 ( 3.259 0.000 -0.000) 3.259 5.422 ( 9.059 0.000 -0.000) 9.059 ======================= Grid point 46 (33/288) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.000 17.036 8.989) 19.262 1.350 ( 0.000 19.576 4.879) 20.175 1.922 ( -0.000 -1.165 -6.360) 6.465 2.024 ( 0.000 29.048 2.589) 29.163 2.314 ( -0.000 4.621 -3.345) 5.704 2.918 ( -0.000 -9.159 -0.417) 9.168 3.749 ( -0.000 1.957 -1.559) 2.502 3.935 ( 0.000 0.653 1.667) 1.791 4.229 ( -0.000 6.180 -1.725) 6.416 4.610 ( -0.000 -9.988 -4.019) 10.766 4.900 ( 0.000 -5.636 2.103) 6.016 5.581 ( -0.000 -5.125 -1.383) 5.308 ======================= Grid point 47 (34/288) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -3.720 18.039 10.452) 21.177 1.550 ( 0.798 14.372 -2.066) 14.542 1.948 ( 5.354 2.452 -5.669) 8.174 2.327 ( -0.812 3.731 -6.755) 7.760 2.388 ( 8.006 21.670 3.301) 23.336 2.847 ( 1.745 -7.798 4.132) 8.996 3.771 ( 0.570 1.949 -0.698) 2.147 3.948 ( 0.195 1.329 1.023) 1.688 4.279 ( 0.014 2.785 -1.581) 3.202 4.540 ( 4.303 -8.878 -1.315) 9.953 4.839 ( -1.601 -4.025 0.440) 4.354 5.461 ( -6.600 -5.514 -2.329) 8.910 ======================= Grid point 48 (35/288) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -3.096 14.273 6.766) 16.096 1.699 ( 3.684 11.512 -2.732) 12.392 2.098 ( 6.843 6.568 -3.586) 10.141 2.323 ( -0.607 2.518 -4.500) 5.192 2.650 ( 5.192 1.972 -2.195) 5.972 2.916 ( 6.623 6.052 7.943) 11.983 3.802 ( 0.941 1.416 1.392) 2.197 3.978 ( 0.946 2.109 0.221) 2.322 4.262 ( -1.673 -1.429 -1.669) 2.762 4.568 ( 6.105 -4.766 -0.057) 7.745 4.775 ( -2.139 -1.783 -0.840) 2.909 5.247 ( -9.716 -5.738 -2.921) 11.656 ======================= Grid point 49 (36/288) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 0.824 10.280 3.283) 10.823 1.885 ( 4.134 11.387 0.126) 12.115 2.257 ( 3.625 6.299 -2.141) 7.576 2.338 ( 0.871 2.464 -0.453) 2.652 2.699 ( 5.653 -4.893 -1.543) 7.634 3.113 ( 3.317 7.230 1.563) 8.107 3.845 ( 1.890 1.050 3.286) 3.934 4.017 ( 0.414 2.643 0.044) 2.676 4.207 ( -1.525 -1.924 -1.991) 3.161 4.621 ( 2.683 -1.398 -0.015) 3.026 4.730 ( -1.619 0.264 -1.592) 2.285 5.023 ( -6.951 -6.333 -2.007) 9.615 ======================= Grid point 50 (37/288) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 1.982 8.660 2.757) 9.302 2.057 ( 3.672 8.803 0.172) 9.540 2.295 ( -2.923 2.515 1.372) 4.093 2.418 ( 3.993 1.876 0.266) 4.420 2.769 ( 5.336 0.064 -1.643) 5.584 3.161 ( -1.856 1.991 -2.857) 3.946 3.904 ( 2.362 0.638 3.271) 4.084 4.030 ( -2.130 2.294 0.097) 3.132 4.176 ( 1.131 -1.750 -1.813) 2.762 4.604 ( -6.007 3.715 -0.363) 7.073 4.722 ( 1.697 -0.667 -1.414) 2.308 4.902 ( 0.646 -6.198 -0.216) 6.235 ======================= Grid point 51 (38/288) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -0.446 5.688 1.322) 5.857 2.181 ( 1.826 5.702 0.200) 5.990 2.248 ( -4.431 0.693 1.946) 4.889 2.476 ( 2.246 -1.767 -0.015) 2.857 2.832 ( -2.613 6.865 -4.276) 8.500 3.147 ( 1.918 -0.050 0.647) 2.025 3.941 ( -0.368 0.190 0.916) 1.005 4.004 ( -1.227 0.525 0.268) 1.361 4.194 ( 2.925 -2.070 -0.170) 3.587 4.534 ( -6.452 6.533 -0.528) 9.197 4.749 ( 2.532 -1.932 -0.276) 3.197 4.882 ( 2.377 -4.539 -0.050) 5.124 ======================= Grid point 52 (39/288) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -4.852 0.932 0.414) 4.958 2.172 ( -5.652 0.449 0.573) 5.699 2.240 ( -0.175 3.950 0.769) 4.028 2.464 ( -0.106 -3.612 -0.830) 3.708 2.798 ( -5.870 6.268 -5.388) 10.138 3.227 ( 2.720 2.448 4.588) 5.869 3.894 ( -3.041 -1.237 -1.621) 3.662 4.019 ( 0.850 0.960 0.927) 1.582 4.216 ( 2.086 -3.135 1.050) 3.909 4.531 ( -2.586 9.195 -0.670) 9.575 4.759 ( 1.105 -2.348 0.335) 2.617 4.882 ( 3.213 -4.946 -0.068) 5.898 ======================= Grid point 53 (40/288) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -7.732 -1.305 0.798) 7.882 2.056 ( -7.801 -0.071 0.043) 7.802 2.277 ( -0.408 4.113 0.804) 4.211 2.401 ( -2.696 -3.520 -0.823) 4.509 2.748 ( -2.939 2.509 -3.115) 4.964 3.251 ( -4.953 1.639 2.556) 5.810 3.825 ( -2.232 -1.448 -1.417) 3.014 4.037 ( -0.780 1.408 0.485) 1.681 4.216 ( 1.300 -2.012 0.623) 2.475 4.601 ( -0.519 7.760 -0.543) 7.796 4.751 ( 0.216 -1.260 0.479) 1.365 4.914 ( 7.189 -4.913 0.500) 8.722 ======================= Grid point 54 (41/288) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -11.137 -0.000 0.000) 11.137 1.912 ( -8.556 -0.000 0.000) 8.556 2.290 ( -6.141 -0.000 0.000) 6.141 2.314 ( 0.374 0.000 -0.000) 0.374 2.742 ( 1.610 0.000 -0.000) 1.610 3.086 ( -14.781 -0.000 0.000) 14.781 3.791 ( -0.700 -0.000 0.000) 0.700 4.015 ( -2.450 -0.000 0.000) 2.450 4.239 ( 2.283 0.000 -0.000) 2.283 4.624 ( -0.997 -0.000 0.000) 0.997 4.753 ( 0.802 0.000 -0.000) 0.802 5.055 ( 10.915 0.000 -0.000) 10.915 ======================= Grid point 61 (42/288) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 0.000 13.492 2.409) 13.706 1.730 ( 0.000 15.417 1.232) 15.466 1.878 ( -0.000 0.657 -1.937) 2.045 2.328 ( -0.000 1.023 -10.632) 10.681 2.534 ( 0.000 15.052 0.458) 15.059 2.798 ( 0.000 0.117 10.020) 10.021 3.787 ( -0.000 2.667 -1.442) 3.032 3.962 ( 0.000 1.090 1.306) 1.702 4.297 ( -0.000 -0.510 -1.415) 1.504 4.408 ( -0.000 -6.265 -0.424) 6.279 4.818 ( -0.000 -2.836 -0.450) 2.872 5.453 ( -0.000 -6.506 -2.218) 6.874 ======================= Grid point 62 (43/288) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -1.708 4.486 -6.586) 8.150 1.818 ( -1.343 15.016 7.806) 16.977 2.017 ( 7.914 5.264 -2.631) 9.862 2.309 ( 1.014 0.690 -9.014) 9.097 2.592 ( 0.474 -3.388 2.762) 4.397 2.956 ( 3.618 14.848 8.021) 17.259 3.814 ( 0.358 2.477 -0.129) 2.506 3.979 ( 0.475 1.048 0.717) 1.356 4.259 ( 0.048 -3.945 -0.654) 4.000 4.417 ( 4.436 -2.290 -0.806) 5.057 4.785 ( -1.087 -1.068 -1.041) 1.845 5.323 ( -6.019 -6.679 -2.384) 9.302 ======================= Grid point 63 (44/288) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 1.722 4.683 -2.008) 5.378 1.985 ( 0.162 13.148 6.709) 14.761 2.191 ( 9.115 2.946 -5.449) 11.021 2.333 ( 1.965 2.161 -3.603) 4.638 2.561 ( 1.599 -5.804 2.060) 6.363 3.165 ( 1.915 11.094 2.462) 11.525 3.848 ( 0.650 1.872 2.610) 3.277 4.007 ( 1.798 0.521 -0.168) 1.880 4.226 ( -1.306 -0.255 -1.400) 1.932 4.484 ( 6.793 -3.780 -0.724) 7.807 4.758 ( -1.330 0.741 -1.048) 1.848 5.116 ( -9.002 -5.751 -1.866) 10.844 ======================= Grid point 64 (45/288) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 4.161 6.313 2.131) 7.855 2.111 ( 0.531 8.277 3.013) 8.825 2.349 ( 2.940 4.557 -2.262) 5.875 2.370 ( 1.923 -0.617 2.380) 3.122 2.594 ( 9.296 -2.978 -2.589) 10.099 3.234 ( -3.159 4.836 -2.832) 6.433 3.890 ( 1.265 1.079 3.528) 3.900 4.047 ( 2.093 0.187 -0.097) 2.103 4.188 ( -3.342 1.421 -1.564) 3.953 4.568 ( 7.177 -3.464 -0.791) 8.009 4.743 ( -1.831 1.511 -0.902) 2.539 4.915 ( -7.164 -3.505 -0.390) 7.985 ======================= Grid point 65 (46/288) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 1.323 5.922 3.043) 6.789 2.203 ( 1.698 5.070 0.736) 5.397 2.326 ( -3.254 -0.518 1.543) 3.638 2.424 ( 1.523 -0.934 0.443) 1.841 2.801 ( 12.524 3.775 -1.946) 13.225 3.161 ( -5.623 0.324 -4.236) 7.047 3.932 ( 1.684 0.521 1.893) 2.586 4.057 ( -2.473 -0.074 0.819) 2.606 4.147 ( -0.413 -0.119 -1.066) 1.150 4.649 ( 4.128 -0.739 -0.539) 4.228 4.701 ( -3.386 1.357 -1.151) 3.825 4.824 ( -0.919 -2.124 0.857) 2.468 ======================= Grid point 66 (47/288) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -4.265 2.427 1.282) 5.072 2.260 ( -2.634 0.904 0.007) 2.784 2.272 ( -0.522 2.106 0.907) 2.351 2.418 ( 0.777 -2.807 -0.388) 2.938 2.961 ( -5.610 6.415 -3.081) 9.062 3.129 ( 9.073 -2.162 1.096) 9.391 3.956 ( -3.333 1.298 -0.784) 3.661 3.995 ( 0.535 -1.664 1.397) 2.237 4.160 ( 1.750 -0.980 0.101) 2.008 4.658 ( -2.957 5.541 -0.751) 6.325 4.712 ( 2.314 -1.253 0.038) 2.632 4.799 ( 0.940 -3.860 0.370) 3.990 ======================= Grid point 67 (48/288) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -7.181 -0.000 0.000) 7.181 2.179 ( -6.048 -0.000 0.000) 6.048 2.295 ( 0.459 0.000 -0.000) 0.459 2.408 ( -0.333 -0.000 0.000) 0.333 2.851 ( -7.158 -0.000 0.000) 7.158 3.271 ( 4.463 0.000 -0.000) 4.463 3.873 ( -4.329 -0.000 0.000) 4.329 4.033 ( 2.065 0.000 -0.000) 2.065 4.181 ( 1.454 0.000 -0.000) 1.454 4.669 ( -1.408 -0.000 0.000) 1.408 4.722 ( 1.451 0.000 -0.000) 1.451 4.801 ( 2.471 0.000 -0.000) 2.471 ======================= Grid point 76 (49/288) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -0.000 1.627 -7.536) 7.710 1.909 ( -0.000 2.247 -8.450) 8.744 2.020 ( 0.000 9.218 7.028) 11.592 2.293 ( -0.000 3.071 -4.248) 5.242 2.565 ( 0.000 -4.338 5.077) 6.678 3.113 ( 0.000 16.077 7.202) 17.616 3.835 ( -0.000 2.678 -1.019) 2.865 3.991 ( 0.000 1.111 0.720) 1.324 4.184 ( 0.000 -6.418 1.078) 6.508 4.384 ( -0.000 0.865 -1.797) 1.994 4.787 ( -0.000 0.471 -1.196) 1.285 5.296 ( -0.000 -7.642 -2.415) 8.015 ======================= Grid point 77 (50/288) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 0.903 1.459 -4.484) 4.802 1.974 ( 10.229 -3.170 -10.283) 14.846 2.127 ( -0.102 9.160 6.019) 10.961 2.332 ( 0.593 3.356 -0.021) 3.408 2.532 ( -0.866 -2.825 3.436) 4.531 3.279 ( -0.171 11.661 4.413) 12.469 3.865 ( 0.708 2.360 0.625) 2.542 3.992 ( -0.369 -0.163 0.179) 0.441 4.184 ( 4.480 -2.361 0.181) 5.067 4.388 ( 0.732 -0.611 -1.474) 1.756 4.789 ( -0.936 2.161 -0.932) 2.532 5.167 ( -4.707 -7.323 -2.079) 8.950 ======================= Grid point 78 (51/288) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 5.886 3.501 0.411) 6.861 2.097 ( 9.862 -3.343 -6.553) 12.304 2.267 ( 5.103 7.673 4.232) 10.141 2.361 ( 0.461 0.192 0.548) 0.741 2.506 ( -0.691 -0.657 0.842) 1.272 3.342 ( -3.541 5.566 -0.021) 6.597 3.903 ( 0.211 1.703 3.014) 3.469 3.998 ( 2.223 -0.765 -1.067) 2.582 4.248 ( 0.800 2.878 -0.937) 3.131 4.400 ( 4.914 -4.081 -0.567) 6.412 4.790 ( -1.769 2.654 -0.350) 3.208 4.998 ( -6.213 -4.969 -1.178) 8.042 ======================= Grid point 79 (52/288) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 6.191 3.191 1.749) 7.182 2.202 ( 4.791 0.984 -1.361) 5.077 2.339 ( -0.837 -2.224 2.001) 3.107 2.440 ( -0.279 3.624 1.058) 3.786 2.558 ( 12.905 -0.200 -1.784) 13.029 3.278 ( -6.792 1.395 -1.967) 7.207 3.923 ( 0.339 0.481 1.610) 1.714 4.040 ( 2.759 -0.324 -0.180) 2.784 4.223 ( -5.363 1.723 -0.589) 5.664 4.495 ( 8.917 -2.526 -0.261) 9.272 4.767 ( -2.826 0.898 -0.235) 2.974 4.872 ( -4.343 -0.954 -0.077) 4.447 ======================= Grid point 80 (53/288) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 1.207 0.000 -0.000) 1.207 2.269 ( 1.885 0.000 -0.000) 1.885 2.303 ( -1.482 -0.000 0.000) 1.482 2.415 ( -2.188 -0.000 0.000) 2.188 2.847 ( 17.237 0.000 -0.000) 17.237 3.144 ( -8.457 -0.000 0.000) 8.457 3.945 ( 1.739 0.000 -0.000) 1.739 4.053 ( -2.706 -0.000 0.000) 2.706 4.146 ( -1.953 -0.000 0.000) 1.953 4.624 ( 6.697 0.000 -0.000) 6.697 4.726 ( -2.109 -0.000 0.000) 2.109 4.805 ( -3.123 -0.000 0.000) 3.123 ======================= Grid point 92 (54/288) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -0.000 0.161 -4.275) 4.278 1.797 ( -0.000 -4.436 -8.374) 9.476 2.212 ( 0.000 5.770 3.751) 6.882 2.359 ( 0.000 1.433 1.685) 2.212 2.534 ( 0.000 -0.193 1.661) 1.673 3.406 ( 0.000 8.844 4.494) 9.920 3.876 ( -0.000 1.716 -0.480) 1.782 4.012 ( 0.000 0.667 0.237) 0.708 4.097 ( 0.000 -2.852 0.687) 2.934 4.386 ( -0.000 0.411 -1.327) 1.389 4.827 ( -0.000 4.063 -0.572) 4.103 5.122 ( -0.000 -8.071 -1.926) 8.297 ======================= Grid point 93 (55/288) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 4.205 1.840 0.171) 4.593 1.832 ( 9.795 -4.074 -6.051) 12.213 2.283 ( 2.094 3.393 2.138) 4.524 2.365 ( -0.336 -0.251 1.175) 1.248 2.532 ( -1.123 0.758 0.403) 1.413 3.456 ( -3.078 3.919 1.635) 5.245 3.910 ( 2.114 1.406 0.792) 2.660 3.979 ( -2.025 -0.751 -0.360) 2.190 4.162 ( 7.207 -0.293 -0.012) 7.213 4.373 ( -1.497 -0.185 -0.656) 1.645 4.859 ( -1.778 4.607 0.033) 4.938 5.013 ( -2.725 -6.431 -1.217) 7.090 ======================= Grid point 94 (56/288) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 6.895 0.000 -0.000) 6.895 2.015 ( 13.694 0.000 -0.000) 13.694 2.353 ( -0.969 -0.000 0.000) 0.969 2.373 ( 6.137 0.000 -0.000) 6.137 2.507 ( -2.236 -0.000 0.000) 2.236 3.396 ( -5.714 -0.000 0.000) 5.714 3.938 ( -1.321 -0.000 0.000) 1.321 3.979 ( 3.670 0.000 -0.000) 3.670 4.313 ( 9.584 0.000 -0.000) 9.584 4.320 ( -4.057 -0.000 0.000) 4.057 4.834 ( -3.776 -0.000 0.000) 3.776 4.926 ( -3.022 -0.000 0.000) 3.022 ======================= Grid point 109 (57/288) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 0.000 0.000 0.000) 0.000 1.718 ( 0.000 0.000 0.000) 0.000 2.283 ( 0.000 0.000 0.000) 0.000 2.368 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 3.510 ( 0.000 0.000 0.000) 0.000 3.893 ( 0.000 0.000 0.000) 0.000 4.020 ( 0.000 0.000 0.000) 0.000 4.071 ( 0.000 0.000 0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.917 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 218 (58/288) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.189 ( 0.000 -0.000 20.676) 20.676 0.189 ( 0.000 -0.000 20.676) 20.676 0.321 ( 0.000 -0.000 35.144) 35.144 2.033 ( -0.000 0.000 -2.171) 2.171 2.033 ( -0.000 0.000 -2.171) 2.171 3.716 ( -0.000 0.000 -0.466) 0.466 3.716 ( -0.000 0.000 -0.466) 0.466 3.771 ( -0.000 0.000 -7.567) 7.567 3.911 ( 0.000 -0.000 0.725) 0.725 3.911 ( 0.000 -0.000 0.725) 0.725 5.047 ( 0.000 -0.000 4.086) 4.086 5.930 ( -0.000 0.000 -0.569) 0.569 ======================= Grid point 219 (59/288) ======================= q-point: ( 0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( 11.756 6.788 6.209) 14.928 0.403 ( 11.117 6.418 11.085) 16.961 0.893 ( 27.229 15.721 18.027) 36.242 2.047 ( 2.549 1.472 -4.394) 5.289 2.048 ( 0.904 0.522 -1.032) 1.468 3.240 ( -4.787 -2.764 -0.938) 5.607 3.723 ( 0.604 0.349 -0.383) 0.796 3.906 ( -0.387 -0.223 0.635) 0.776 3.981 ( 5.502 3.176 0.715) 6.393 4.854 ( 10.229 5.906 -27.955) 30.348 5.089 ( 1.848 1.067 0.918) 2.323 5.721 ( -9.237 -5.333 4.031) 11.402 ======================= Grid point 220 (60/288) ======================= q-point: ( 0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 14.485 8.363 0.189) 16.727 0.724 ( 14.252 8.228 1.107) 16.494 1.557 ( 25.357 14.640 9.323) 30.728 2.068 ( 0.959 0.554 0.219) 1.129 2.119 ( 4.904 2.831 -4.019) 6.943 3.146 ( -3.164 -1.826 -1.080) 3.809 3.742 ( 1.172 0.677 -0.631) 1.493 3.900 ( -0.225 -0.130 0.738) 0.783 4.133 ( 6.600 3.810 1.174) 7.711 4.865 ( -1.130 -0.652 -8.087) 8.191 5.045 ( -6.521 -3.765 5.592) 9.379 5.537 ( -6.394 -3.692 -6.757) 10.008 ======================= Grid point 221 (61/288) ======================= q-point: ( 0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 14.768 8.526 -2.355) 17.214 1.055 ( 14.482 8.361 -4.484) 17.313 2.028 ( 12.092 6.982 -8.506) 16.350 2.092 ( 0.829 0.479 1.603) 1.867 2.321 ( 14.238 8.220 8.842) 18.667 3.091 ( -1.772 -1.023 3.436) 3.999 3.775 ( 1.931 1.115 -1.036) 2.459 3.903 ( 0.266 0.153 0.922) 0.972 4.264 ( 3.914 2.260 -0.035) 4.520 4.781 ( -6.599 -3.810 1.355) 7.739 4.864 ( -7.727 -4.461 3.331) 9.524 5.385 ( -4.397 -2.539 -10.534) 11.694 ======================= Grid point 222 (62/288) ======================= q-point: ( 0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 13.493 7.790 -4.103) 16.111 1.362 ( 13.388 7.729 -7.687) 17.264 2.115 ( 0.475 0.274 3.120) 3.168 2.178 ( 6.034 3.484 -8.457) 10.958 2.693 ( 11.913 6.878 6.264) 15.115 3.086 ( -0.080 -0.046 8.917) 8.918 3.825 ( 2.583 1.491 -1.329) 3.266 3.918 ( 0.750 0.433 1.044) 1.357 4.297 ( -1.064 -0.614 -1.322) 1.805 4.563 ( -10.073 -5.816 4.910) 12.625 4.769 ( -2.046 -1.181 -2.204) 3.231 5.271 ( -3.028 -1.748 -7.777) 8.527 ======================= Grid point 223 (63/288) ======================= q-point: ( 0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 10.870 6.276 -5.503) 13.705 1.629 ( 11.597 6.695 -8.269) 15.738 2.130 ( -0.269 -0.155 4.655) 4.665 2.301 ( 6.183 3.570 -4.048) 8.208 2.834 ( -0.397 -0.229 3.293) 3.324 3.133 ( 0.476 0.275 8.886) 8.903 3.883 ( 2.583 1.491 -1.485) 3.332 3.941 ( 0.916 0.529 1.159) 1.570 4.225 ( -3.767 -2.175 0.726) 4.410 4.403 ( -4.493 -2.594 -0.421) 5.205 4.750 ( 1.263 0.729 -2.036) 2.504 5.189 ( -2.835 -1.637 -3.896) 5.089 ======================= Grid point 224 (64/288) ======================= q-point: ( 0.50 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 7.535 4.350 -6.291) 10.737 1.846 ( 8.824 5.094 -6.704) 12.196 2.125 ( -1.726 -0.996 5.780) 6.114 2.425 ( 4.631 2.674 -1.878) 5.667 2.767 ( -4.656 -2.688 1.340) 5.541 3.120 ( -3.024 -1.746 6.856) 7.694 3.929 ( 1.641 0.947 -1.616) 2.490 3.964 ( 0.647 0.374 1.371) 1.561 4.169 ( -1.233 -0.712 0.383) 1.475 4.329 ( -1.790 -1.034 -0.875) 2.245 4.817 ( 4.447 2.568 -0.837) 5.203 5.105 ( -3.589 -2.072 -1.789) 4.514 ======================= Grid point 225 (65/288) ======================= q-point: (-0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 4.036 2.330 -5.344) 7.090 1.975 ( 2.811 1.623 -2.715) 4.231 2.077 ( -3.834 -2.214 5.272) 6.885 2.481 ( 0.814 0.470 -1.030) 1.395 2.672 ( -2.716 -1.568 -4.820) 5.751 3.087 ( -0.987 -0.570 7.629) 7.713 3.946 ( 0.231 0.133 -1.583) 1.605 3.975 ( -0.149 -0.086 1.486) 1.496 4.153 ( -0.395 -0.228 -0.988) 1.088 4.316 ( 0.667 0.385 1.037) 1.292 4.896 ( 0.090 0.052 0.151) 0.183 5.045 ( 0.828 0.478 -0.575) 1.116 ======================= Grid point 226 (66/288) ======================= q-point: (-0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -5.766 -3.329 5.710) 8.771 1.950 ( -4.769 -2.753 4.221) 6.938 2.014 ( 0.340 0.196 -5.315) 5.329 2.464 ( -3.071 -1.773 2.059) 4.101 2.639 ( 3.055 1.764 -11.361) 11.896 3.100 ( -0.903 -0.521 4.053) 4.185 3.930 ( -1.161 -0.670 -1.466) 1.986 3.966 ( -0.990 -0.571 1.530) 1.909 4.146 ( 0.610 0.352 -1.913) 2.038 4.359 ( 2.246 1.297 2.074) 3.321 4.831 ( -3.493 -2.017 0.606) 4.078 5.137 ( 5.070 2.927 1.449) 6.031 ======================= Grid point 227 (67/288) ======================= q-point: (-0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -11.623 -6.711 7.650) 15.448 1.796 ( -10.147 -5.858 9.404) 15.023 2.025 ( 1.368 0.790 -6.739) 6.921 2.385 ( -3.541 -2.044 4.738) 6.258 2.713 ( 4.678 2.701 -10.506) 11.813 3.002 ( -8.073 -4.661 -3.883) 10.099 3.886 ( -2.192 -1.265 -1.186) 2.795 3.943 ( -1.246 -0.720 1.366) 1.984 4.199 ( 4.866 2.810 -1.651) 5.857 4.413 ( 1.797 1.038 0.438) 2.121 4.783 ( -0.703 -0.406 1.414) 1.631 5.264 ( 5.198 3.001 3.816) 7.113 ======================= Grid point 228 (68/288) ======================= q-point: (-0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -14.491 -8.366 7.533) 18.350 1.538 ( -14.427 -8.329 10.544) 19.715 2.031 ( 0.843 0.487 -5.886) 5.966 2.336 ( -2.784 -1.608 7.654) 8.302 2.593 ( -17.307 -9.992 -3.332) 20.261 2.879 ( 4.549 2.626 -13.096) 14.111 3.828 ( -2.359 -1.362 -1.036) 2.914 3.920 ( -1.017 -0.587 1.246) 1.712 4.312 ( 1.785 1.030 0.262) 2.077 4.478 ( 6.755 3.900 -4.161) 8.840 4.802 ( 1.780 1.028 1.448) 2.514 5.402 ( 5.383 3.108 5.774) 8.484 ======================= Grid point 229 (69/288) ======================= q-point: (-0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -15.888 -9.173 7.933) 19.988 1.202 ( -16.849 -9.728 10.006) 21.878 2.030 ( 0.538 0.311 -5.025) 5.063 2.053 ( -25.569 -14.762 -4.484) 29.863 2.291 ( -3.951 -2.281 4.373) 6.320 2.991 ( 6.585 3.802 -6.385) 9.929 3.775 ( -1.837 -1.061 -1.032) 2.359 3.906 ( -0.478 -0.276 1.204) 1.324 4.256 ( -5.014 -2.895 -0.992) 5.874 4.700 ( 11.577 6.684 -5.546) 14.472 4.865 ( 3.054 1.763 1.632) 3.886 5.541 ( 4.833 2.791 5.838) 8.077 ======================= Grid point 230 (70/288) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -16.006 -9.241 9.313) 20.696 0.829 ( -17.587 -10.154 9.596) 22.460 1.395 ( -29.091 -16.795 -5.186) 33.989 2.027 ( 0.441 0.255 -4.150) 4.181 2.196 ( -5.004 -2.889 2.761) 6.404 3.127 ( 5.878 3.394 -2.515) 7.238 3.738 ( -1.056 -0.610 -0.976) 1.562 3.904 ( -0.005 -0.003 1.123) 1.123 4.110 ( -6.637 -3.832 -1.496) 7.808 4.909 ( 6.231 3.598 -8.358) 11.028 4.972 ( 6.643 3.835 3.304) 8.352 5.653 ( 3.307 1.909 4.273) 5.731 ======================= Grid point 233 (71/288) ======================= q-point: ( 0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 0.000 20.672 5.390) 21.363 0.560 ( 0.000 15.285 15.613) 21.849 0.832 ( 0.000 24.117 21.165) 32.087 1.990 ( -0.000 -1.267 -5.006) 5.164 2.084 ( -0.000 5.123 -2.016) 5.506 3.231 ( -0.000 -7.436 -1.528) 7.592 3.711 ( -0.000 0.229 -0.990) 1.016 3.920 ( 0.000 0.071 1.366) 1.368 3.954 ( -0.000 5.391 -1.257) 5.536 4.742 ( -0.000 15.122 -29.283) 32.957 5.091 ( 0.000 0.248 3.951) 3.959 5.776 ( 0.000 -7.279 3.011) 7.877 ======================= Grid point 234 (72/288) ======================= q-point: ( 0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -2.714 15.478 14.860) 21.627 0.769 ( 3.694 21.830 0.090) 22.141 1.364 ( 19.620 21.069 12.082) 31.223 1.997 ( 4.000 -0.953 -4.363) 5.995 2.132 ( -0.211 5.924 -2.357) 6.379 3.140 ( -1.218 -5.350 -3.186) 6.345 3.727 ( 1.237 0.492 -0.701) 1.504 3.908 ( -0.835 0.252 0.643) 1.084 4.075 ( 5.474 5.456 0.366) 7.738 4.799 ( 3.416 0.038 -14.019) 14.429 5.078 ( -1.452 -4.578 4.439) 6.540 5.632 ( -8.468 -3.777 -2.000) 9.485 ======================= Grid point 235 (73/288) ======================= q-point: ( 0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 5.614 13.297 8.385) 16.692 1.057 ( 5.591 19.813 -3.611) 20.901 1.862 ( 13.041 10.939 -4.506) 17.608 2.106 ( 4.943 5.566 1.686) 7.632 2.211 ( 6.973 6.122 3.356) 9.867 3.077 ( 0.454 -4.448 -0.243) 4.478 3.756 ( 1.463 1.096 -0.531) 1.904 3.905 ( -0.078 0.479 0.549) 0.733 4.216 ( 4.565 3.445 0.310) 5.727 4.786 ( 0.632 -3.258 -4.811) 5.845 4.964 ( -6.292 -7.266 5.697) 11.173 5.432 ( -8.328 -2.578 -7.804) 11.701 ======================= Grid point 236 (74/288) ======================= q-point: ( 0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 9.370 10.597 2.601) 14.382 1.335 ( 6.638 16.959 -5.993) 19.173 2.048 ( 6.634 3.012 -6.375) 9.681 2.175 ( -0.382 5.515 -2.573) 6.098 2.566 ( 14.262 9.444 7.956) 18.865 3.068 ( 2.488 -3.390 4.758) 6.350 3.799 ( 2.055 1.628 -0.459) 2.662 3.916 ( 0.239 0.891 0.691) 1.153 4.284 ( 1.258 -0.048 -1.291) 1.803 4.708 ( -7.127 -4.505 4.251) 9.443 4.794 ( -4.785 -3.124 -0.765) 5.766 5.266 ( -3.878 -3.654 -8.504) 10.035 ======================= Grid point 237 (75/288) ======================= q-point: ( 0.43 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 10.032 7.929 -1.541) 12.880 1.590 ( 6.707 14.213 -6.397) 16.968 2.148 ( 1.764 2.475 1.209) 3.271 2.240 ( 3.684 5.495 -3.872) 7.666 2.812 ( 4.683 1.786 2.355) 5.537 3.125 ( 3.494 -0.974 7.958) 8.745 3.856 ( 2.473 2.057 -0.376) 3.239 3.933 ( 0.354 0.776 1.012) 1.324 4.260 ( -1.660 -1.923 -1.362) 2.882 4.517 ( -10.095 -0.925 1.981) 10.329 4.735 ( -0.303 -0.644 -2.259) 2.368 5.170 ( -0.608 -4.567 -4.715) 6.592 ======================= Grid point 238 (76/288) ======================= q-point: ( 0.50 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 8.808 5.377 -3.750) 10.979 1.811 ( 5.543 11.922 -5.904) 14.413 2.175 ( -1.583 1.772 4.119) 4.755 2.371 ( 5.169 4.924 -2.164) 7.460 2.814 ( -2.991 -2.723 0.527) 4.079 3.163 ( -0.643 -1.694 6.522) 6.769 3.917 ( 1.581 2.565 -0.969) 3.165 3.949 ( 0.816 -0.248 1.628) 1.838 4.214 ( -1.783 0.631 -0.785) 2.048 4.377 ( -5.928 0.373 -0.324) 5.949 4.760 ( 3.434 1.141 -1.328) 3.855 5.104 ( -0.804 -4.781 -2.060) 5.267 ======================= Grid point 239 (77/288) ======================= q-point: ( 0.57 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 5.938 2.616 -4.694) 8.009 1.980 ( 3.020 9.246 -4.592) 10.756 2.154 ( -3.802 0.232 5.149) 6.405 2.474 ( 1.988 3.076 -1.394) 3.919 2.701 ( -4.755 -2.758 -3.785) 6.674 3.141 ( -1.951 -0.496 8.328) 8.568 3.940 ( -0.133 0.477 -1.380) 1.466 3.971 ( 0.943 0.149 1.319) 1.628 4.208 ( -2.083 4.446 -0.907) 4.993 4.313 ( -1.254 -0.660 0.585) 1.533 4.848 ( 4.674 0.301 -0.095) 4.684 5.034 ( -1.017 -3.628 -1.212) 3.958 ======================= Grid point 240 (78/288) ======================= q-point: (-0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 1.918 -1.755 -2.708) 3.754 2.060 ( -2.088 5.290 -0.379) 5.700 2.075 ( -5.774 -0.433 3.351) 6.690 2.499 ( -1.108 1.289 -0.305) 1.727 2.605 ( -1.585 -0.174 -8.758) 8.902 3.146 ( -1.574 1.449 7.850) 8.136 3.923 ( -0.487 -1.783 -1.650) 2.477 3.981 ( -0.600 0.366 1.060) 1.272 4.205 ( -3.624 5.457 -1.169) 6.655 4.331 ( 2.785 0.350 1.794) 3.332 4.855 ( -1.758 -3.393 0.234) 3.829 5.054 ( 5.590 -0.242 0.102) 5.596 ======================= Grid point 241 (79/288) ======================= q-point: (-0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -5.407 -7.964 5.565) 11.119 1.940 ( -7.520 -1.734 1.664) 7.895 2.072 ( -3.548 5.911 -0.756) 6.935 2.441 ( -3.873 -2.212 2.291) 5.014 2.627 ( 4.100 4.366 -11.780) 13.215 3.106 ( -6.993 -0.927 2.785) 7.584 3.881 ( -0.692 -3.047 -1.734) 3.573 3.968 ( -1.552 0.450 1.344) 2.102 4.207 ( -0.949 4.922 -1.121) 5.137 4.400 ( 2.253 2.635 0.963) 3.598 4.793 ( -1.340 -1.909 0.778) 2.458 5.169 ( 7.494 -0.947 1.992) 7.812 ======================= Grid point 242 (80/288) ======================= q-point: (-0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -11.917 -10.730 8.227) 18.023 1.773 ( -11.245 -2.243 4.347) 12.263 2.060 ( -3.332 5.147 -3.339) 6.982 2.378 ( -1.984 -2.050 4.131) 5.020 2.718 ( 2.847 3.263 -5.920) 7.335 2.872 ( -14.109 -4.828 -5.986) 16.069 3.833 ( -0.941 -2.694 -1.298) 3.135 3.947 ( -1.816 0.517 1.431) 2.369 4.274 ( 3.411 2.795 -0.338) 4.423 4.460 ( 0.930 5.232 -1.929) 5.653 4.785 ( 1.111 -0.237 1.057) 1.552 5.305 ( 8.340 -1.206 3.647) 9.183 ======================= Grid point 243 (81/288) ======================= q-point: (-0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -14.569 -11.890 8.085) 20.469 1.521 ( -16.877 -1.461 5.144) 17.704 2.045 ( -2.087 3.582 -4.412) 6.054 2.334 ( -2.455 -2.761 2.962) 4.735 2.388 ( -25.772 -7.104 -1.044) 26.753 2.877 ( 7.629 3.237 -6.830) 10.739 3.788 ( -1.356 -1.540 -1.002) 2.283 3.926 ( -1.492 0.271 1.228) 1.952 4.299 ( -2.004 -1.495 -0.441) 2.539 4.587 ( 7.281 7.830 -3.686) 11.310 4.826 ( 2.966 0.408 1.050) 3.173 5.451 ( 8.117 -1.099 3.496) 8.906 ======================= Grid point 244 (82/288) ======================= q-point: (-0.07 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -15.308 -11.280 8.307) 20.750 1.193 ( -20.242 -1.822 2.792) 20.514 1.815 ( -30.878 -4.909 -0.630) 31.272 2.034 ( -1.332 2.608 -3.620) 4.656 2.257 ( -4.212 -2.982 1.467) 5.365 3.029 ( 7.416 2.703 -2.262) 8.211 3.752 ( -1.298 -0.292 -0.741) 1.523 3.910 ( -0.676 -0.277 0.874) 1.139 4.202 ( -6.417 -1.125 -0.828) 6.567 4.794 ( 8.677 5.260 -5.709) 11.643 4.904 ( 5.163 0.611 3.132) 6.069 5.575 ( 6.560 -1.731 1.169) 6.885 ======================= Grid point 248 (83/288) ======================= q-point: ( 0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 0.000 20.916 3.678) 21.237 0.962 ( 0.000 16.177 11.818) 20.034 1.461 ( 0.000 27.632 11.648) 29.986 1.927 ( -0.000 -1.330 -6.475) 6.611 2.192 ( -0.000 6.302 -3.139) 7.041 3.074 ( -0.000 -6.893 -3.203) 7.601 3.715 ( -0.000 0.933 -1.311) 1.610 3.932 ( 0.000 0.212 1.605) 1.619 4.083 ( -0.000 7.484 -1.256) 7.589 4.718 ( -0.000 -1.743 -11.230) 11.365 5.049 ( 0.000 -6.701 4.881) 8.290 5.665 ( -0.000 -4.436 -2.538) 5.111 ======================= Grid point 249 (84/288) ======================= q-point: ( 0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -4.201 17.458 12.984) 22.159 1.194 ( 1.646 19.891 -1.371) 20.006 1.812 ( 4.948 14.558 -3.767) 15.831 2.014 ( 11.738 8.693 3.264) 14.967 2.235 ( -0.278 5.414 -2.647) 6.033 3.003 ( 0.846 -6.509 -0.713) 6.602 3.738 ( 1.479 1.115 -0.701) 1.981 3.926 ( -1.015 1.092 0.664) 1.632 4.188 ( 3.303 5.309 -0.542) 6.276 4.686 ( 2.990 -5.083 -5.690) 8.195 4.969 ( -2.215 -7.923 3.925) 9.115 5.540 ( -7.646 -3.581 -4.606) 9.618 ======================= Grid point 250 (85/288) ======================= q-point: ( 0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -1.213 16.582 10.356) 19.588 1.408 ( 3.132 16.686 -4.759) 17.632 1.957 ( 6.203 5.824 -7.558) 11.381 2.228 ( -0.046 5.461 -5.963) 8.086 2.453 ( 13.192 12.388 7.850) 19.726 2.980 ( 3.223 -5.250 3.400) 7.036 3.779 ( 1.855 1.226 0.513) 2.282 3.933 ( -0.139 2.070 -0.060) 2.076 4.261 ( 1.181 1.088 -1.203) 2.006 4.681 ( 3.238 -5.359 -0.605) 6.290 4.847 ( -4.265 -5.926 1.873) 7.537 5.329 ( -9.607 -3.548 -6.180) 11.961 ======================= Grid point 251 (86/288) ======================= q-point: ( 0.43 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 1.909 13.229 5.147) 14.323 1.621 ( 4.808 14.546 -4.028) 15.841 2.114 ( 5.891 6.471 -3.604) 9.464 2.259 ( 0.262 4.515 -3.210) 5.546 2.733 ( 7.178 2.750 0.909) 7.740 3.049 ( 5.948 -0.430 6.371) 8.727 3.831 ( 2.347 1.291 1.679) 3.161 3.957 ( -0.202 2.863 -0.012) 2.870 4.248 ( -0.728 -2.271 -1.888) 3.041 4.659 ( -3.153 -2.599 2.560) 4.822 4.736 ( -2.761 -1.504 -2.149) 3.808 5.134 ( -4.714 -5.252 -4.932) 8.610 ======================= Grid point 252 (87/288) ======================= q-point: ( 0.50 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 3.729 10.172 2.027) 11.022 1.834 ( 4.736 12.853 -3.119) 14.048 2.227 ( 0.385 4.180 0.922) 4.297 2.335 ( 4.047 5.440 -1.955) 7.056 2.802 ( 1.902 -2.511 -0.589) 3.204 3.144 ( 2.365 -0.601 3.200) 4.024 3.896 ( 2.771 1.323 2.220) 3.789 3.974 ( -1.333 2.759 0.265) 3.075 4.209 ( 0.188 -2.079 -1.896) 2.820 4.539 ( -9.049 2.243 0.100) 9.324 4.719 ( 1.515 0.154 -1.682) 2.269 5.035 ( 0.583 -6.571 -1.880) 6.860 ======================= Grid point 253 (88/288) ======================= q-point: ( 0.57 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 2.975 7.202 -0.194) 7.794 2.016 ( 3.274 10.549 -2.787) 11.392 2.237 ( -2.969 1.606 3.553) 4.901 2.455 ( 3.771 3.783 -1.083) 5.451 2.755 ( -4.207 -1.027 -3.997) 5.893 3.162 ( 1.025 -1.305 4.237) 4.550 3.951 ( 0.602 -0.500 1.842) 2.001 3.969 ( -0.790 2.576 -0.626) 2.766 4.217 ( 2.481 -0.109 -0.947) 2.658 4.421 ( -7.857 4.093 -0.259) 8.863 4.769 ( 3.915 0.031 -0.442) 3.940 4.985 ( 0.908 -5.692 -0.878) 5.830 ======================= Grid point 254 (89/288) ======================= q-point: (-0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 0.252 3.106 -1.673) 3.537 2.132 ( 0.355 7.020 -1.522) 7.192 2.182 ( -5.129 -0.264 4.121) 6.585 2.515 ( 0.746 -0.133 -0.312) 0.819 2.649 ( -5.376 3.269 -8.138) 10.287 3.200 ( 0.861 1.449 7.068) 7.266 3.919 ( -1.709 -1.473 -1.021) 2.476 3.996 ( 0.249 1.426 0.635) 1.581 4.275 ( 3.620 -1.248 1.134) 3.994 4.351 ( -5.643 7.298 -0.779) 9.258 4.818 ( 2.098 -2.970 0.249) 3.644 4.961 ( 2.758 -3.132 -0.681) 4.228 ======================= Grid point 255 (90/288) ======================= q-point: (-0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -3.339 -2.327 0.300) 4.081 2.067 ( -7.617 -1.105 2.059) 7.968 2.183 ( -1.769 5.530 1.230) 5.935 2.473 ( -2.398 -3.494 -0.513) 4.269 2.622 ( -1.158 6.809 -8.846) 11.223 3.225 ( -3.634 1.854 5.628) 6.951 3.864 ( -1.593 -2.627 -1.550) 3.441 4.007 ( -0.981 1.528 0.762) 1.969 4.265 ( -1.443 -1.142 0.539) 1.918 4.414 ( 1.332 8.497 -0.183) 8.603 4.791 ( -0.697 -2.711 0.321) 2.818 5.017 ( 6.928 -3.765 0.414) 7.896 ======================= Grid point 256 (91/288) ======================= q-point: (-0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -8.673 -6.423 4.635) 11.746 1.918 ( -8.269 -0.765 -0.316) 8.310 2.196 ( -4.249 5.703 1.231) 7.218 2.391 ( -2.132 -3.653 0.440) 4.252 2.671 ( 2.527 5.321 -7.355) 9.423 3.099 ( -13.159 -1.054 1.690) 13.309 3.814 ( -0.664 -2.278 -0.654) 2.461 3.998 ( -2.084 1.455 0.874) 2.688 4.252 ( 1.053 -0.297 -0.179) 1.108 4.513 ( 0.268 7.908 -1.076) 7.985 4.767 ( 0.307 -1.101 0.434) 1.223 5.123 ( 9.674 -4.387 1.506) 10.728 ======================= Grid point 257 (92/288) ======================= q-point: (-0.14 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -14.152 -6.790 5.355) 16.585 1.749 ( -10.728 -1.214 -0.808) 10.827 2.149 ( -5.958 4.052 -1.924) 7.458 2.339 ( -0.817 -3.060 1.439) 3.479 2.756 ( -10.306 -1.432 -7.568) 12.866 2.789 ( -5.954 3.438 4.819) 8.396 3.788 ( -0.549 -0.952 0.016) 1.099 3.969 ( -2.476 0.459 0.660) 2.603 4.283 ( 2.090 -0.517 -0.488) 2.208 4.583 ( 1.092 6.011 -1.426) 6.274 4.782 ( 2.063 -0.509 0.159) 2.131 5.268 ( 10.549 -3.181 0.753) 11.044 ======================= Grid point 258 (93/288) ======================= q-point: (-0.07 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -16.425 -3.935 4.291) 17.427 1.488 ( -16.590 -2.728 -2.971) 17.074 2.079 ( -4.455 1.645 -4.644) 6.643 2.287 ( -2.451 -2.467 -0.674) 3.542 2.334 ( -26.114 1.992 3.895) 26.478 2.930 ( 6.803 3.321 1.685) 7.755 3.772 ( -1.052 0.481 0.170) 1.170 3.930 ( -1.859 -0.575 0.204) 1.957 4.279 ( -2.395 0.187 -0.568) 2.468 4.690 ( 6.520 2.569 -0.316) 7.015 4.827 ( 3.801 -0.786 0.485) 3.912 5.411 ( 8.905 -2.567 -2.471) 9.592 ======================= Grid point 263 (94/288) ======================= q-point: ( 0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 0.000 15.424 6.756) 16.839 1.379 ( 0.000 19.367 1.706) 19.442 1.869 ( -0.000 -0.556 -4.973) 5.004 2.051 ( 0.000 24.944 1.494) 24.989 2.278 ( -0.000 4.925 -2.627) 5.581 2.930 ( 0.000 -6.567 2.541) 7.041 3.735 ( -0.000 1.910 -1.377) 2.355 3.949 ( 0.000 0.603 1.414) 1.537 4.214 ( -0.000 5.934 -1.514) 6.124 4.579 ( -0.000 -7.493 -2.662) 7.952 4.919 ( 0.000 -7.289 2.051) 7.572 5.554 ( -0.000 -4.627 -4.477) 6.438 ======================= Grid point 264 (95/288) ======================= q-point: ( 0.36 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 0.988 14.860 3.234) 15.240 1.522 ( -4.138 15.121 1.527) 15.751 1.901 ( 4.564 4.656 -4.514) 7.930 2.234 ( 1.697 4.885 -12.362) 13.400 2.442 ( 6.410 15.784 7.605) 18.657 2.899 ( 1.765 -4.241 6.820) 8.223 3.766 ( 1.358 2.052 -0.449) 2.502 3.956 ( -0.276 1.385 0.614) 1.540 4.264 ( 0.141 2.521 -1.716) 3.053 4.535 ( 4.498 -7.800 0.236) 9.007 4.842 ( -1.700 -5.227 0.147) 5.499 5.428 ( -6.903 -4.719 -4.778) 9.631 ======================= Grid point 265 (96/288) ======================= q-point: ( 0.43 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -1.037 9.810 -1.242) 9.943 1.708 ( 1.404 15.762 5.777) 16.846 2.064 ( 7.045 7.565 -4.036) 11.097 2.263 ( 1.961 2.945 -8.279) 9.003 2.649 ( 4.130 1.247 1.621) 4.609 2.987 ( 5.197 4.901 7.676) 10.486 3.816 ( 1.807 1.882 1.640) 3.082 3.978 ( 0.713 2.195 -0.145) 2.313 4.246 ( -1.751 -1.373 -1.839) 2.886 4.572 ( 6.254 -5.297 0.913) 8.246 4.766 ( -2.320 -2.221 -1.113) 3.400 5.215 ( -9.794 -4.618 -4.231) 11.625 ======================= Grid point 266 (97/288) ======================= q-point: ( 0.50 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 2.039 9.477 1.921) 9.882 1.900 ( 1.901 13.362 3.340) 13.904 2.236 ( 4.814 6.257 -2.612) 8.315 2.323 ( 2.765 4.118 -2.988) 5.790 2.691 ( 4.966 -5.220 -0.085) 7.205 3.127 ( 1.759 4.287 1.427) 4.848 3.875 ( 2.089 1.517 3.210) 4.119 4.017 ( 0.579 2.714 -0.034) 2.775 4.188 ( -1.648 -1.925 -1.987) 3.220 4.622 ( 2.980 -2.258 0.358) 3.756 4.714 ( -2.166 0.629 -1.952) 2.982 5.005 ( -6.344 -5.231 -2.035) 8.471 ======================= Grid point 267 (98/288) ======================= q-point: ( 0.57 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 1.397 8.931 3.303) 9.624 2.060 ( 2.509 9.719 0.616) 10.057 2.307 ( -1.509 2.824 1.301) 3.456 2.418 ( 3.764 2.717 -0.457) 4.665 2.748 ( 4.822 -0.459 -2.913) 5.652 3.140 ( -0.959 -0.121 -1.674) 1.933 3.931 ( 1.853 0.490 2.607) 3.236 4.032 ( -2.456 2.518 0.256) 3.527 4.161 ( 1.645 -1.531 -1.369) 2.631 4.599 ( -6.229 3.616 -0.710) 7.238 4.710 ( 2.428 -0.661 -1.125) 2.757 4.901 ( 0.616 -5.485 -0.028) 5.519 ======================= Grid point 268 (99/288) ======================= q-point: ( 0.64 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -1.720 6.139 1.979) 6.676 2.180 ( 1.568 6.350 -0.399) 6.553 2.271 ( -4.215 -0.162 2.909) 5.123 2.475 ( 2.014 -1.807 -0.352) 2.728 2.781 ( -4.171 7.478 -6.689) 10.865 3.162 ( 5.056 -0.919 2.294) 5.627 3.945 ( -1.720 -0.364 0.196) 1.769 4.009 ( -0.814 1.037 0.854) 1.571 4.195 ( 3.556 -1.876 0.295) 4.031 4.527 ( -6.408 6.441 -0.903) 9.130 4.747 ( 2.877 -1.914 -0.019) 3.456 4.881 ( 2.056 -4.194 -0.137) 4.673 ======================= Grid point 269 (100/288) ======================= q-point: (-0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -5.166 1.323 0.881) 5.405 2.181 ( -5.689 -0.378 1.376) 5.865 2.250 ( -0.048 3.923 1.313) 4.137 2.456 ( -0.285 -3.681 -0.942) 3.810 2.744 ( -6.022 8.299 -6.272) 12.020 3.264 ( 3.429 1.061 3.530) 5.034 3.883 ( -3.406 -1.157 -0.698) 3.665 4.027 ( 0.637 0.959 0.871) 1.444 4.224 ( 2.286 -3.496 0.755) 4.245 4.524 ( -2.512 9.285 -0.872) 9.658 4.762 ( 1.177 -2.264 0.292) 2.568 4.881 ( 3.306 -4.791 -0.161) 5.823 ======================= Grid point 270 (101/288) ======================= q-point: (-0.21 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -7.171 -1.926 1.673) 7.612 2.058 ( -8.056 -0.424 0.503) 8.083 2.291 ( -0.243 3.616 2.085) 4.181 2.393 ( -2.655 -3.279 -1.020) 4.341 2.714 ( -3.109 5.489 -4.305) 7.637 3.267 ( -5.255 -0.209 1.007) 5.354 3.821 ( -2.173 -0.779 0.438) 2.349 4.041 ( -0.799 1.098 0.464) 1.435 4.218 ( 1.149 -2.335 -0.221) 2.611 4.595 ( -0.569 7.918 -0.831) 7.982 4.753 ( 0.179 -1.355 0.129) 1.373 4.918 ( 7.518 -5.110 0.294) 9.096 ======================= Grid point 271 (102/288) ======================= q-point: (-0.14 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -10.883 -2.340 1.814) 11.278 1.905 ( -9.052 -0.043 -1.250) 9.138 2.286 ( -6.222 -0.619 -0.888) 6.315 2.321 ( 0.037 -0.053 1.276) 1.277 2.734 ( 1.424 3.272 -1.509) 3.874 3.089 ( -13.789 -0.470 0.797) 13.820 3.798 ( -0.871 0.545 1.530) 1.843 4.016 ( -2.443 -0.497 0.081) 2.494 4.235 ( 2.305 -0.098 -0.893) 2.474 4.624 ( -0.898 1.103 -0.149) 1.430 4.750 ( 0.765 -0.460 -0.574) 1.062 5.051 ( 10.680 -1.252 -0.875) 10.789 ======================= Grid point 272 (103/288) ======================= q-point: (-0.07 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -14.481 0.561 0.331) 14.496 1.711 ( -12.753 -1.086 -4.499) 13.567 2.162 ( -5.374 -1.453 -0.950) 5.648 2.302 ( -2.194 -0.452 -2.169) 3.118 2.728 ( -11.512 1.652 -1.006) 11.673 2.913 ( -2.521 4.252 8.313) 9.672 3.801 ( -0.809 1.712 1.371) 2.338 3.959 ( -2.483 -1.442 -0.333) 2.891 4.277 ( 2.138 0.471 -1.066) 2.435 4.616 ( 2.170 -3.731 2.100) 4.800 4.768 ( 1.990 -0.290 -1.294) 2.391 5.222 ( 9.503 0.224 -4.112) 10.357 ======================= Grid point 278 (104/288) ======================= q-point: ( 0.36 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -0.000 8.980 -4.323) 9.966 1.720 ( -0.000 13.613 -3.444) 14.042 1.889 ( 0.000 4.734 4.113) 6.271 2.217 ( -0.000 2.972 -12.695) 13.038 2.567 ( 0.000 11.853 5.977) 13.274 2.893 ( 0.000 2.507 10.700) 10.990 3.775 ( -0.000 2.730 -1.126) 2.953 3.972 ( 0.000 0.955 0.893) 1.307 4.282 ( -0.000 0.638 -1.869) 1.975 4.413 ( 0.000 -7.000 1.465) 7.152 4.811 ( -0.000 -3.414 -1.119) 3.593 5.422 ( -0.000 -5.810 -4.525) 7.365 ======================= Grid point 279 (105/288) ======================= q-point: ( 0.43 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -0.495 4.845 -6.964) 8.498 1.865 ( 3.636 12.086 0.593) 12.635 1.996 ( 3.721 4.915 -0.325) 6.173 2.233 ( 1.490 4.328 -7.185) 8.519 2.630 ( -0.284 -2.023 5.378) 5.753 3.031 ( 2.303 12.106 8.351) 14.886 3.814 ( 1.389 2.722 0.107) 3.058 3.984 ( 0.191 0.986 0.398) 1.080 4.252 ( -0.685 -2.873 -0.939) 3.099 4.415 ( 4.800 -3.595 0.449) 6.014 4.773 ( -1.060 -1.128 -1.619) 2.240 5.294 ( -5.910 -5.924 -3.962) 9.259 ======================= Grid point 280 (106/288) ======================= q-point: ( 0.50 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 3.931 5.618 -2.064) 7.160 2.050 ( -0.980 12.014 7.350) 14.118 2.122 ( 11.587 1.687 -9.263) 14.930 2.307 ( 2.440 5.216 -2.283) 6.194 2.593 ( -0.084 -5.932 4.526) 7.462 3.186 ( -0.116 9.101 1.934) 9.305 3.872 ( 1.627 2.271 2.621) 3.830 4.005 ( 1.605 0.280 -0.291) 1.655 4.213 ( -1.712 -0.014 -1.503) 2.278 4.480 ( 6.851 -4.260 -0.057) 8.067 4.747 ( -1.274 1.057 -1.387) 2.159 5.096 ( -8.552 -5.017 -2.523) 10.230 ======================= Grid point 281 (107/288) ======================= q-point: ( 0.57 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 5.384 6.631 1.884) 8.747 2.135 ( 0.232 6.147 1.888) 6.434 2.329 ( 5.297 5.972 -1.809) 8.185 2.384 ( 2.341 1.348 0.613) 2.770 2.585 ( 6.918 -4.123 0.684) 8.082 3.206 ( -4.485 4.033 -3.168) 6.813 3.920 ( 0.992 0.779 3.053) 3.303 4.046 ( 2.653 0.047 -0.235) 2.664 4.174 ( -3.416 1.796 -1.475) 4.132 4.563 ( 7.138 -3.542 -0.278) 7.973 4.734 ( -2.171 1.954 -1.209) 3.161 4.912 ( -6.332 -3.104 -0.413) 7.064 ======================= Grid point 282 (108/288) ======================= q-point: ( 0.64 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 1.383 5.332 2.654) 6.114 2.208 ( 1.461 4.616 0.371) 4.855 2.341 ( -3.143 -1.009 1.648) 3.689 2.426 ( 1.081 -0.895 0.051) 1.404 2.785 ( 12.104 4.942 -1.506) 13.160 3.126 ( -4.740 0.560 -3.433) 5.879 3.947 ( 1.043 -0.043 1.303) 1.669 4.063 ( -2.301 -0.070 0.589) 2.377 4.139 ( 0.076 0.138 -0.670) 0.688 4.646 ( 4.062 -0.635 -0.186) 4.115 4.690 ( -3.213 1.583 -1.178) 3.771 4.831 ( -0.923 -2.057 0.672) 2.352 ======================= Grid point 283 (109/288) ======================= q-point: (-0.29 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -4.588 1.443 1.577) 5.061 2.261 ( -1.849 1.228 0.095) 2.222 2.282 ( -1.156 0.884 1.072) 1.808 2.414 ( 0.577 -2.593 -0.343) 2.679 2.931 ( -6.133 8.656 -3.466) 11.160 3.137 ( 10.013 -2.603 0.789) 10.375 3.949 ( -3.291 1.033 -0.642) 3.508 4.010 ( 0.243 -1.882 1.730) 2.568 4.159 ( 1.951 -1.096 -0.160) 2.243 4.650 ( -2.948 5.693 -0.967) 6.483 4.714 ( 2.578 -1.102 0.236) 2.814 4.802 ( 0.631 -3.828 0.318) 3.892 ======================= Grid point 284 (110/288) ======================= q-point: (-0.21 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -7.072 -0.780 1.152) 7.207 2.181 ( -6.020 -0.261 0.468) 6.043 2.298 ( 0.632 -1.002 0.475) 1.277 2.409 ( -0.336 0.857 0.298) 0.967 2.847 ( -7.335 3.120 -0.859) 8.017 3.262 ( 4.282 -1.952 -1.992) 5.110 3.879 ( -4.029 0.673 1.200) 4.258 4.035 ( 1.967 -0.748 0.436) 2.149 4.178 ( 1.380 -0.310 -0.681) 1.570 4.667 ( -1.395 1.463 -0.438) 2.069 4.721 ( 1.368 -1.256 -0.270) 1.876 4.803 ( 2.456 0.049 0.393) 2.488 ======================= Grid point 285 (111/288) ======================= q-point: (-0.14 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -8.207 0.075 0.386) 8.217 2.056 ( -8.090 -0.030 0.028) 8.090 2.276 ( -0.319 -4.485 0.406) 4.515 2.408 ( -2.921 3.486 0.722) 4.605 2.770 ( -2.893 0.548 1.588) 3.345 3.223 ( -3.962 -2.934 -3.462) 6.025 3.845 ( -2.203 1.847 2.783) 4.001 4.033 ( -0.809 -1.900 -0.368) 2.097 4.207 ( 1.347 1.800 -1.373) 2.634 4.605 ( -0.460 -7.489 0.234) 7.507 4.744 ( 0.158 1.265 -0.887) 1.553 4.910 ( 6.585 4.560 -0.541) 8.027 ======================= Grid point 286 (112/288) ======================= q-point: (-0.07 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -10.855 2.773 -2.172) 11.412 1.895 ( -10.418 0.006 -2.876) 10.808 2.201 ( -2.624 -4.860 1.542) 5.734 2.369 ( -4.816 2.256 -1.701) 5.583 2.777 ( 1.572 0.303 3.644) 3.980 3.095 ( -7.210 0.332 1.522) 7.376 3.847 ( -1.282 2.664 2.701) 4.004 3.981 ( -2.173 -2.138 -0.825) 3.158 4.241 ( 1.446 0.741 -1.333) 2.102 4.530 ( 1.325 -8.521 0.780) 8.659 4.750 ( -0.129 0.938 -1.444) 1.726 5.081 ( 7.745 3.915 -2.793) 9.117 ======================= Grid point 293 (113/288) ======================= q-point: ( 0.43 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -0.000 2.495 -6.898) 7.335 1.814 ( -0.000 0.835 -11.691) 11.721 2.080 ( 0.000 8.329 6.078) 10.311 2.267 ( -0.000 6.839 -1.999) 7.126 2.618 ( 0.000 -5.159 6.428) 8.242 3.179 ( 0.000 14.266 7.045) 15.911 3.827 ( -0.000 2.805 -0.626) 2.874 3.996 ( 0.000 0.984 0.301) 1.029 4.196 ( 0.000 -6.154 1.350) 6.300 4.368 ( -0.000 0.419 -1.463) 1.522 4.774 ( -0.000 0.728 -1.705) 1.853 5.268 ( -0.000 -6.962 -3.581) 7.829 ======================= Grid point 294 (114/288) ======================= q-point: ( 0.50 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 2.446 3.101 -3.155) 5.055 1.877 ( 10.313 -2.086 -10.640) 14.964 2.177 ( 0.431 7.859 4.866) 9.253 2.335 ( 0.450 5.214 0.334) 5.244 2.571 ( -1.145 -4.962 4.960) 7.109 3.313 ( -1.632 10.412 3.011) 10.961 3.872 ( 1.911 2.579 0.692) 3.283 3.993 ( -0.705 -0.349 0.168) 0.804 4.187 ( 3.629 -2.385 0.386) 4.360 4.375 ( 1.140 -0.725 -1.358) 1.915 4.779 ( -0.842 2.643 -1.200) 3.023 5.146 ( -4.469 -6.688 -2.565) 8.443 ======================= Grid point 295 (115/288) ======================= q-point: ( 0.57 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 6.769 4.395 1.073) 8.141 2.033 ( 12.316 -2.022 -7.083) 14.350 2.300 ( 4.164 7.152 2.711) 8.708 2.375 ( 0.204 0.548 2.226) 2.301 2.520 ( -1.201 -2.619 2.404) 3.753 3.335 ( -5.040 5.421 -1.438) 7.541 3.930 ( 0.506 1.506 2.810) 3.228 3.988 ( 2.305 -1.129 -1.182) 2.826 4.239 ( 0.319 3.133 -1.037) 3.316 4.397 ( 5.322 -3.938 -0.246) 6.625 4.786 ( -1.757 3.099 -0.540) 3.603 4.987 ( -5.793 -4.528 -1.080) 7.431 ======================= Grid point 296 (116/288) ======================= q-point: ( 0.64 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 6.331 2.136 0.765) 6.725 2.187 ( 6.242 1.660 -1.644) 6.665 2.349 ( -0.981 -2.785 0.251) 2.963 2.451 ( -1.355 2.810 1.132) 3.318 2.558 ( 12.983 0.037 1.959) 13.130 3.258 ( -7.276 3.009 -2.396) 8.230 3.935 ( 0.106 -0.671 1.019) 1.224 4.038 ( 3.008 -0.148 -0.372) 3.034 4.217 ( -5.163 2.194 -0.672) 5.650 4.495 ( 8.834 -2.401 0.254) 9.158 4.764 ( -3.040 1.222 -0.524) 3.318 4.872 ( -3.995 -0.918 0.157) 4.102 ======================= Grid point 297 (117/288) ======================= q-point: (-0.29 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 1.407 -1.675 -0.634) 2.278 2.267 ( 1.883 0.209 -0.263) 1.913 2.302 ( -1.259 -0.887 -0.235) 1.558 2.414 ( -2.118 -0.258 -0.179) 2.141 2.854 ( 16.638 0.226 1.464) 16.704 3.144 ( -8.407 2.648 0.043) 8.814 3.944 ( 1.789 -0.783 -0.103) 1.956 4.050 ( -2.526 -0.407 -0.743) 2.665 4.148 ( -2.026 0.399 0.361) 2.096 4.627 ( 6.675 0.166 0.478) 6.694 4.725 ( -2.121 0.815 -0.321) 2.295 4.805 ( -3.165 -0.685 0.027) 3.238 ======================= Grid point 298 (118/288) ======================= q-point: (-0.21 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -3.497 -3.396 -0.716) 4.927 2.261 ( -3.454 -0.681 0.069) 3.521 2.266 ( 0.509 -3.068 -0.565) 3.160 2.421 ( 1.118 2.817 0.250) 3.041 2.984 ( -4.650 -4.999 1.962) 7.103 3.119 ( 6.561 2.613 -0.918) 7.122 3.962 ( -2.801 -1.713 0.564) 3.331 3.985 ( 0.867 1.396 -0.793) 1.825 4.158 ( 1.328 1.050 -0.158) 1.700 4.664 ( -2.993 -5.396 0.408) 6.184 4.712 ( 1.787 1.515 0.046) 2.344 4.796 ( 1.423 3.744 -0.256) 4.013 ======================= Grid point 299 (119/288) ======================= q-point: (-0.14 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -4.762 -1.117 0.062) 4.891 2.171 ( -5.342 -1.040 0.346) 5.454 2.236 ( -0.052 -4.048 -0.244) 4.056 2.470 ( 0.045 3.393 0.626) 3.450 2.838 ( -5.693 -4.611 3.334) 8.049 3.185 ( 1.754 -2.814 -4.319) 5.445 3.911 ( -2.320 1.038 1.988) 3.226 4.011 ( 0.894 -1.155 -0.798) 1.665 4.206 ( 1.636 3.041 -1.039) 3.606 4.536 ( -2.584 -9.076 0.344) 9.443 4.756 ( 0.921 2.538 -0.395) 2.729 4.882 ( 3.074 4.921 0.021) 5.802 ======================= Grid point 300 (120/288) ======================= q-point: (-0.07 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -6.763 2.703 -2.212) 7.611 2.050 ( -7.926 -0.558 -0.870) 7.993 2.183 ( -0.762 -4.943 1.673) 5.274 2.470 ( -3.774 2.245 -0.565) 4.427 2.756 ( 0.228 -3.258 4.513) 5.571 3.139 ( -0.947 -2.933 -2.512) 3.976 3.906 ( -1.213 2.107 2.735) 3.660 3.987 ( -1.227 -1.679 -1.204) 2.403 4.243 ( -0.488 1.823 -1.637) 2.498 4.419 ( 0.514 -9.233 0.334) 9.253 4.781 ( -1.180 2.949 -0.693) 3.251 5.003 ( 5.478 3.944 -0.987) 6.822 ======================= Grid point 308 (121/288) ======================= q-point: ( 0.50 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -0.000 1.657 -2.829) 3.279 1.730 ( -0.000 -1.478 -6.280) 6.452 2.240 ( 0.000 4.478 2.313) 5.040 2.375 ( 0.000 2.048 1.730) 2.681 2.554 ( 0.000 -2.489 2.937) 3.850 3.434 ( 0.000 7.606 1.722) 7.798 3.873 ( 0.000 1.828 -0.082) 1.830 4.013 ( -0.000 0.629 -0.093) 0.636 4.107 ( 0.000 -3.356 1.356) 3.620 4.372 ( -0.000 0.899 -1.660) 1.888 4.822 ( -0.000 4.662 -0.645) 4.707 5.104 ( -0.000 -7.435 -1.948) 7.686 ======================= Grid point 309 (122/288) ======================= q-point: ( 0.57 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 4.587 2.611 0.882) 5.351 1.788 ( 9.792 -0.545 -3.052) 10.271 2.294 ( 2.146 1.945 0.286) 2.911 2.382 ( -0.151 -1.174 2.495) 2.761 2.538 ( -1.203 -0.201 0.944) 1.543 3.457 ( -3.583 3.201 -1.376) 4.998 3.915 ( 2.848 1.001 0.222) 3.027 3.979 ( -2.463 -0.717 0.344) 2.589 4.164 ( 6.951 -0.425 0.465) 6.980 4.364 ( -1.382 0.432 -1.115) 1.827 4.858 ( -1.803 4.992 -0.079) 5.308 5.004 ( -2.560 -5.752 -0.751) 6.341 ======================= Grid point 310 (123/288) ======================= q-point: (-0.36 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 6.965 -1.204 -1.267) 7.181 2.028 ( 12.852 4.019 2.632) 13.721 2.332 ( 0.964 -1.674 -3.122) 3.671 2.397 ( 4.527 -1.670 3.956) 6.239 2.507 ( -2.214 -0.035 0.136) 2.219 3.388 ( -5.339 0.757 -1.819) 5.691 3.931 ( -0.678 -1.872 -1.319) 2.388 3.985 ( 2.901 0.977 1.051) 3.236 4.313 ( 5.359 4.007 -0.140) 6.693 4.320 ( 0.222 -3.267 0.128) 3.277 4.832 ( -3.764 -0.057 -0.311) 3.778 4.929 ( -3.096 0.652 0.562) 3.214 ======================= Grid point 311 (124/288) ======================= q-point: (-0.29 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 5.928 -3.764 -2.034) 7.311 2.209 ( 3.197 -1.531 0.270) 3.555 2.315 ( 0.516 1.420 -3.031) 3.387 2.435 ( -0.843 -3.262 0.041) 3.369 2.586 ( 12.968 0.209 4.204) 13.634 3.293 ( -5.808 0.249 1.158) 5.927 3.907 ( 0.682 -1.631 -1.838) 2.550 4.041 ( 2.184 0.491 -0.071) 2.240 4.227 ( -5.313 -1.160 0.416) 5.454 4.500 ( 9.027 2.627 0.664) 9.425 4.768 ( -2.642 -0.575 -0.056) 2.705 4.873 ( -4.788 0.905 0.275) 4.881 ======================= Grid point 312 (125/288) ======================= q-point: (-0.21 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 1.602 -6.359 -2.827) 7.141 2.195 ( 2.098 -5.324 -0.920) 5.796 2.314 ( -2.915 0.185 -1.253) 3.178 2.419 ( 1.717 0.778 -0.611) 1.981 2.819 ( 11.289 -3.446 1.963) 11.966 3.201 ( -5.659 0.426 4.263) 7.098 3.913 ( 2.244 -1.318 -2.182) 3.396 4.049 ( -2.347 0.339 -0.907) 2.539 4.158 ( -0.839 0.426 1.283) 1.591 4.655 ( 3.740 0.559 0.750) 3.855 4.710 ( -3.156 -0.851 0.915) 3.395 4.816 ( -0.982 2.158 -0.875) 2.528 ======================= Grid point 313 (126/288) ======================= q-point: (-0.14 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 0.693 -5.109 -0.638) 5.195 2.177 ( 1.698 -5.226 -0.706) 5.540 2.237 ( -4.015 -1.600 -0.625) 4.367 2.475 ( 2.578 1.741 -0.333) 3.128 2.853 ( -1.131 -6.727 0.274) 6.827 3.154 ( -1.456 -0.296 2.201) 2.656 3.928 ( 1.074 -0.863 -1.705) 2.192 4.005 ( -1.527 -0.075 0.409) 1.583 4.198 ( 2.283 2.469 0.695) 3.434 4.537 ( -6.499 -6.659 0.078) 9.305 4.752 ( 2.115 1.989 0.400) 2.931 4.882 ( 2.618 4.871 0.004) 5.529 ======================= Grid point 314 (127/288) ======================= q-point: (-0.07 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -0.246 -0.426 -0.000) 0.492 2.136 ( -1.876 -3.249 0.000) 3.752 2.147 ( -2.298 -3.981 -0.000) 4.597 2.518 ( 0.299 0.518 -0.000) 0.598 2.742 ( -2.574 -4.458 -0.000) 5.147 3.117 ( -1.429 -2.476 0.000) 2.859 3.933 ( 0.327 0.567 -0.000) 0.655 3.987 ( -0.577 -0.999 0.000) 1.153 4.264 ( 1.485 2.572 -0.000) 2.970 4.358 ( -4.663 -8.077 -0.000) 9.326 4.815 ( 1.787 3.096 -0.000) 3.575 4.967 ( 2.160 3.741 0.000) 4.319 ======================= Grid point 324 (128/288) ======================= q-point: (-0.43 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 0.000 1.475 1.607) 2.182 1.731 ( 0.000 3.129 2.981) 4.321 2.276 ( -0.000 -1.233 -1.523) 1.959 2.374 ( 0.000 -1.555 1.254) 1.997 2.549 ( 0.000 -0.424 0.273) 0.504 3.492 ( -0.000 -1.109 -3.890) 4.045 3.894 ( 0.000 0.089 0.375) 0.386 4.019 ( -0.000 0.005 -0.282) 0.282 4.076 ( 0.000 -0.514 1.027) 1.149 4.383 ( -0.000 0.826 -0.668) 1.062 4.915 ( -0.000 -0.707 -0.386) 0.805 4.987 ( 0.000 1.764 0.887) 1.974 ======================= Grid point 325 (129/288) ======================= q-point: (-0.36 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 2.897 -0.189 1.576) 3.304 1.893 ( 9.895 6.167 7.090) 13.646 2.256 ( 1.642 -4.640 -3.738) 6.181 2.363 ( 0.160 -1.226 0.802) 1.474 2.530 ( -1.085 -1.296 -0.179) 1.700 3.427 ( -2.040 -4.215 -4.509) 6.501 3.903 ( 0.802 -1.541 -0.749) 1.892 3.984 ( -1.179 0.469 0.664) 1.432 4.164 ( 7.343 0.082 0.494) 7.360 4.376 ( -1.535 0.969 -0.002) 1.815 4.858 ( -1.811 -4.151 -0.052) 4.529 5.025 ( -2.871 6.755 1.361) 7.465 ======================= Grid point 326 (130/288) ======================= q-point: (-0.29 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 4.464 -2.531 0.524) 5.158 2.139 ( 4.442 0.402 1.862) 4.834 2.231 ( 7.312 -3.757 -3.326) 8.869 2.371 ( 1.951 -1.735 3.141) 4.084 2.503 ( 0.367 -0.106 0.174) 0.419 3.335 ( -1.609 -5.342 -1.644) 5.816 3.878 ( -0.258 -2.003 -2.468) 3.189 4.007 ( 2.080 0.488 0.747) 2.264 4.256 ( 1.062 -2.653 0.815) 2.972 4.406 ( 4.815 4.429 0.563) 6.566 4.792 ( -1.832 -2.270 0.180) 2.923 5.008 ( -6.553 5.154 0.995) 8.396 ======================= Grid point 327 (131/288) ======================= q-point: (-0.21 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 2.814 -6.349 -2.229) 7.294 2.085 ( 1.867 -8.682 -2.534) 9.235 2.343 ( 2.421 1.516 -3.240) 4.320 2.368 ( 0.280 -3.981 1.842) 4.396 2.628 ( 9.775 1.997 4.527) 10.956 3.256 ( -1.426 -5.315 2.007) 5.858 3.858 ( 1.278 -1.424 -3.279) 3.796 4.047 ( 1.615 -0.251 -0.109) 1.638 4.202 ( -3.119 -0.989 1.401) 3.559 4.577 ( 7.201 3.443 1.042) 8.050 4.750 ( -1.549 -1.084 0.534) 1.964 4.918 ( -7.827 3.808 0.247) 8.708 ======================= Grid point 328 (132/288) ======================= q-point: (-0.14 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 3.043 -8.012 -1.664) 8.731 2.056 ( 4.080 -7.785 -0.025) 8.789 2.283 ( -3.687 -2.467 -1.152) 4.583 2.414 ( 4.335 -1.230 -0.603) 4.547 2.777 ( 4.166 -0.950 0.074) 4.274 3.190 ( -1.656 -3.799 3.528) 5.442 3.874 ( 2.680 -0.804 -3.389) 4.395 4.031 ( -1.703 -1.982 0.147) 2.617 4.192 ( 0.880 1.940 1.814) 2.798 4.606 ( -6.051 -3.918 0.064) 7.209 4.735 ( 1.228 0.713 1.265) 1.902 4.905 ( 0.656 7.093 0.418) 7.135 ======================= Grid point 339 (133/288) ======================= q-point: (-0.36 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 0.000 1.160 5.431) 5.553 1.876 ( 0.000 6.293 8.584) 10.644 2.172 ( -0.000 -6.970 -5.008) 8.583 2.350 ( -0.000 -1.504 0.089) 1.507 2.522 ( -0.000 -1.325 -1.038) 1.683 3.355 ( -0.000 -9.121 -6.586) 11.250 3.882 ( 0.000 -1.592 0.844) 1.802 4.009 ( -0.000 -0.742 -0.579) 0.942 4.095 ( 0.000 2.144 0.146) 2.149 4.395 ( 0.000 0.310 0.646) 0.717 4.832 ( 0.000 -3.638 0.448) 3.665 5.138 ( 0.000 8.344 1.494) 8.477 ======================= Grid point 340 (134/288) ======================= q-point: (-0.29 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -0.679 -0.261 5.154) 5.205 2.048 ( 7.935 -2.145 2.866) 8.705 2.074 ( 1.275 -5.467 -3.130) 6.428 2.344 ( 0.950 -1.093 3.466) 3.757 2.508 ( -0.454 1.021 -2.151) 2.424 3.235 ( 1.238 -11.989 -5.239) 13.142 3.861 ( -0.576 -2.151 -0.260) 2.242 3.990 ( 0.113 -0.172 -0.287) 0.354 4.184 ( 5.060 2.194 0.230) 5.521 4.400 ( 0.540 0.941 1.088) 1.536 4.796 ( -1.007 -1.847 0.565) 2.178 5.182 ( -4.846 7.587 1.183) 9.080 ======================= Grid point 341 (135/288) ======================= q-point: (-0.21 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -0.918 -5.434 -0.024) 5.511 1.935 ( 2.066 -12.229 -4.036) 13.043 2.217 ( 7.583 -3.379 0.532) 8.318 2.368 ( -0.336 -1.192 3.466) 3.681 2.562 ( 4.104 5.865 2.546) 7.597 3.142 ( 3.783 -12.475 -2.671) 13.307 3.827 ( -0.311 -1.597 -1.940) 2.532 4.008 ( 1.940 -0.775 -0.157) 2.095 4.238 ( -0.931 0.491 1.175) 1.578 4.492 ( 6.713 3.610 1.078) 7.698 4.766 ( -1.326 -0.479 0.606) 1.534 5.129 ( -9.172 6.231 0.848) 11.121 ======================= Grid point 342 (136/288) ======================= q-point: (-0.14 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 1.559 -10.846 -3.133) 11.396 1.892 ( 4.711 -9.250 1.419) 10.478 2.274 ( 2.887 -6.007 1.613) 6.857 2.334 ( -0.004 -1.013 -1.262) 1.618 2.717 ( 4.557 4.002 2.183) 6.446 3.099 ( 4.985 -10.083 -1.355) 11.329 3.818 ( 1.471 -0.663 -2.702) 3.147 4.016 ( 0.488 -2.538 -0.100) 2.586 4.223 ( -1.371 1.935 1.603) 2.862 4.622 ( 2.148 0.543 0.180) 2.223 4.743 ( -1.168 0.103 1.117) 1.620 5.040 ( -6.966 7.528 1.590) 10.379 ======================= Grid point 354 (137/288) ======================= q-point: (-0.29 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 0.000 -1.864 7.364) 7.597 1.954 ( -0.000 -9.129 -7.259) 11.663 1.955 ( 0.000 -5.511 1.362) 5.677 2.351 ( 0.000 0.886 8.483) 8.529 2.527 ( -0.000 4.010 -3.196) 5.128 3.052 ( -0.000 -16.964 -6.132) 18.039 3.845 ( 0.000 -2.555 1.328) 2.880 3.983 ( -0.000 -1.258 -1.112) 1.679 4.177 ( 0.000 6.390 -0.363) 6.400 4.399 ( 0.000 -0.693 1.508) 1.660 4.795 ( 0.000 -0.353 0.555) 0.657 5.310 ( 0.000 7.911 0.817) 7.953 ======================= Grid point 355 (138/288) ======================= q-point: (-0.21 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -5.663 -13.214 -7.778) 16.346 1.768 ( 1.196 -7.984 3.385) 8.754 2.032 ( 8.713 -4.874 0.745) 10.012 2.381 ( -0.582 -0.752 5.660) 5.739 2.591 ( 1.517 6.743 3.225) 7.627 2.891 ( 4.574 -17.807 -6.083) 19.366 3.817 ( -0.657 -2.256 0.482) 2.399 3.971 ( 0.803 -1.174 -1.050) 1.768 4.264 ( 0.667 4.598 0.592) 4.684 4.428 ( 4.099 1.820 1.491) 4.726 4.791 ( -1.034 0.996 0.349) 1.478 5.336 ( -5.933 7.086 0.399) 9.251 ======================= Grid point 356 (139/288) ======================= q-point: (-0.14 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -1.275 -15.814 -7.221) 17.432 1.729 ( 3.609 -10.016 3.204) 11.118 2.128 ( 6.776 -4.788 2.819) 8.763 2.344 ( -2.137 -2.342 0.501) 3.210 2.690 ( 4.472 -3.560 6.286) 8.497 2.846 ( 7.517 -7.013 -7.216) 12.560 3.792 ( 0.123 -1.070 -0.801) 1.343 3.975 ( 1.244 -2.040 -0.536) 2.449 4.275 ( -1.573 1.503 1.188) 2.479 4.573 ( 5.552 4.291 0.859) 7.070 4.780 ( -1.836 1.573 0.393) 2.449 5.266 ( -9.108 6.747 1.181) 11.396 ======================= Grid point 369 (140/288) ======================= q-point: (-0.21 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -0.000 -15.929 -6.932) 17.372 1.698 ( -0.000 -16.149 -5.787) 17.155 1.917 ( 0.000 1.234 5.858) 5.986 2.388 ( 0.000 -2.310 2.637) 3.505 2.565 ( 0.000 -20.692 5.462) 21.401 2.727 ( -0.000 6.627 -3.773) 7.626 3.801 ( 0.000 -2.624 1.612) 3.080 3.949 ( -0.000 -1.201 -1.598) 1.999 4.307 ( 0.000 1.735 0.836) 1.925 4.419 ( 0.000 5.837 2.043) 6.184 4.819 ( -0.000 2.395 -0.256) 2.409 5.461 ( 0.000 6.862 -0.492) 6.880 ======================= Grid point 370 (141/288) ======================= q-point: (-0.14 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -3.964 -18.597 -9.872) 21.425 1.553 ( 3.851 -15.110 -1.603) 15.675 1.999 ( 5.119 -0.657 5.424) 7.487 2.341 ( 0.599 -7.919 -0.509) 7.958 2.391 ( 5.467 -21.364 0.744) 22.065 2.835 ( 0.831 9.755 1.852) 9.964 3.779 ( -0.144 -1.895 0.928) 2.114 3.938 ( 0.618 -1.271 -1.276) 1.904 4.292 ( -0.142 -2.750 1.113) 2.970 4.558 ( 3.859 9.702 2.646) 10.772 4.834 ( -1.386 3.199 -0.768) 3.570 5.469 ( -5.966 6.137 -0.537) 8.576 ======================= Grid point 384 (142/288) ======================= q-point: (-0.14 -0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -0.000 -17.967 -9.179) 20.176 1.289 ( -0.000 -19.538 -8.500) 21.307 1.979 ( 0.000 1.080 6.124) 6.218 2.021 ( -0.000 -30.210 1.948) 30.273 2.322 ( -0.000 -4.932 -1.657) 5.202 2.940 ( 0.000 9.446 4.357) 10.403 3.763 ( 0.000 -2.024 1.501) 2.520 3.919 ( -0.000 -0.643 -1.656) 1.777 4.244 ( 0.000 -6.112 1.501) 6.293 4.651 ( 0.000 12.045 5.022) 13.050 4.881 ( -0.000 4.333 -2.004) 4.774 5.578 ( -0.000 5.497 -2.213) 5.926 ======================= Grid point 431 (143/288) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 0.000 -0.000 19.930) 19.930 0.374 ( 0.000 -0.000 19.930) 19.930 0.636 ( 0.000 -0.000 34.295) 34.295 2.004 ( -0.000 0.000 -4.170) 4.170 2.004 ( -0.000 0.000 -4.170) 4.170 3.674 ( -0.000 0.000 -13.551) 13.551 3.710 ( -0.000 0.000 -0.750) 0.750 3.710 ( -0.000 0.000 -0.750) 0.750 3.920 ( 0.000 -0.000 1.217) 1.217 3.920 ( 0.000 -0.000 1.217) 1.217 5.097 ( 0.000 -0.000 6.749) 6.749 5.922 ( -0.000 0.000 -1.094) 1.094 ======================= Grid point 432 (144/288) ======================= q-point: ( 0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 6.552 3.783 13.299) 15.300 0.548 ( 5.496 3.173 19.202) 20.223 1.065 ( 22.483 12.980 19.513) 32.477 2.002 ( 2.392 1.381 -5.330) 6.003 2.029 ( 1.637 0.945 -3.130) 3.656 3.220 ( -6.504 -3.755 -3.678) 8.363 3.718 ( 0.589 0.340 -0.837) 1.078 3.915 ( -0.436 -0.252 1.253) 1.351 3.988 ( 5.928 3.423 0.906) 6.905 4.584 ( 22.020 12.713 -28.637) 38.296 5.123 ( 0.085 0.049 5.399) 5.400 5.748 ( -11.291 -6.519 1.813) 13.163 ======================= Grid point 433 (145/288) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 11.956 6.903 5.524) 14.869 0.773 ( 9.714 5.608 9.609) 14.770 1.619 ( 19.941 11.513 3.581) 23.303 2.061 ( 1.760 1.016 -1.872) 2.762 2.101 ( 7.846 4.530 0.750) 9.091 3.123 ( -1.642 -0.948 -3.888) 4.326 3.733 ( 1.081 0.624 -1.233) 1.755 3.910 ( -0.239 -0.138 1.444) 1.471 4.145 ( 6.396 3.693 1.299) 7.499 4.775 ( 3.782 2.184 -11.506) 12.307 5.095 ( -4.775 -2.757 5.385) 7.707 5.483 ( -10.219 -5.900 -4.941) 12.793 ======================= Grid point 434 (146/288) ======================= q-point: ( 0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 13.247 7.648 1.203) 15.343 1.040 ( 11.529 6.656 1.152) 13.363 1.940 ( 9.811 5.665 -10.251) 15.279 2.098 ( 1.692 0.977 -0.368) 1.988 2.411 ( 15.394 8.888 10.376) 20.582 3.108 ( 0.716 0.413 0.371) 0.906 3.763 ( 1.873 1.081 -1.626) 2.706 3.915 ( 0.224 0.130 1.577) 1.598 4.262 ( 3.150 1.819 -0.391) 3.658 4.775 ( -1.581 -0.913 -2.085) 2.771 4.911 ( -11.906 -6.874 6.230) 15.094 5.288 ( -4.171 -2.408 -10.322) 11.391 ======================= Grid point 435 (147/288) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 12.385 7.150 -1.642) 14.395 1.309 ( 11.869 6.853 -3.881) 14.245 2.107 ( 7.750 4.475 -7.107) 11.428 2.135 ( 1.369 0.790 1.383) 2.100 2.747 ( 9.566 5.523 5.316) 12.259 3.153 ( 2.111 1.219 5.717) 6.215 3.810 ( 2.593 1.497 -1.787) 3.487 3.930 ( 0.686 0.396 1.546) 1.737 4.284 ( -0.871 -0.503 -1.634) 1.919 4.605 ( -11.928 -6.887 4.223) 14.406 4.747 ( -1.981 -1.144 -2.573) 3.442 5.206 ( -1.431 -0.826 -6.160) 6.378 ======================= Grid point 436 (148/288) ======================= q-point: ( 0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 10.054 5.805 -3.794) 12.214 1.563 ( 11.196 6.464 -5.968) 14.239 2.166 ( 0.552 0.319 3.249) 3.311 2.269 ( 7.307 4.219 -2.960) 8.941 2.853 ( -0.789 -0.456 0.957) 1.321 3.210 ( 0.070 0.040 7.642) 7.643 3.867 ( 2.612 1.508 -1.756) 3.490 3.954 ( 0.890 0.514 1.449) 1.776 4.227 ( -3.125 -1.804 -0.229) 3.616 4.400 ( -5.643 -3.258 -0.156) 6.518 4.732 ( 1.578 0.911 -1.771) 2.541 5.158 ( -1.950 -1.126 -2.615) 3.451 ======================= Grid point 437 (149/288) ======================= q-point: ( 0.57 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 7.134 4.119 -5.292) 9.791 1.785 ( 9.282 5.359 -6.661) 12.619 2.173 ( -1.209 -0.698 4.868) 5.064 2.411 ( 4.864 2.808 -1.281) 5.761 2.759 ( -5.858 -3.382 -2.633) 7.258 3.197 ( -2.668 -1.540 9.426) 9.917 3.914 ( 1.671 0.965 -1.634) 2.529 3.977 ( 0.659 0.380 1.363) 1.561 4.168 ( -1.625 -0.938 -0.524) 1.948 4.325 ( -1.287 -0.743 -0.016) 1.486 4.810 ( 4.932 2.848 -0.604) 5.727 5.090 ( -3.303 -1.907 -1.496) 4.097 ======================= Grid point 438 (150/288) ======================= q-point: (-0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 4.536 2.619 -5.928) 7.910 1.939 ( 5.120 2.956 -5.062) 7.783 2.129 ( -4.170 -2.408 5.796) 7.535 2.467 ( 0.747 0.431 -2.133) 2.301 2.624 ( -4.131 -2.385 -5.071) 6.961 3.173 ( -1.846 -1.066 10.622) 10.833 3.931 ( 0.247 0.143 -1.513) 1.539 3.988 ( -0.101 -0.058 1.339) 1.344 4.140 ( -0.711 -0.410 -1.645) 1.839 4.329 ( 1.198 0.692 1.667) 2.167 4.898 ( 0.071 0.041 0.301) 0.312 5.038 ( 1.582 0.913 -1.083) 2.123 ======================= Grid point 439 (151/288) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 2.214 1.278 -4.698) 5.349 1.978 ( -1.454 -0.839 1.863) 2.507 2.009 ( -7.447 -4.300 4.912) 9.903 2.477 ( -0.406 -0.234 0.034) 0.470 2.535 ( 0.005 0.003 -10.055) 10.055 3.150 ( -3.607 -2.083 6.741) 7.924 3.916 ( -1.132 -0.654 -1.530) 2.013 3.980 ( -0.950 -0.549 1.476) 1.839 4.128 ( 0.578 0.334 -1.963) 2.073 4.377 ( 2.048 1.183 1.824) 2.987 4.835 ( -3.169 -1.830 0.296) 3.671 5.147 ( 5.937 3.427 0.850) 6.907 ======================= Grid point 440 (152/288) ======================= q-point: (-0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -11.701 -6.755 7.753) 15.577 1.877 ( -8.753 -5.053 8.073) 12.935 1.962 ( 1.709 0.986 -7.079) 7.349 2.423 ( -2.458 -1.419 3.356) 4.395 2.607 ( 6.845 3.952 -12.157) 14.501 2.986 ( -12.093 -6.982 0.323) 13.967 3.873 ( -2.097 -1.211 -1.557) 2.879 3.957 ( -1.292 -0.746 1.604) 2.191 4.186 ( 5.184 2.993 -1.245) 6.114 4.415 ( 0.721 0.416 -0.150) 0.846 4.793 ( -0.478 -0.276 0.818) 0.987 5.294 ( 6.127 3.537 2.604) 7.538 ======================= Grid point 441 (153/288) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -14.404 -8.316 8.023) 18.466 1.629 ( -14.296 -8.254 9.125) 18.861 1.974 ( 1.185 0.684 -6.527) 6.669 2.386 ( -2.260 -1.305 2.933) 3.926 2.583 ( -20.515 -11.844 0.500) 23.694 2.765 ( 8.004 4.621 -10.853) 14.255 3.816 ( -2.276 -1.314 -1.550) 3.051 3.934 ( -1.080 -0.624 1.658) 2.075 4.312 ( 1.942 1.121 -0.301) 2.263 4.444 ( 5.530 3.193 -3.252) 7.166 4.813 ( 1.842 1.063 0.912) 2.314 5.444 ( 5.881 3.395 3.290) 7.546 ======================= Grid point 446 (154/288) ======================= q-point: ( 0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 0.000 15.528 10.548) 18.772 0.704 ( 0.000 13.228 15.616) 20.465 1.046 ( 0.000 17.693 24.668) 30.357 1.938 ( -0.000 -1.709 -6.284) 6.512 2.057 ( -0.000 5.580 -3.944) 6.833 3.206 ( -0.000 -9.297 -4.276) 10.233 3.702 ( -0.000 0.088 -0.972) 0.976 3.933 ( 0.000 0.161 1.462) 1.470 3.943 ( -0.000 5.400 -0.961) 5.485 4.495 ( -0.000 23.852 -24.085) 33.897 5.139 ( 0.000 -0.778 6.085) 6.134 5.789 ( -0.000 -8.512 0.087) 8.512 ======================= Grid point 447 (155/288) ======================= q-point: ( 0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -0.247 19.384 5.404) 20.125 0.832 ( -1.289 12.643 16.296) 20.666 1.466 ( 14.595 16.861 9.297) 24.161 1.961 ( 6.371 -0.130 -3.255) 7.155 2.107 ( 0.388 6.214 -3.025) 6.922 3.102 ( -0.835 -4.460 -5.155) 6.868 3.720 ( 1.337 0.562 -0.800) 1.657 3.914 ( -0.838 0.080 0.663) 1.072 4.081 ( 6.107 5.004 0.992) 7.957 4.664 ( 6.340 5.711 -14.960) 17.223 5.122 ( -1.507 -4.281 5.259) 6.947 5.611 ( -9.904 -5.909 -2.615) 11.826 ======================= Grid point 448 (156/288) ======================= q-point: ( 0.36 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 1.738 14.593 11.236) 18.499 1.042 ( 4.352 15.951 1.018) 16.565 1.799 ( 9.467 7.729 -8.680) 14.990 2.098 ( 2.578 4.673 -3.006) 6.125 2.273 ( 13.027 8.629 9.337) 18.202 3.065 ( 1.962 -2.633 -2.269) 3.991 3.750 ( 1.195 1.628 -0.807) 2.175 3.911 ( 0.270 -0.053 0.755) 0.803 4.219 ( 4.147 2.792 0.290) 5.008 4.738 ( 3.285 -0.801 -5.685) 6.615 5.018 ( -5.698 -8.206 6.163) 11.738 5.361 ( -10.540 -2.583 -7.756) 13.338 ======================= Grid point 449 (157/288) ======================= q-point: ( 0.43 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 5.395 11.246 6.470) 14.051 1.291 ( 6.183 15.691 -3.482) 17.221 1.984 ( 8.372 5.110 -7.174) 12.152 2.154 ( 0.603 4.476 -2.527) 5.176 2.633 ( 12.431 7.115 6.663) 15.797 3.101 ( 4.499 -1.595 2.458) 5.369 3.793 ( 1.616 2.544 -0.861) 3.135 3.924 ( 0.648 0.362 1.049) 1.285 4.272 ( 0.852 -0.387 -1.491) 1.760 4.733 ( -1.638 -2.620 0.608) 3.149 4.797 ( -10.844 -5.958 1.981) 12.531 5.193 ( -2.960 -2.404 -7.107) 8.065 ======================= Grid point 450 (158/288) ======================= q-point: ( 0.50 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 7.195 8.818 1.532) 11.483 1.541 ( 6.256 14.143 -4.374) 16.071 2.149 ( 5.360 3.537 -0.974) 6.496 2.214 ( 2.662 5.470 -2.075) 6.427 2.828 ( 3.998 0.402 1.086) 4.162 3.186 ( 4.161 -1.234 5.320) 6.866 3.850 ( 1.857 3.132 -0.917) 3.754 3.945 ( 0.711 0.497 1.548) 1.775 4.247 ( -1.178 -2.006 -1.557) 2.799 4.531 ( -11.482 -1.801 0.991) 11.665 4.716 ( -0.016 -0.488 -1.917) 1.978 5.135 ( 0.414 -3.769 -2.752) 4.685 ======================= Grid point 451 (159/288) ======================= q-point: ( 0.57 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 6.780 6.303 -1.474) 9.374 1.760 ( 5.030 12.585 -5.314) 14.557 2.208 ( -0.475 1.879 3.129) 3.681 2.354 ( 5.609 5.175 -1.525) 7.782 2.805 ( -3.812 -3.586 -2.300) 5.717 3.224 ( 0.697 -2.547 6.598) 7.107 3.906 ( 0.999 3.057 -1.189) 3.429 3.965 ( 0.818 -0.193 1.743) 1.935 4.206 ( -1.372 0.129 -0.969) 1.685 4.375 ( -6.006 0.572 -0.269) 6.039 4.750 ( 3.807 1.435 -0.850) 4.156 5.089 ( -0.608 -4.468 -1.191) 4.664 ======================= Grid point 452 (160/288) ======================= q-point: ( 0.64 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 4.738 3.508 -3.767) 6.996 1.934 ( 3.165 10.688 -5.557) 12.455 2.200 ( -3.257 0.121 4.826) 5.823 2.461 ( 1.784 2.987 -1.466) 3.775 2.659 ( -5.459 -3.783 -5.110) 8.380 3.225 ( -0.777 -1.242 9.597) 9.708 3.928 ( -0.309 0.784 -1.154) 1.429 3.981 ( 0.777 -0.206 0.906) 1.211 4.199 ( -2.259 4.479 -1.074) 5.130 4.320 ( -0.605 -0.430 0.969) 1.221 4.848 ( 5.023 0.523 0.137) 5.052 5.022 ( -1.042 -3.473 -1.284) 3.847 ======================= Grid point 453 (161/288) ======================= q-point: (-0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 2.655 0.080 -4.403) 5.142 2.045 ( 0.091 8.018 -2.732) 8.471 2.119 ( -6.719 -2.262 5.503) 8.975 2.478 ( -0.572 3.216 -5.003) 5.975 2.543 ( -2.982 -3.024 -3.645) 5.597 3.224 ( -2.653 0.117 8.973) 9.358 3.910 ( -0.645 -1.843 -1.257) 2.322 3.988 ( -0.345 0.194 0.596) 0.716 4.193 ( -3.819 5.821 -1.371) 7.096 4.348 ( 2.886 0.161 1.821) 3.416 4.856 ( -1.778 -3.358 0.140) 3.802 5.052 ( 6.358 0.151 -0.397) 6.372 ======================= Grid point 454 (162/288) ======================= q-point: (-0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -0.315 -5.491 0.130) 5.501 1.956 ( -9.459 -3.403 3.281) 10.575 2.079 ( -4.359 6.255 1.676) 7.806 2.455 ( -2.691 -2.711 -0.356) 3.836 2.523 ( 3.474 5.490 -9.821) 11.775 3.141 ( -9.533 -2.240 4.553) 10.799 3.868 ( -0.701 -2.924 -1.106) 3.204 3.979 ( -1.224 0.355 0.992) 1.615 4.196 ( -1.048 5.451 -1.071) 5.653 4.407 ( 1.704 1.835 0.386) 2.533 4.798 ( -1.080 -1.814 0.318) 2.135 5.183 ( 8.357 -0.681 1.074) 8.453 ======================= Grid point 455 (163/288) ======================= q-point: (-0.14 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -11.394 -11.304 9.072) 18.436 1.791 ( -7.819 -3.534 -0.497) 8.595 2.039 ( -6.181 5.876 -1.286) 8.625 2.402 ( -1.056 -2.344 0.723) 2.670 2.649 ( 7.102 6.043 -8.387) 12.542 2.853 ( -19.316 -5.802 1.620) 20.233 3.823 ( -1.118 -2.320 -0.922) 2.735 3.960 ( -1.673 0.314 1.334) 2.163 4.269 ( 3.627 3.138 -0.569) 4.830 4.443 ( -0.053 4.567 -1.773) 4.899 4.791 ( 1.253 -0.335 0.376) 1.350 5.330 ( 8.962 -1.357 1.719) 9.226 ======================= Grid point 461 (164/288) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 0.000 19.550 4.466) 20.053 1.064 ( 0.000 14.385 10.188) 17.627 1.576 ( 0.000 22.700 12.531) 25.929 1.869 ( -0.000 -1.126 -6.135) 6.238 2.157 ( -0.000 6.202 -3.794) 7.271 3.042 ( -0.000 -5.096 -3.834) 6.378 3.704 ( -0.000 0.813 -1.106) 1.372 3.945 ( 0.000 0.225 1.389) 1.407 4.075 ( 0.000 7.277 -0.347) 7.285 4.620 ( -0.000 2.986 -10.226) 10.654 5.095 ( 0.000 -7.260 5.115) 8.881 5.632 ( -0.000 -5.570 -4.556) 7.196 ======================= Grid point 462 (165/288) ======================= q-point: ( 0.36 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -0.153 18.247 -0.475) 18.254 1.215 ( -2.611 15.761 12.390) 20.217 1.761 ( 0.892 9.334 -6.677) 11.511 2.031 ( 10.834 8.703 -1.743) 14.006 2.234 ( 3.828 7.798 3.900) 9.522 2.997 ( 1.108 -3.692 -0.762) 3.929 3.732 ( 1.978 1.148 -0.539) 2.350 3.930 ( -1.571 1.167 0.313) 1.982 4.185 ( 3.571 4.556 0.034) 5.789 4.639 ( 3.742 -1.810 -4.711) 6.283 5.006 ( -2.075 -9.417 4.175) 10.508 5.489 ( -8.234 -3.646 -6.434) 11.068 ======================= Grid point 463 (166/288) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -0.733 13.757 2.267) 13.962 1.388 ( 0.683 17.619 5.596) 18.499 1.891 ( 6.820 7.637 -6.871) 12.331 2.163 ( 2.317 4.333 -8.235) 9.590 2.523 ( 11.121 9.481 7.358) 16.361 3.010 ( 3.743 -2.290 3.147) 5.399 3.784 ( 2.135 1.770 0.499) 2.818 3.931 ( -0.133 1.939 -0.337) 1.972 4.250 ( 0.893 0.511 -1.151) 1.544 4.675 ( 3.993 -3.532 -0.585) 5.363 4.869 ( -4.322 -8.285 2.828) 9.763 5.269 ( -10.007 -2.455 -6.985) 12.448 ======================= Grid point 464 (167/288) ======================= q-point: ( 0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 1.596 11.917 3.204) 12.443 1.605 ( 2.786 16.339 1.451) 16.638 2.083 ( 7.184 7.563 -3.154) 10.897 2.222 ( 2.208 4.375 -5.009) 7.008 2.741 ( 6.270 0.822 0.764) 6.369 3.100 ( 5.426 -0.228 4.736) 7.206 3.845 ( 2.176 2.369 1.283) 3.463 3.957 ( 0.255 2.612 0.081) 2.625 4.232 ( -0.783 -2.361 -1.744) 3.038 4.681 ( -1.673 -3.331 2.185) 4.320 4.716 ( -5.243 -1.833 -2.158) 5.959 5.094 ( -3.540 -4.185 -3.783) 6.660 ======================= Grid point 465 (168/288) ======================= q-point: ( 0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 2.455 10.409 3.266) 11.183 1.812 ( 3.150 14.312 -1.432) 14.725 2.233 ( 2.299 4.457 0.358) 5.028 2.316 ( 4.493 5.911 -2.362) 7.792 2.790 ( 1.291 -3.192 -2.019) 3.992 3.171 ( 2.846 -2.422 2.711) 4.617 3.912 ( 2.075 2.516 1.168) 3.464 3.980 ( -1.051 2.164 0.885) 2.564 4.194 ( 0.407 -2.115 -1.463) 2.604 4.537 ( -9.416 1.947 -0.674) 9.638 4.707 ( 1.997 0.318 -1.005) 2.258 5.023 ( 0.991 -6.063 -0.776) 6.192 ======================= Grid point 466 (169/288) ======================= q-point: ( 0.64 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 1.026 7.897 1.359) 8.078 1.989 ( 2.442 12.041 -3.084) 12.668 2.268 ( -1.971 1.703 3.255) 4.169 2.444 ( 3.869 4.215 -1.281) 5.863 2.710 ( -5.264 -2.350 -5.780) 8.163 3.205 ( 3.418 -2.499 5.011) 6.561 3.961 ( -2.396 0.135 0.308) 2.420 3.968 ( 1.349 1.979 0.529) 2.452 4.212 ( 2.919 0.360 -0.175) 2.946 4.417 ( -7.575 3.874 -0.671) 8.535 4.767 ( 4.218 0.214 -0.028) 4.223 4.978 ( 0.677 -5.498 -0.610) 5.573 ======================= Grid point 467 (170/288) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -1.045 4.240 -1.031) 4.487 2.114 ( 0.737 8.760 -2.418) 9.118 2.223 ( -4.881 -0.846 4.609) 6.766 2.511 ( 0.971 0.604 -0.504) 1.250 2.574 ( -6.068 2.028 -8.141) 10.355 3.264 ( 1.903 0.035 6.809) 7.070 3.912 ( -2.174 -1.576 -0.460) 2.724 4.001 ( 0.218 1.585 0.216) 1.615 4.286 ( 4.260 -0.764 1.338) 4.531 4.343 ( -5.940 6.847 -1.007) 9.120 4.820 ( 2.101 -3.017 0.377) 3.695 4.954 ( 2.876 -2.777 -0.922) 4.103 ======================= Grid point 468 (171/288) ======================= q-point: (-0.21 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -2.530 -0.417 -0.959) 2.738 2.094 ( -7.828 -2.599 3.710) 9.044 2.196 ( -1.377 6.518 1.570) 6.845 2.460 ( -2.291 -3.171 -2.900) 4.869 2.548 ( -1.609 7.166 -6.683) 9.930 3.273 ( -4.260 0.126 4.920) 6.509 3.856 ( -1.619 -2.413 -0.234) 2.915 4.011 ( -0.854 1.627 0.272) 1.858 4.266 ( -2.126 -0.675 -0.148) 2.235 4.412 ( 1.649 7.668 -0.174) 7.845 4.793 ( -0.667 -2.666 0.124) 2.751 5.018 ( 7.474 -3.560 -0.079) 8.279 ======================= Grid point 469 (172/288) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -6.202 -6.187 3.405) 9.399 1.916 ( -9.724 -1.664 0.422) 9.875 2.210 ( -5.432 5.178 1.615) 7.676 2.388 ( -1.037 -3.235 -1.072) 3.562 2.606 ( 2.523 7.206 -6.566) 10.070 3.118 ( -13.704 -1.970 2.460) 14.062 3.815 ( -0.776 -1.737 0.750) 2.045 4.004 ( -1.893 1.318 0.561) 2.374 4.247 ( 0.942 -0.305 -0.784) 1.263 4.502 ( -0.081 7.671 -1.156) 7.758 4.769 ( 0.348 -1.241 -0.101) 1.293 5.131 ( 10.054 -4.638 0.350) 11.078 ======================= Grid point 476 (173/288) ======================= q-point: ( 0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.000 12.770 1.827) 12.900 1.387 ( 0.000 18.035 0.448) 18.041 1.839 ( -0.000 1.246 -1.146) 1.693 2.015 ( -0.000 14.919 -9.442) 17.656 2.302 ( 0.000 11.144 7.822) 13.615 2.957 ( 0.000 -2.949 3.192) 4.346 3.724 ( -0.000 1.877 -1.044) 2.148 3.960 ( 0.000 0.519 1.000) 1.127 4.203 ( -0.000 5.327 -0.853) 5.395 4.562 ( -0.000 -4.759 -1.028) 4.868 4.937 ( 0.000 -9.203 1.957) 9.408 5.502 ( -0.000 -4.191 -6.824) 8.009 ======================= Grid point 477 (174/288) ======================= q-point: ( 0.43 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -1.297 11.111 -6.075) 12.730 1.589 ( 1.457 15.249 5.678) 16.337 1.873 ( 1.965 6.845 -1.120) 7.209 2.115 ( 3.176 4.765 -13.194) 14.383 2.517 ( 4.819 12.736 8.628) 16.120 2.963 ( 1.540 -0.780 6.897) 7.109 3.763 ( 2.080 2.172 -0.223) 3.016 3.959 ( -0.755 1.454 0.183) 1.649 4.249 ( 0.198 1.979 -1.460) 2.467 4.544 ( 4.445 -6.553 1.863) 8.134 4.843 ( -1.609 -6.801 -0.026) 6.988 5.376 ( -6.886 -3.848 -6.586) 10.276 ======================= Grid point 478 (175/288) ======================= q-point: ( 0.50 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 2.156 9.238 -4.179) 10.366 1.781 ( -0.157 15.962 9.024) 18.337 2.025 ( 7.287 6.951 -4.374) 10.980 2.182 ( 3.776 4.405 -9.119) 10.808 2.672 ( 2.468 1.145 3.165) 4.174 3.052 ( 3.587 3.974 6.554) 8.463 3.831 ( 2.599 2.361 1.530) 3.831 3.976 ( 0.529 2.345 -0.420) 2.440 4.230 ( -1.776 -1.405 -1.649) 2.802 4.585 ( 5.933 -5.707 1.881) 8.445 4.755 ( -2.323 -2.979 -1.178) 3.957 5.173 ( -9.306 -3.491 -4.901) 11.082 ======================= Grid point 479 (176/288) ======================= q-point: ( 0.57 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 4.168 9.552 0.447) 10.431 1.945 ( -1.013 13.699 6.401) 15.154 2.208 ( 6.980 5.456 -3.781) 9.632 2.289 ( 4.396 6.097 -4.078) 8.551 2.696 ( 3.103 -4.708 0.887) 5.708 3.138 ( 0.499 1.741 1.038) 2.088 3.902 ( 2.069 1.970 2.528) 3.815 4.017 ( 0.900 2.775 -0.070) 2.918 4.172 ( -1.670 -1.976 -1.600) 3.042 4.628 ( 3.000 -3.013 0.863) 4.338 4.695 ( -2.744 0.976 -2.132) 3.609 4.988 ( -5.243 -4.434 -1.652) 7.062 ======================= Grid point 480 (177/288) ======================= q-point: ( 0.64 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 1.614 8.948 2.876) 9.536 2.070 ( 0.603 10.027 1.554) 10.164 2.318 ( 0.201 3.458 1.109) 3.637 2.409 ( 3.971 3.672 -1.394) 5.585 2.717 ( 2.595 -0.699 -3.809) 4.662 3.131 ( 0.776 -1.998 -0.218) 2.154 3.951 ( 1.275 0.381 1.597) 2.079 4.035 ( -2.605 2.651 0.299) 3.728 4.152 ( 2.314 -1.365 -0.644) 2.762 4.591 ( -6.582 3.676 -1.070) 7.614 4.703 ( 3.179 -0.730 -0.391) 3.285 4.902 ( 0.565 -5.084 0.108) 5.117 ======================= Grid point 481 (178/288) ======================= q-point: ( 0.71 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -2.742 6.295 2.325) 7.249 2.175 ( 1.073 7.027 -0.553) 7.130 2.299 ( -3.708 -0.767 3.100) 4.893 2.470 ( 1.956 -1.816 -0.588) 2.733 2.716 ( -5.117 8.346 -7.439) 12.295 3.185 ( 6.999 -2.001 2.777) 7.792 3.946 ( -2.306 -0.697 -0.081) 2.410 4.018 ( -0.781 1.546 1.007) 2.004 4.199 ( 4.062 -1.974 0.565) 4.551 4.518 ( -6.365 6.407 -1.100) 9.098 4.749 ( 3.065 -1.939 0.300) 3.639 4.880 ( 1.717 -3.905 -0.244) 4.272 ======================= Grid point 482 (179/288) ======================= q-point: (-0.21 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -5.649 2.000 1.381) 6.150 2.195 ( -4.992 -0.641 1.521) 5.258 2.265 ( 0.012 3.530 2.081) 4.098 2.447 ( -0.624 -3.517 -0.949) 3.696 2.686 ( -6.211 10.031 -6.335) 13.392 3.289 ( 3.788 -0.849 1.846) 4.298 3.882 ( -3.316 -0.875 0.477) 3.462 4.034 ( 0.281 1.197 0.672) 1.402 4.229 ( 2.249 -4.046 0.309) 4.640 4.515 ( -2.390 9.309 -0.949) 9.658 4.764 ( 1.134 -2.268 0.276) 2.551 4.879 ( 3.336 -4.501 -0.275) 5.609 ======================= Grid point 483 (180/288) ======================= q-point: (-0.14 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -6.797 -1.697 2.130) 7.323 2.067 ( -8.491 -1.368 1.451) 8.722 2.314 ( 0.092 3.188 3.013) 4.388 2.382 ( -2.913 -2.726 -1.363) 4.216 2.672 ( -3.294 7.953 -4.911) 9.911 3.269 ( -4.851 -2.182 -0.673) 5.362 3.833 ( -2.062 -0.079 2.187) 3.007 4.045 ( -0.879 1.048 0.320) 1.405 4.213 ( 0.941 -2.744 -0.942) 3.050 4.587 ( -0.606 7.966 -1.030) 8.055 4.753 ( 0.044 -1.554 -0.191) 1.566 4.920 ( 7.527 -5.104 0.007) 9.094 ======================= Grid point 491 (181/288) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -0.000 6.617 -7.397) 9.925 1.669 ( -0.000 10.382 -7.655) 12.899 1.940 ( 0.000 6.841 6.536) 9.461 2.111 ( -0.000 6.816 -10.104) 12.188 2.631 ( 0.000 9.361 7.687) 12.113 2.988 ( 0.000 4.120 9.882) 10.706 3.767 ( -0.000 2.800 -0.701) 2.886 3.978 ( 0.000 0.822 0.414) 0.921 4.264 ( -0.000 1.063 -1.846) 2.130 4.434 ( 0.000 -7.536 3.267) 8.214 4.798 ( -0.000 -4.083 -1.672) 4.412 5.373 ( -0.000 -4.852 -6.188) 7.863 ======================= Grid point 492 (182/288) ======================= q-point: ( 0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 0.746 5.832 -6.261) 8.589 1.817 ( 9.672 5.730 -9.455) 14.690 2.027 ( -0.883 7.703 5.875) 9.728 2.181 ( 1.480 8.438 -4.477) 9.666 2.684 ( -0.983 -1.391 6.115) 6.348 3.104 ( 0.880 9.749 7.552) 12.363 3.816 ( 2.241 2.938 0.291) 3.707 3.986 ( 0.019 1.013 0.066) 1.015 4.242 ( -1.172 -1.846 -1.207) 2.498 4.426 ( 4.896 -5.329 1.983) 7.503 4.756 ( -0.951 -1.163 -2.009) 2.509 5.253 ( -5.618 -4.890 -4.912) 8.922 ======================= Grid point 493 (183/288) ======================= q-point: ( 0.57 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 5.545 7.015 -1.311) 9.038 2.030 ( 12.347 0.351 -10.323) 16.098 2.118 ( 0.004 11.544 7.003) 13.503 2.289 ( 2.371 7.294 -1.680) 7.852 2.638 ( -1.145 -5.668 5.346) 7.875 3.200 ( -2.014 6.877 1.165) 7.260 3.894 ( 2.470 2.641 2.066) 4.164 4.003 ( 1.375 0.119 -0.265) 1.405 4.200 ( -2.007 0.138 -1.419) 2.462 4.483 ( 6.810 -4.966 0.803) 8.467 4.733 ( -1.179 1.384 -1.563) 2.398 5.072 ( -7.885 -4.123 -2.698) 9.298 ======================= Grid point 494 (184/288) ======================= q-point: ( 0.64 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 6.128 7.026 1.333) 9.418 2.139 ( 2.668 3.066 -1.095) 4.209 2.321 ( 5.638 7.812 0.092) 9.635 2.383 ( 2.358 3.212 -0.361) 4.001 2.605 ( 4.082 -4.386 3.279) 6.831 3.178 ( -5.228 3.045 -3.024) 6.764 3.944 ( 0.599 0.569 2.089) 2.246 4.043 ( 3.151 -0.176 -0.296) 3.170 4.162 ( -3.286 2.048 -1.189) 4.050 4.564 ( 7.065 -3.677 0.378) 7.974 4.722 ( -2.463 2.350 -1.311) 3.649 4.908 ( -5.528 -2.678 -0.360) 6.153 ======================= Grid point 495 (185/288) ======================= q-point: ( 0.71 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 1.775 4.708 1.585) 5.275 2.210 ( 1.584 4.064 0.082) 4.362 2.355 ( -2.624 -1.774 1.228) 3.397 2.425 ( 0.623 -0.552 -0.243) 0.867 2.775 ( 9.602 6.966 -0.793) 11.889 3.101 ( -2.952 0.108 -1.939) 3.533 3.955 ( 0.403 -0.311 0.630) 0.811 4.067 ( -1.623 -0.361 0.313) 1.692 4.135 ( 0.334 0.337 -0.299) 0.561 4.645 ( 3.155 -0.031 0.084) 3.157 4.680 ( -2.286 1.246 -0.841) 2.736 4.836 ( -0.989 -1.974 0.366) 2.238 ======================= Grid point 496 (186/288) ======================= q-point: (-0.21 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -4.349 0.642 1.536) 4.657 2.262 ( -1.231 1.513 0.220) 1.963 2.291 ( -1.257 -0.315 0.960) 1.613 2.412 ( 0.526 -2.271 -0.128) 2.334 2.900 ( -6.666 11.039 -3.297) 13.310 3.143 ( 9.696 -3.494 0.368) 10.313 3.945 ( -2.883 0.906 -0.299) 3.037 4.026 ( 0.204 -2.053 1.721) 2.687 4.157 ( 1.933 -1.295 -0.439) 2.368 4.641 ( -2.978 5.810 -1.005) 6.605 4.717 ( 2.570 -1.063 0.428) 2.814 4.805 ( 0.517 -3.677 0.172) 3.718 ======================= Grid point 497 (187/288) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -6.763 -1.418 2.146) 7.235 2.187 ( -5.909 -0.547 0.813) 5.990 2.304 ( 1.079 -1.868 0.897) 2.336 2.413 ( -0.310 1.540 0.532) 1.658 2.836 ( -7.848 5.932 -1.563) 9.961 3.236 ( 3.815 -3.593 -3.497) 6.300 3.894 ( -3.253 1.125 1.980) 3.971 4.041 ( 1.726 -1.391 0.769) 2.347 4.169 ( 1.157 -0.511 -1.155) 1.713 4.662 ( -1.379 2.676 -0.717) 3.095 4.717 ( 1.145 -2.348 -0.589) 2.678 4.808 ( 2.416 0.138 0.710) 2.522 ======================= Grid point 506 (188/288) ======================= q-point: ( 0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -0.000 3.808 -5.780) 6.921 1.708 ( -0.000 1.605 -11.344) 11.457 2.129 ( 0.000 7.133 4.802) 8.599 2.252 ( -0.000 9.035 -1.385) 9.140 2.679 ( 0.000 -5.653 6.932) 8.945 3.238 ( 0.000 11.859 5.849) 13.223 3.824 ( 0.000 2.920 -0.171) 2.925 3.997 ( -0.000 0.895 -0.116) 0.902 4.207 ( 0.000 -5.316 0.965) 5.403 4.359 ( -0.000 -0.959 -0.341) 1.018 4.757 ( -0.000 1.095 -1.982) 2.264 5.232 ( -0.000 -5.937 -4.116) 7.224 ======================= Grid point 507 (189/288) ======================= q-point: ( 0.57 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 3.874 4.956 -1.502) 6.467 1.786 ( 10.005 -0.093 -9.111) 13.532 2.214 ( 0.988 6.243 3.313) 7.137 2.336 ( 0.418 6.680 -0.003) 6.693 2.621 ( -1.359 -6.577 5.985) 8.995 3.332 ( -2.861 8.476 1.192) 9.025 3.877 ( 2.703 2.661 0.615) 3.843 3.994 ( -0.755 -0.322 0.051) 0.822 4.190 ( 2.599 -2.124 0.329) 3.373 4.365 ( 1.749 -1.396 -0.714) 2.349 4.768 ( -0.746 3.216 -1.302) 3.549 5.122 ( -4.171 -5.768 -2.534) 7.556 ======================= Grid point 508 (190/288) ======================= q-point: ( 0.64 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 7.032 4.505 0.547) 8.370 1.977 ( 13.192 0.834 -4.846) 14.079 2.315 ( 3.335 4.287 0.528) 5.457 2.396 ( 0.812 3.419 2.392) 4.251 2.551 ( -1.220 -5.070 4.394) 6.819 3.316 ( -5.916 4.959 -2.656) 8.164 3.952 ( 0.774 1.523 2.037) 2.659 3.977 ( 2.179 -1.625 -1.072) 2.922 4.230 ( -0.198 3.347 -1.080) 3.523 4.397 ( 5.858 -4.001 0.291) 7.099 4.780 ( -1.798 3.514 -0.679) 4.005 4.979 ( -5.381 -3.897 -0.733) 6.684 ======================= Grid point 509 (191/288) ======================= q-point: ( 0.71 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 6.604 0.963 -0.751) 6.716 2.175 ( 6.790 2.995 -0.874) 7.472 2.344 ( -0.249 -3.046 -1.409) 3.365 2.459 ( -2.257 1.619 0.663) 2.855 2.592 ( 12.155 0.099 5.335) 13.275 3.235 ( -7.208 4.350 -2.624) 8.818 3.942 ( 0.136 -1.652 0.467) 1.722 4.033 ( 2.818 0.013 -0.594) 2.880 4.211 ( -4.749 2.517 -0.695) 5.420 4.500 ( 8.771 -2.313 0.739) 9.101 4.758 ( -3.196 1.492 -0.653) 3.587 4.874 ( -3.852 -0.801 0.303) 3.946 ======================= Grid point 510 (192/288) ======================= q-point: (-0.21 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 1.959 -2.912 -1.186) 3.705 2.265 ( 1.893 0.118 -0.320) 1.924 2.298 ( -0.606 -1.360 -0.609) 1.609 2.412 ( -2.068 -0.483 -0.119) 2.127 2.872 ( 15.047 0.181 2.616) 15.273 3.144 ( -8.234 4.971 -0.062) 9.618 3.943 ( 1.953 -1.492 -0.007) 2.458 4.040 ( -2.164 -0.722 -1.365) 2.659 4.152 ( -2.122 0.758 0.535) 2.316 4.633 ( 6.613 0.284 0.838) 6.672 4.721 ( -2.157 1.407 -0.480) 2.619 4.805 ( -3.279 -1.170 -0.031) 3.482 ======================= Grid point 511 (193/288) ======================= q-point: (-0.14 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -2.424 -4.198 -0.000) 4.848 2.261 ( -1.419 -2.457 -0.000) 2.837 2.263 ( -1.031 -1.785 0.000) 2.061 2.422 ( 1.529 2.648 -0.000) 3.057 2.994 ( -2.988 -5.175 -0.000) 5.976 3.114 ( 2.575 4.460 0.000) 5.150 3.965 ( -1.435 -2.486 -0.000) 2.871 3.982 ( 0.789 1.367 0.000) 1.579 4.157 ( 0.760 1.316 -0.000) 1.519 4.665 ( -3.063 -5.305 -0.000) 6.126 4.713 ( 1.092 1.891 -0.000) 2.183 4.795 ( 2.005 3.472 -0.000) 4.009 ======================= Grid point 522 (194/288) ======================= q-point: ( 0.57 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -0.000 3.236 -1.173) 3.442 1.686 ( -0.000 1.908 -3.191) 3.718 2.254 ( 0.000 3.144 0.770) 3.237 2.388 ( 0.000 3.329 1.006) 3.478 2.588 ( 0.000 -5.087 4.385) 6.716 3.436 ( -0.000 5.591 -1.383) 5.759 3.875 ( 0.000 1.917 0.333) 1.946 4.011 ( -0.000 0.626 -0.403) 0.744 4.121 ( 0.000 -3.505 1.679) 3.886 4.357 ( -0.000 1.009 -1.607) 1.897 4.816 ( -0.000 5.317 -0.647) 5.356 5.088 ( -0.000 -6.533 -1.531) 6.710 ======================= Grid point 523 (195/288) ======================= q-point: ( 0.64 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 4.641 1.008 -1.477) 4.974 1.792 ( 9.271 5.301 3.243) 11.160 2.289 ( 1.923 0.470 -1.337) 2.389 2.407 ( 0.479 -0.885 2.740) 2.919 2.551 ( -1.304 -1.982 2.014) 3.111 3.431 ( -3.458 2.144 -4.271) 5.899 3.915 ( 2.522 0.481 -0.071) 2.568 3.984 ( -2.056 -0.380 0.597) 2.175 4.170 ( 6.561 -0.429 0.841) 6.628 4.353 ( -1.170 0.702 -1.323) 1.900 4.857 ( -1.877 5.183 -0.265) 5.519 5.000 ( -2.418 -4.804 -0.056) 5.378 ======================= Grid point 524 (196/288) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 6.636 -0.906 -1.083) 6.785 2.057 ( 11.036 5.880 3.533) 12.994 2.301 ( 1.196 -3.104 -3.776) 5.033 2.440 ( 5.270 -2.559 5.520) 8.049 2.509 ( -2.257 -0.353 0.312) 2.306 3.363 ( -4.275 1.336 -3.692) 5.805 3.919 ( -0.202 -2.616 -1.172) 2.874 3.994 ( 2.080 1.074 0.879) 2.500 4.308 ( -1.387 4.255 -0.903) 4.566 4.325 ( 7.112 -2.944 0.821) 7.741 4.829 ( -3.738 0.013 -0.471) 3.767 4.936 ( -3.293 1.075 0.919) 3.584 ======================= Grid point 525 (197/288) ======================= q-point: (-0.21 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 5.369 -3.932 -1.829) 6.901 2.206 ( 2.132 -3.088 -0.862) 3.850 2.288 ( 2.044 1.322 -2.884) 3.774 2.439 ( -1.982 -2.666 0.740) 3.404 2.631 ( 12.762 0.045 5.656) 13.959 3.298 ( -4.381 1.726 -0.148) 4.711 3.891 ( 0.909 -2.628 -1.444) 3.134 4.039 ( 1.499 0.660 -0.380) 1.681 4.230 ( -5.042 -0.578 0.115) 5.076 4.507 ( 9.153 2.651 0.890) 9.571 4.767 ( -2.548 -0.314 -0.224) 2.578 4.876 ( -5.217 0.792 0.338) 5.287 ======================= Grid point 537 (198/288) ======================= q-point: (-0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 0.000 2.839 3.109) 4.210 1.770 ( 0.000 5.718 5.359) 7.837 2.256 ( -0.000 -2.404 -2.961) 3.814 2.390 ( 0.000 -2.502 2.340) 3.426 2.554 ( 0.000 -1.159 0.746) 1.378 3.442 ( -0.000 -2.020 -7.173) 7.452 3.899 ( 0.000 0.170 0.734) 0.754 4.015 ( -0.000 0.000 -0.565) 0.565 4.088 ( 0.000 -0.906 1.713) 1.938 4.374 ( -0.000 1.464 -1.250) 1.925 4.911 ( -0.000 -0.808 -0.550) 0.978 4.998 ( 0.000 2.712 1.428) 3.065 ======================= Grid point 538 (199/288) ======================= q-point: (-0.29 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 1.439 1.259 3.150) 3.685 1.956 ( 9.369 7.099 6.699) 13.530 2.217 ( 1.246 -5.759 -4.842) 7.626 2.381 ( 1.054 -2.103 3.280) 4.036 2.529 ( -1.095 -1.812 -0.050) 2.118 3.375 ( -0.761 -4.049 -6.906) 8.042 3.899 ( -0.301 -1.577 -0.130) 1.610 3.989 ( -0.504 0.171 0.442) 0.692 4.171 ( 7.355 -0.144 0.925) 7.414 4.372 ( -1.511 1.724 -0.742) 2.409 4.858 ( -1.880 -3.728 -0.043) 4.176 5.037 ( -2.979 6.700 1.215) 7.432 ======================= Grid point 539 (200/288) ======================= q-point: (-0.21 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 2.708 -1.991 1.155) 3.554 2.129 ( 0.891 -6.527 -3.396) 7.411 2.210 ( 7.817 1.918 -1.557) 8.198 2.416 ( 2.013 -2.387 6.007) 6.771 2.511 ( 2.891 0.445 1.822) 3.447 3.312 ( 0.450 -4.693 -3.422) 5.826 3.860 ( -0.823 -2.339 -1.256) 2.780 4.011 ( 1.936 0.266 0.270) 1.973 4.263 ( 0.969 -2.443 0.592) 2.694 4.410 ( 5.124 4.881 0.354) 7.085 4.793 ( -1.913 -2.015 0.034) 2.778 5.015 ( -6.762 5.057 0.590) 8.465 ======================= Grid point 552 (201/288) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 0.000 2.242 6.232) 6.623 1.944 ( 0.000 5.898 6.047) 8.447 2.122 ( -0.000 -8.033 -5.993) 10.022 2.367 ( 0.000 -0.850 4.052) 4.141 2.513 ( -0.000 -2.420 -0.943) 2.597 3.289 ( -0.000 -8.400 -7.757) 11.433 3.891 ( 0.000 -1.473 1.154) 1.871 4.002 ( -0.000 -0.849 -0.919) 1.252 4.100 ( 0.000 1.441 0.956) 1.730 4.397 ( -0.000 1.109 -0.241) 1.135 4.835 ( -0.000 -3.435 0.265) 3.445 5.148 ( 0.000 8.212 0.776) 8.249 ======================= Grid point 553 (202/288) ======================= q-point: (-0.21 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -2.513 -0.007 4.444) 5.106 2.003 ( 0.774 -11.581 -6.372) 13.241 2.088 ( 7.755 1.008 0.477) 7.835 2.401 ( 1.081 0.788 8.514) 8.619 2.493 ( 0.526 0.675 -0.925) 1.260 3.186 ( 2.310 -11.239 -5.329) 12.651 3.861 ( -1.600 -2.059 0.374) 2.634 3.986 ( 0.568 -0.548 -0.586) 0.983 4.188 ( 5.332 2.001 0.709) 5.739 4.407 ( 0.542 1.577 0.387) 1.712 4.799 ( -1.040 -1.742 0.140) 2.034 5.188 ( -4.867 7.443 0.058) 8.893 ======================= Grid point 567 (203/288) ======================= q-point: (-0.21 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -0.000 -10.726 -1.686) 10.857 1.910 ( 0.000 -0.512 1.372) 1.464 1.937 ( -0.000 -8.200 -4.817) 9.510 2.426 ( 0.000 -0.739 5.024) 5.078 2.520 ( 0.000 7.116 4.069) 8.197 3.006 ( -0.000 -16.434 -3.771) 16.861 3.858 ( 0.000 -2.458 1.528) 2.894 3.971 ( -0.000 -1.400 -1.435) 2.005 4.178 ( 0.000 6.233 0.496) 6.253 4.410 ( 0.000 -0.102 0.877) 0.883 4.797 ( -0.000 -0.386 -0.140) 0.410 5.310 ( -0.000 7.725 -0.955) 7.784 ======================= Grid point 644 (204/288) ======================= q-point: ( 0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 0.000 -0.000 18.574) 18.574 0.549 ( 0.000 -0.000 18.574) 18.574 0.941 ( 0.000 -0.000 32.666) 32.666 1.959 ( -0.000 0.000 -5.782) 5.782 1.959 ( -0.000 0.000 -5.782) 5.782 3.532 ( -0.000 0.000 -17.398) 17.398 3.703 ( -0.000 0.000 -0.809) 0.809 3.703 ( -0.000 0.000 -0.809) 0.809 3.932 ( 0.000 -0.000 1.392) 1.392 3.932 ( 0.000 -0.000 1.392) 1.392 5.164 ( 0.000 -0.000 7.667) 7.667 5.910 ( -0.000 0.000 -1.512) 1.512 ======================= Grid point 645 (205/288) ======================= q-point: ( 0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 3.199 1.847 15.627) 16.058 0.730 ( 4.112 2.374 20.295) 20.843 1.237 ( 15.604 9.009 17.859) 25.369 1.955 ( 3.502 2.022 -4.537) 6.078 1.991 ( 2.294 1.325 -4.972) 5.634 3.171 ( -7.294 -4.211 -7.027) 10.970 3.709 ( 0.483 0.279 -1.009) 1.153 3.928 ( -0.402 -0.232 1.508) 1.578 3.998 ( 6.556 3.785 1.238) 7.670 4.354 ( 24.236 13.993 -21.951) 35.567 5.177 ( -0.979 -0.565 6.371) 6.470 5.756 ( -11.369 -6.564 0.042) 13.128 ======================= Grid point 646 (206/288) ======================= q-point: ( 0.36 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 9.164 5.291 9.413) 14.162 0.890 ( 5.275 3.046 15.637) 16.782 1.614 ( 13.262 7.657 -4.609) 15.992 2.035 ( 2.545 1.469 -3.836) 4.832 2.138 ( 12.333 7.120 6.968) 15.854 3.076 ( -0.244 -0.141 -6.384) 6.390 3.721 ( 0.937 0.541 -1.417) 1.783 3.925 ( -0.205 -0.119 1.692) 1.709 4.157 ( 5.967 3.445 1.303) 7.012 4.663 ( 8.860 5.115 -12.740) 16.340 5.144 ( -3.766 -2.174 5.455) 6.976 5.447 ( -13.696 -7.908 -3.210) 16.138 ======================= Grid point 647 (207/288) ======================= q-point: ( 0.43 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 11.331 6.542 4.537) 13.848 1.076 ( 7.856 4.536 6.776) 11.323 1.848 ( 10.073 5.816 -9.776) 15.195 2.085 ( 2.602 1.502 -2.335) 3.805 2.501 ( 14.465 8.351 9.175) 19.056 3.099 ( 3.080 1.778 -2.393) 4.287 3.747 ( 1.797 1.037 -1.700) 2.682 3.930 ( 0.198 0.115 1.726) 1.742 4.257 ( 2.376 1.372 -0.784) 2.853 4.747 ( 1.156 0.667 -3.981) 4.199 4.969 ( -14.122 -8.154 6.329) 17.492 5.205 ( -3.458 -1.996 -7.573) 8.561 ======================= Grid point 648 (208/288) ======================= q-point: ( 0.50 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 9.757 5.633 0.818) 11.296 1.300 ( 10.947 6.320 0.983) 12.679 2.051 ( 9.387 5.420 -5.308) 12.069 2.140 ( 2.372 1.369 -0.451) 2.776 2.787 ( 7.474 4.315 3.311) 9.243 3.190 ( 4.161 2.402 2.422) 5.381 3.794 ( 2.594 1.498 -1.730) 3.459 3.945 ( 0.623 0.359 1.583) 1.738 4.268 ( -0.766 -0.442 -1.693) 1.910 4.633 ( -13.691 -7.904 1.462) 15.876 4.725 ( -1.338 -0.772 -1.892) 2.443 5.165 ( -0.218 -0.126 -2.547) 2.560 ======================= Grid point 649 (209/288) ======================= q-point: ( 0.57 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 9.925 5.730 -2.645) 11.762 1.532 ( 8.947 5.165 -1.806) 10.487 2.189 ( 1.533 0.885 1.682) 2.442 2.248 ( 8.199 4.734 -1.760) 9.630 2.852 ( -1.937 -1.118 -1.173) 2.525 3.268 ( 1.129 0.652 5.097) 5.261 3.852 ( 2.645 1.527 -1.602) 3.448 3.967 ( 0.836 0.483 1.376) 1.681 4.222 ( -2.654 -1.532 -0.678) 3.139 4.398 ( -6.146 -3.549 -0.481) 7.113 4.719 ( 1.844 1.065 -0.929) 2.324 5.143 ( -1.656 -0.956 -0.751) 2.055 ======================= Grid point 650 (210/288) ======================= q-point: ( 0.64 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 6.391 3.690 -3.940) 8.366 1.729 ( 8.627 4.981 -5.498) 11.378 2.212 ( -0.438 -0.253 3.687) 3.722 2.402 ( 4.832 2.790 -0.700) 5.624 2.726 ( -6.733 -3.887 -4.488) 8.977 3.283 ( -1.320 -0.762 9.014) 9.142 3.900 ( 1.709 0.987 -1.429) 2.437 3.989 ( 0.633 0.366 1.188) 1.395 4.161 ( -2.012 -1.162 -1.057) 2.552 4.328 ( -0.688 -0.397 0.509) 0.944 4.806 ( 5.259 3.036 -0.191) 6.075 5.079 ( -3.442 -1.987 -0.917) 4.079 ======================= Grid point 651 (211/288) ======================= q-point: (-0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 4.186 2.417 -5.401) 7.248 1.886 ( 6.382 3.685 -6.515) 9.836 2.180 ( -3.726 -2.151 5.229) 6.772 2.443 ( -0.580 -0.335 -2.988) 3.062 2.586 ( -3.603 -2.080 -3.276) 5.296 3.272 ( -2.278 -1.315 10.830) 11.144 3.918 ( 0.237 0.137 -1.326) 1.354 3.999 ( -0.054 -0.031 1.111) 1.113 4.124 ( -0.908 -0.524 -1.959) 2.222 4.345 ( 1.512 0.873 1.841) 2.537 4.901 ( -0.116 -0.067 0.439) 0.458 5.026 ( 2.174 1.255 -1.448) 2.898 ======================= Grid point 652 (212/288) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 2.617 1.511 -6.532) 7.198 1.980 ( 2.301 1.329 -1.722) 3.166 2.065 ( -7.705 -4.448 6.521) 11.030 2.425 ( 1.572 0.908 -8.372) 8.567 2.505 ( -3.263 -1.884 0.701) 3.833 3.217 ( -5.814 -3.356 7.857) 10.334 3.903 ( -1.188 -0.686 -1.392) 1.954 3.992 ( -0.845 -0.488 1.232) 1.572 4.112 ( 0.796 0.460 -1.601) 1.846 4.391 ( 1.591 0.919 1.139) 2.162 4.836 ( -2.989 -1.725 -0.013) 3.451 5.151 ( 6.659 3.845 0.062) 7.690 ======================= Grid point 659 (213/288) ======================= q-point: ( 0.29 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 0.000 10.243 14.171) 17.486 0.838 ( 0.000 11.286 13.785) 17.816 1.265 ( 0.000 12.534 23.091) 26.273 1.878 ( -0.000 -1.793 -6.648) 6.886 2.016 ( -0.000 6.171 -4.843) 7.845 3.151 ( -0.000 -9.286 -7.684) 12.052 3.694 ( -0.000 -0.008 -0.789) 0.789 3.937 ( -0.000 6.084 -0.497) 6.104 3.946 ( 0.000 0.184 1.293) 1.306 4.310 ( -0.000 24.909 -16.712) 29.995 5.197 ( 0.000 -1.661 6.367) 6.580 5.782 ( -0.000 -9.250 -1.325) 9.345 ======================= Grid point 660 (214/288) ======================= q-point: ( 0.36 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -0.195 14.773 8.419) 17.005 0.987 ( -0.919 10.525 16.949) 19.973 1.518 ( 6.222 11.514 1.642) 13.191 1.939 ( 8.800 1.269 -2.058) 9.127 2.089 ( 3.113 7.528 0.159) 8.148 3.047 ( -0.618 -2.925 -6.863) 7.486 3.713 ( 1.264 0.725 -0.765) 1.645 3.919 ( -0.644 -0.243 0.596) 0.910 4.093 ( 6.409 4.647 1.595) 8.076 4.535 ( 7.736 10.567 -13.199) 18.594 5.171 ( -1.644 -4.372 5.372) 7.118 5.586 ( -10.350 -8.211 -2.958) 13.538 ======================= Grid point 661 (215/288) ======================= q-point: ( 0.43 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 3.461 15.128 3.586) 15.927 1.121 ( -0.998 10.742 14.334) 17.940 1.714 ( 8.556 7.466 -9.750) 14.967 2.058 ( 3.121 3.494 -5.563) 7.273 2.363 ( 13.816 8.987 9.660) 19.104 3.037 ( 2.975 -0.266 -3.805) 4.837 3.742 ( 0.831 2.163 -0.892) 2.483 3.918 ( 0.764 -0.689 0.751) 1.274 4.221 ( 3.439 2.208 0.104) 4.088 4.685 ( 5.244 2.094 -5.805) 8.098 5.076 ( -4.773 -8.781 6.727) 12.048 5.293 ( -12.181 -3.557 -7.063) 14.523 ======================= Grid point 662 (216/288) ======================= q-point: ( 0.50 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 4.550 10.368 2.290) 11.552 1.286 ( 3.252 14.513 6.779) 16.345 1.925 ( 9.699 6.864 -5.777) 13.212 2.125 ( 2.345 3.686 -4.000) 5.923 2.683 ( 10.543 5.085 4.201) 12.437 3.114 ( 5.832 0.604 0.463) 5.882 3.784 ( 1.205 3.272 -1.004) 3.629 3.934 ( 1.115 -0.088 1.086) 1.559 4.258 ( 0.494 -0.586 -1.470) 1.658 4.722 ( 0.195 -1.022 -2.683) 2.877 4.822 ( -14.093 -7.789 2.803) 16.344 5.145 ( -1.010 -1.991 -3.209) 3.910 ======================= Grid point 663 (217/288) ======================= q-point: ( 0.57 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 5.035 9.121 3.615) 11.028 1.515 ( 4.919 13.502 -0.743) 14.389 2.137 ( 7.800 5.162 -1.305) 9.444 2.197 ( 2.814 4.643 -2.089) 5.817 2.830 ( 3.073 -0.768 -0.649) 3.233 3.221 ( 4.897 -0.813 2.353) 5.494 3.841 ( 1.447 3.794 -1.011) 4.184 3.959 ( 0.934 0.505 1.497) 1.835 4.233 ( -0.860 -1.994 -1.263) 2.512 4.532 ( -11.998 -2.108 -0.997) 12.222 4.704 ( 0.186 -0.423 -0.637) 0.787 5.122 ( 0.958 -3.638 -0.086) 3.763 ======================= Grid point 664 (218/288) ======================= q-point: ( 0.64 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 4.390 6.959 1.090) 8.300 1.717 ( 4.052 12.397 -3.980) 13.636 2.231 ( 0.663 2.293 1.863) 3.028 2.343 ( 6.051 5.113 -0.926) 7.976 2.775 ( -4.792 -4.425 -4.203) 7.759 3.278 ( 2.780 -2.418 5.174) 6.352 3.896 ( 0.755 3.406 -0.955) 3.617 3.979 ( 0.559 -0.144 1.314) 1.435 4.198 ( -1.245 0.033 -0.664) 1.411 4.371 ( -5.585 0.647 -0.518) 5.646 4.745 ( 3.995 1.587 -0.087) 4.299 5.083 ( -0.824 -4.549 -0.089) 4.624 ======================= Grid point 665 (219/288) ======================= q-point: ( 0.71 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 2.851 4.162 -2.149) 5.483 1.881 ( 2.737 11.434 -5.788) 13.105 2.240 ( -2.497 0.462 3.953) 4.699 2.447 ( 1.058 2.362 -1.683) 3.087 2.614 ( -4.889 -4.013 -4.736) 7.902 3.309 ( 0.657 -1.745 8.754) 8.951 3.920 ( -0.530 1.131 -0.707) 1.435 3.987 ( 0.688 -0.634 0.341) 0.996 4.189 ( -2.722 4.744 -1.089) 5.577 4.330 ( 0.201 -0.392 1.177) 1.257 4.850 ( 5.289 0.717 0.337) 5.348 5.011 ( -1.425 -3.570 -1.104) 3.999 ======================= Grid point 666 (220/288) ======================= q-point: (-0.21 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 1.896 1.151 -4.227) 4.774 2.010 ( 1.369 10.259 -4.951) 11.473 2.170 ( -6.298 -2.331 5.509) 8.687 2.423 ( -2.252 1.291 -5.890) 6.436 2.529 ( -1.742 -2.402 -0.357) 2.989 3.305 ( -3.170 -1.301 8.492) 9.157 3.901 ( -0.862 -1.631 -0.628) 1.949 3.991 ( -0.028 -0.039 0.049) 0.068 4.181 ( -3.886 6.098 -1.248) 7.338 4.363 ( 2.701 -0.097 1.408) 3.047 4.857 ( -1.968 -3.395 0.067) 3.925 5.047 ( 6.961 0.510 -0.863) 7.033 ======================= Grid point 674 (221/288) ======================= q-point: ( 0.36 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.000 16.400 7.262) 17.935 1.140 ( 0.000 12.090 6.199) 13.586 1.662 ( 0.000 16.598 4.883) 17.302 1.821 ( -0.000 -0.168 -3.891) 3.895 2.139 ( 0.000 7.817 0.854) 7.863 3.003 ( -0.000 -2.423 -4.732) 5.316 3.696 ( -0.000 0.715 -0.779) 1.058 3.956 ( 0.000 0.195 0.993) 1.012 4.078 ( 0.000 6.989 0.987) 7.059 4.535 ( -0.000 7.281 -8.255) 11.007 5.141 ( 0.000 -7.849 4.958) 9.284 5.585 ( -0.000 -7.307 -5.629) 9.224 ======================= Grid point 675 (222/288) ======================= q-point: ( 0.43 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -1.461 14.976 0.424) 15.053 1.318 ( 1.301 13.398 9.836) 16.672 1.701 ( -1.971 9.403 -6.167) 11.417 1.980 ( 7.688 4.319 -8.062) 11.948 2.302 ( 7.187 10.837 9.794) 16.280 2.988 ( 1.155 -0.273 -1.347) 1.795 3.728 ( 2.339 1.229 -0.370) 2.668 3.932 ( -2.048 1.128 0.069) 2.339 4.189 ( 3.449 3.707 0.629) 5.102 4.603 ( 4.109 1.579 -3.188) 5.435 5.045 ( -1.691 -10.832 4.418) 11.820 5.426 ( -8.384 -4.261 -7.523) 12.043 ======================= Grid point 676 (223/288) ======================= q-point: ( 0.50 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 2.033 12.390 -2.789) 12.861 1.486 ( -1.980 15.861 11.991) 19.982 1.835 ( 7.230 9.552 -5.216) 13.066 2.082 ( 4.471 3.027 -9.411) 10.850 2.582 ( 8.651 7.414 5.685) 12.733 3.036 ( 3.844 0.906 2.349) 4.596 3.787 ( 2.238 2.367 0.334) 3.274 3.927 ( 0.024 1.673 -0.437) 1.729 4.241 ( 0.529 0.033 -0.877) 1.025 4.671 ( 3.631 -1.637 -0.481) 4.012 4.898 ( -4.082 -10.638 3.610) 11.952 5.205 ( -9.339 -1.729 -6.811) 11.687 ======================= Grid point 677 (224/288) ======================= q-point: ( 0.57 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 4.196 11.291 -0.476) 12.055 1.654 ( -1.277 16.491 8.509) 18.601 2.059 ( 8.194 8.283 -2.083) 11.836 2.168 ( 4.560 3.926 -6.712) 9.014 2.745 ( 4.967 -0.042 0.058) 4.967 3.134 ( 4.543 0.223 2.636) 5.257 3.854 ( 1.774 3.418 0.603) 3.898 3.958 ( 0.963 2.261 0.245) 2.470 4.218 ( -0.819 -2.407 -1.225) 2.822 4.684 ( -0.274 -0.925 -2.067) 2.281 4.710 ( -8.145 -4.618 1.334) 9.458 5.069 ( -1.591 -4.018 -1.535) 4.586 ======================= Grid point 678 (225/288) ======================= q-point: ( 0.64 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 2.991 10.326 2.340) 11.003 1.815 ( -0.238 14.889 2.529) 15.104 2.233 ( 3.700 4.630 -0.378) 5.939 2.293 ( 5.741 6.198 -2.657) 8.856 2.765 ( -0.040 -3.777 -3.278) 5.001 3.192 ( 3.710 -2.964 1.808) 5.082 3.918 ( 1.346 3.512 0.249) 3.769 3.989 ( -0.637 1.584 0.967) 1.961 4.184 ( 0.703 -2.044 -0.649) 2.257 4.526 ( -9.393 1.977 -1.523) 9.719 4.702 ( 2.252 0.315 0.086) 2.276 5.021 ( 1.158 -6.138 0.451) 6.263 ======================= Grid point 679 (226/288) ======================= q-point: ( 0.71 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -0.487 8.075 2.417) 8.443 1.963 ( 0.841 13.117 -2.366) 13.355 2.294 ( -0.901 2.259 2.454) 3.455 2.432 ( 4.010 4.288 -1.533) 6.068 2.654 ( -5.687 -3.421 -6.280) 9.137 3.249 ( 5.358 -3.107 4.618) 7.726 3.963 ( -2.575 1.894 0.335) 3.214 3.972 ( 0.967 0.293 0.029) 1.011 4.214 ( 3.213 0.801 0.513) 3.351 4.409 ( -7.222 3.653 -0.888) 8.142 4.769 ( 4.330 0.302 0.394) 4.359 4.974 ( 0.268 -5.602 -0.222) 5.613 ======================= Grid point 680 (227/288) ======================= q-point: (-0.21 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -2.688 4.965 0.071) 5.646 2.088 ( 0.644 10.778 -3.218) 11.266 2.264 ( -4.248 -0.894 4.377) 6.164 2.495 ( -3.203 5.385 -5.312) 8.214 2.516 ( -1.730 -3.535 -2.231) 4.524 3.321 ( 2.773 -1.530 5.480) 6.330 3.912 ( -2.368 -1.548 0.399) 2.857 4.000 ( 0.096 1.873 -0.344) 1.907 4.298 ( 4.549 -0.294 1.254) 4.728 4.333 ( -6.119 6.222 -1.043) 8.789 4.824 ( 2.003 -3.120 0.471) 3.737 4.945 ( 2.827 -2.479 -1.023) 3.897 ======================= Grid point 689 (228/288) ======================= q-point: ( 0.43 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -0.000 9.699 -4.080) 10.522 1.390 ( 0.000 14.953 0.124) 14.954 1.851 ( 0.000 3.722 3.556) 5.147 1.905 ( -0.000 10.411 -13.641) 17.160 2.395 ( 0.000 13.520 11.563) 17.790 2.983 ( 0.000 0.824 2.377) 2.516 3.717 ( -0.000 1.858 -0.606) 1.954 3.967 ( 0.000 0.423 0.488) 0.646 4.200 ( 0.000 4.392 0.119) 4.393 4.561 ( 0.000 -1.954 0.797) 2.110 4.955 ( 0.000 -11.298 1.934) 11.462 5.433 ( -0.000 -3.911 -8.362) 9.231 ======================= Grid point 690 (229/288) ======================= q-point: ( 0.50 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -0.875 9.569 -6.456) 11.576 1.611 ( 7.013 11.690 -1.080) 13.675 1.883 ( -1.550 9.629 2.747) 10.132 2.006 ( 3.714 5.435 -9.833) 11.833 2.593 ( 2.895 10.530 7.947) 13.506 3.021 ( 1.292 2.383 5.714) 6.324 3.762 ( 2.619 2.300 0.018) 3.486 3.959 ( -1.154 1.498 -0.184) 1.900 4.239 ( 0.147 1.275 -0.862) 1.546 4.568 ( 4.079 -5.206 3.365) 7.420 4.842 ( -1.263 -8.769 -0.025) 8.860 5.311 ( -6.557 -2.945 -7.581) 10.447 ======================= Grid point 691 (230/288) ======================= q-point: ( 0.57 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 4.013 9.759 -3.418) 11.091 1.851 ( 4.397 13.814 4.574) 15.201 1.989 ( 4.547 5.213 -2.409) 7.325 2.109 ( 4.050 7.683 -6.204) 10.673 2.701 ( 0.846 1.446 3.087) 3.512 3.104 ( 1.956 3.415 4.723) 6.148 3.843 ( 3.157 2.768 1.182) 4.362 3.971 ( 0.433 2.516 -0.556) 2.613 4.217 ( -1.752 -1.549 -1.124) 2.595 4.606 ( 5.080 -5.737 2.645) 8.106 4.745 ( -2.121 -4.147 -1.100) 4.786 5.128 ( -8.226 -2.500 -4.727) 9.812 ======================= Grid point 692 (231/288) ======================= q-point: ( 0.64 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 5.539 10.160 -0.056) 11.572 2.011 ( -2.931 12.041 7.667) 14.572 2.163 ( 10.208 4.998 -6.112) 12.905 2.258 ( 4.648 7.972 -2.276) 9.505 2.704 ( 0.900 -3.625 0.791) 3.818 3.145 ( -0.280 -0.028 0.531) 0.601 3.920 ( 1.867 2.356 1.387) 3.310 4.016 ( 1.261 2.803 -0.048) 3.074 4.160 ( -1.549 -2.102 -0.896) 2.760 4.638 ( 2.510 -3.554 1.286) 4.537 4.676 ( -2.986 1.338 -1.987) 3.828 4.976 ( -3.887 -4.144 -0.924) 5.756 ======================= Grid point 693 (232/288) ======================= q-point: ( 0.71 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 2.404 9.011 1.421) 9.433 2.090 ( -1.274 9.070 2.816) 9.582 2.326 ( 2.032 4.663 0.564) 5.118 2.394 ( 4.199 4.400 -1.745) 6.327 2.680 ( -0.573 -0.631 -4.326) 4.410 3.136 ( 2.703 -3.191 1.229) 4.358 3.960 ( 0.746 0.346 0.392) 0.911 4.037 ( -2.493 2.745 0.302) 3.720 4.149 ( 2.924 -1.357 0.111) 3.225 4.580 ( -6.787 3.861 -1.212) 7.902 4.703 ( 3.593 -0.846 0.466) 3.720 4.903 ( 0.506 -5.061 0.203) 5.091 ======================= Grid point 694 (233/288) ======================= q-point: ( 0.79 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -3.078 6.204 1.976) 7.202 2.172 ( 0.303 7.533 -0.114) 7.540 2.325 ( -3.129 -1.225 2.585) 4.239 2.465 ( 2.115 -1.677 -0.652) 2.777 2.649 ( -5.611 9.399 -7.001) 12.993 3.211 ( 7.710 -3.097 2.771) 8.758 3.944 ( -2.144 -0.828 -0.188) 2.306 4.027 ( -1.053 2.056 0.853) 2.462 4.204 ( 4.404 -2.339 0.671) 5.032 4.508 ( -6.348 6.417 -1.047) 9.087 4.753 ( 3.065 -1.986 0.561) 3.695 4.877 ( 1.422 -3.737 -0.320) 4.011 ======================= Grid point 704 (234/288) ======================= q-point: ( 0.50 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -0.000 6.469 -7.869) 10.187 1.585 ( -0.000 7.128 -10.563) 12.742 2.000 ( 0.000 6.964 6.496) 9.523 2.038 ( -0.000 10.779 -6.010) 12.342 2.700 ( 0.000 7.425 7.262) 10.386 3.070 ( 0.000 5.605 8.231) 9.958 3.763 ( 0.000 2.868 -0.194) 2.874 3.979 ( -0.000 0.715 -0.088) 0.720 4.250 ( -0.000 0.844 -1.263) 1.519 4.471 ( 0.000 -8.065 4.787) 9.379 4.781 ( -0.000 -4.772 -2.061) 5.198 5.312 ( -0.000 -3.684 -7.000) 7.910 ======================= Grid point 705 (235/288) ======================= q-point: ( 0.57 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 2.175 7.196 -4.843) 8.943 1.719 ( 10.847 3.857 -11.317) 16.143 2.083 ( -0.786 7.612 5.977) 9.710 2.150 ( 1.434 10.785 -2.455) 11.153 2.738 ( -1.652 -0.789 5.652) 5.941 3.166 ( -0.505 7.774 5.876) 9.758 3.819 ( 2.803 3.090 0.495) 4.201 3.985 ( -0.038 1.096 -0.323) 1.143 4.231 ( -1.343 -1.307 -1.038) 2.142 4.450 ( 4.699 -7.084 3.214) 9.088 4.737 ( -0.783 -1.129 -2.129) 2.534 5.207 ( -5.172 -3.664 -5.052) 8.106 ======================= Grid point 706 (236/288) ======================= q-point: ( 0.64 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 6.555 8.251 -0.539) 10.552 1.938 ( 13.702 1.519 -9.615) 16.808 2.177 ( 0.330 9.364 5.824) 11.033 2.277 ( 2.302 8.393 -0.980) 8.758 2.687 ( -2.002 -4.825 5.170) 7.350 3.206 ( -3.516 4.744 0.236) 5.909 3.909 ( 2.982 2.840 1.256) 4.305 4.000 ( 1.230 0.105 -0.326) 1.277 4.188 ( -2.147 0.115 -1.021) 2.380 4.494 ( 6.669 -5.784 1.569) 8.966 4.719 ( -1.071 1.697 -1.483) 2.495 5.049 ( -7.113 -3.209 -2.358) 8.152 ======================= Grid point 707 (237/288) ======================= q-point: ( 0.71 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 6.413 7.102 0.231) 9.571 2.118 ( 6.463 2.065 -3.127) 7.471 2.326 ( 4.044 6.932 0.631) 8.051 2.383 ( 2.062 4.869 0.521) 5.313 2.640 ( 1.742 -3.166 4.305) 5.620 3.153 ( -5.166 1.933 -2.369) 6.004 3.957 ( 0.223 0.555 0.882) 1.065 4.040 ( 3.482 -0.480 -0.310) 3.529 4.153 ( -2.989 2.094 -0.733) 3.722 4.570 ( 6.936 -3.840 0.953) 7.986 4.711 ( -2.605 2.631 -1.078) 3.856 4.905 ( -4.928 -2.317 -0.283) 5.452 ======================= Grid point 708 (238/288) ======================= q-point: ( 0.79 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 2.419 4.190 -0.000) 4.839 2.210 ( 2.077 3.598 -0.000) 4.154 2.361 ( -1.553 -2.690 -0.000) 3.106 2.423 ( -0.007 -0.012 -0.000) 0.014 2.771 ( 5.496 9.519 -0.000) 10.991 3.092 ( -0.593 -1.027 -0.000) 1.186 3.958 ( -0.133 -0.231 -0.000) 0.267 4.069 ( -0.538 -0.931 -0.000) 1.076 4.133 ( 0.276 0.479 -0.000) 0.553 4.646 ( 0.800 1.385 -0.000) 1.600 4.676 ( -0.012 -0.021 -0.000) 0.024 4.837 ( -1.095 -1.896 -0.000) 2.190 ======================= Grid point 720 (239/288) ======================= q-point: ( 0.57 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -0.000 5.385 -4.248) 6.859 1.614 ( -0.000 3.676 -8.975) 9.698 2.166 ( 0.000 5.796 3.307) 6.673 2.241 ( -0.000 10.103 -0.959) 10.149 2.740 ( 0.000 -5.567 6.454) 8.524 3.282 ( 0.000 9.089 3.796) 9.850 3.824 ( 0.000 3.009 0.320) 3.026 3.994 ( -0.000 0.852 -0.510) 0.993 4.212 ( -0.000 -4.026 0.306) 4.037 4.363 ( 0.000 -3.159 1.051) 3.329 4.739 ( -0.000 1.527 -1.905) 2.441 5.196 ( -0.000 -4.681 -3.891) 6.087 ======================= Grid point 721 (240/288) ======================= q-point: ( 0.64 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 4.699 6.567 -0.317) 8.082 1.716 ( 9.600 2.568 -6.027) 11.623 2.236 ( 1.407 4.548 1.512) 4.995 2.336 ( 0.566 7.611 0.008) 7.632 2.677 ( -1.501 -7.313 6.152) 9.673 3.334 ( -3.644 6.114 -0.903) 7.174 3.883 ( 2.989 2.580 0.590) 3.992 3.994 ( -0.589 -0.126 -0.282) 0.665 4.192 ( 1.613 -1.628 0.185) 2.299 4.362 ( 2.422 -2.514 0.118) 3.493 4.756 ( -0.669 3.766 -1.147) 3.994 5.101 ( -3.871 -4.704 -1.988) 6.408 ======================= Grid point 722 (241/288) ======================= q-point: ( 0.71 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 7.217 3.537 -1.635) 8.202 1.952 ( 12.612 4.746 -0.515) 13.486 2.311 ( 2.700 1.913 -1.216) 3.525 2.416 ( 1.398 5.240 1.926) 5.755 2.598 ( -0.784 -6.522 5.828) 8.781 3.287 ( -6.049 4.183 -3.735) 8.249 3.965 ( 2.862 1.982 0.548) 3.525 3.970 ( 0.042 -2.353 -0.307) 2.373 4.220 ( -0.614 3.395 -0.939) 3.576 4.402 ( 6.357 -4.195 0.751) 7.653 4.774 ( -1.858 3.806 -0.652) 4.285 4.974 ( -5.085 -3.193 -0.254) 6.010 ======================= Grid point 736 (242/288) ======================= q-point: ( 0.64 0.64 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 0.000 4.789 0.589) 4.825 1.672 ( 0.000 5.232 0.190) 5.236 2.254 ( -0.000 1.828 -0.796) 1.994 2.394 ( 0.000 4.499 0.444) 4.521 2.632 ( 0.000 -7.036 5.257) 8.783 3.409 ( -0.000 3.142 -4.444) 5.442 3.879 ( 0.000 1.973 0.742) 2.108 4.006 ( -0.000 0.650 -0.692) 0.949 4.136 ( 0.000 -3.282 1.630) 3.664 4.344 ( -0.000 0.671 -1.273) 1.439 4.810 ( -0.000 5.861 -0.528) 5.884 5.077 ( -0.000 -5.517 -0.775) 5.571 ======================= Grid point 738 (243/288) ======================= q-point: (-0.29 -0.36 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 3.695 2.755 0.160) 4.612 1.831 ( 8.948 7.225 5.144) 12.599 2.270 ( 1.731 -0.836 -2.752) 3.357 2.430 ( 1.106 0.533 2.224) 2.540 2.576 ( -1.297 -4.393 3.497) 5.763 3.380 ( -2.814 0.906 -6.827) 7.439 3.916 ( 1.832 0.184 0.207) 1.853 3.988 ( -1.409 -0.028 0.237) 1.429 4.179 ( 6.042 -0.269 1.037) 6.136 4.341 ( -0.846 0.528 -1.313) 1.649 4.854 ( -1.962 5.146 -0.389) 5.521 5.003 ( -2.350 -3.800 0.634) 4.512 ======================= Grid point 753 (244/288) ======================= q-point: (-0.29 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 0.000 3.989 4.407) 5.944 1.825 ( 0.000 7.266 6.634) 9.839 2.223 ( -0.000 -3.452 -4.228) 5.459 2.415 ( 0.000 -2.242 3.032) 3.771 2.564 ( 0.000 -2.474 1.668) 2.983 3.365 ( -0.000 -2.568 -9.542) 9.882 3.908 ( 0.000 0.234 1.059) 1.084 4.008 ( -0.000 -0.022 -0.846) 0.846 4.106 ( 0.000 -1.090 1.994) 2.272 4.361 ( -0.000 1.784 -1.668) 2.442 4.906 ( -0.000 -0.497 -0.539) 0.733 5.012 ( 0.000 2.872 1.590) 3.283 ======================= Grid point 860 (245/288) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 0.000 -0.000 16.371) 16.371 0.708 ( 0.000 -0.000 16.371) 16.371 1.225 ( 0.000 -0.000 29.781) 29.781 1.902 ( -0.000 0.000 -6.690) 6.690 1.902 ( -0.000 0.000 -6.690) 6.690 3.365 ( -0.000 0.000 -18.979) 18.979 3.696 ( -0.000 0.000 -0.701) 0.701 3.696 ( -0.000 0.000 -0.701) 0.701 3.945 ( 0.000 -0.000 1.284) 1.284 3.945 ( 0.000 -0.000 1.284) 1.284 5.232 ( 0.000 -0.000 7.158) 7.158 5.895 ( -0.000 0.000 -1.719) 1.719 ======================= Grid point 861 (246/288) ======================= q-point: ( 0.36 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 1.534 0.886 15.416) 15.517 0.906 ( 5.743 3.316 17.826) 19.020 1.378 ( 5.687 3.283 12.328) 13.967 1.929 ( 6.913 3.992 -0.584) 8.004 1.940 ( 2.781 1.606 -6.303) 7.074 3.094 ( -6.799 -3.926 -9.661) 12.449 3.700 ( 0.334 0.193 -0.944) 1.019 3.941 ( -0.318 -0.183 1.428) 1.475 4.011 ( 7.647 4.415 1.514) 8.958 4.185 ( 22.153 12.790 -15.386) 29.851 5.234 ( -1.678 -0.969 5.907) 6.217 5.752 ( -11.089 -6.402 -0.821) 12.831 ======================= Grid point 862 (247/288) ======================= q-point: ( 0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 6.882 3.973 11.420) 13.913 1.048 ( 2.045 1.181 18.594) 18.743 1.546 ( 9.431 5.445 -9.687) 14.575 1.992 ( 3.229 1.864 -5.478) 6.627 2.214 ( 14.541 8.395 8.814) 18.964 3.011 ( 0.983 0.567 -7.575) 7.660 3.709 ( 0.788 0.455 -1.282) 1.572 3.940 ( -0.150 -0.087 1.568) 1.578 4.167 ( 5.281 3.049 0.715) 6.139 4.553 ( 12.448 7.187 -11.126) 18.177 5.192 ( -3.113 -1.797 4.873) 6.055 5.424 ( -15.860 -9.157 -1.738) 18.395 ======================= Grid point 863 (248/288) ======================= q-point: ( 0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 9.389 5.421 7.150) 12.987 1.157 ( 4.381 2.530 10.706) 11.841 1.767 ( 11.451 6.611 -7.840) 15.372 2.056 ( 3.489 2.014 -4.157) 5.788 2.571 ( 12.878 7.435 5.839) 15.975 3.069 ( 5.095 2.942 -3.830) 7.020 3.733 ( 1.726 0.997 -1.441) 2.460 3.945 ( 0.185 0.107 1.541) 1.556 4.247 ( 1.803 1.041 -1.268) 2.438 4.705 ( 2.936 1.695 -5.278) 6.273 5.014 ( -16.921 -9.769 2.609) 19.712 5.164 ( -1.298 -0.749 -0.526) 1.588 ======================= Grid point 864 (249/288) ======================= q-point: ( 0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 9.335 5.390 3.483) 11.328 1.323 ( 7.467 4.311 5.502) 10.228 2.012 ( 10.753 6.208 -3.181) 12.818 2.127 ( 3.432 1.982 -2.284) 4.574 2.804 ( 5.895 3.403 0.515) 6.826 3.198 ( 5.672 3.275 -0.670) 6.584 3.780 ( 2.589 1.495 -1.395) 3.299 3.958 ( 0.569 0.329 1.374) 1.523 4.254 ( -0.603 -0.348 -1.398) 1.561 4.622 ( -11.949 -6.899 -3.902) 14.339 4.722 ( -2.955 -1.706 1.278) 3.644 5.162 ( -0.060 -0.034 1.777) 1.778 ======================= Grid point 865 (250/288) ======================= q-point: ( 0.64 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 7.924 4.575 1.344) 9.247 1.525 ( 7.609 4.393 0.311) 8.792 2.196 ( 2.638 1.523 0.016) 3.046 2.237 ( 8.795 5.078 -0.635) 10.176 2.832 ( -3.197 -1.846 -3.276) 4.935 3.301 ( 3.023 1.745 2.014) 4.030 3.839 ( 2.663 1.538 -1.258) 3.322 3.978 ( 0.779 0.450 1.161) 1.469 4.217 ( -2.447 -1.413 -0.490) 2.868 4.390 ( -5.785 -3.340 -1.265) 6.799 4.716 ( 1.897 1.095 0.283) 2.208 5.145 ( -2.040 -1.178 1.235) 2.659 ======================= Grid point 866 (251/288) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 5.373 3.102 -2.335) 6.629 1.689 ( 6.967 4.022 -3.248) 8.676 2.240 ( 0.511 0.295 2.307) 2.381 2.397 ( 4.532 2.616 -0.364) 5.245 2.681 ( -6.863 -3.962 -5.285) 9.525 3.357 ( 0.567 0.328 7.116) 7.146 3.888 ( 1.725 0.996 -1.118) 2.284 3.998 ( 0.597 0.345 0.956) 1.179 4.150 ( -2.443 -1.410 -1.378) 3.139 4.334 ( -0.013 -0.007 0.874) 0.874 4.807 ( 5.316 3.069 0.236) 6.143 5.074 ( -3.977 -2.296 -0.113) 4.594 ======================= Grid point 875 (252/288) ======================= q-point: ( 0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 0.000 7.388 15.062) 16.776 0.948 ( 0.000 9.163 10.003) 13.565 1.451 ( 0.000 6.613 16.771) 18.027 1.822 ( -0.000 -1.297 -5.470) 5.622 1.977 ( -0.000 7.739 -3.093) 8.334 3.069 ( -0.000 -7.643 -9.980) 12.570 3.688 ( -0.000 -0.062 -0.518) 0.522 3.935 ( 0.000 7.945 0.105) 7.946 3.956 ( 0.000 0.156 0.935) 0.948 4.188 ( -0.000 22.245 -10.472) 24.587 5.251 ( 0.000 -2.305 5.480) 5.945 5.768 ( -0.000 -9.970 -1.830) 10.137 ======================= Grid point 876 (253/288) ======================= q-point: ( 0.43 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -1.007 10.629 10.094) 14.693 1.131 ( 3.298 8.446 14.323) 16.952 1.500 ( -1.763 7.053 -4.627) 8.617 1.908 ( 7.279 1.206 -5.046) 8.939 2.121 ( 7.837 9.998 6.470) 14.257 2.981 ( -0.338 -1.078 -7.371) 7.457 3.706 ( 1.092 0.899 -0.603) 1.538 3.924 ( -0.446 -0.551 0.459) 0.845 4.109 ( 6.185 4.405 1.903) 7.828 4.429 ( 8.173 13.972 -9.917) 18.983 5.217 ( -1.669 -4.328 4.645) 6.564 5.559 ( -10.202 -10.439 -2.840) 14.870 ======================= Grid point 877 (254/288) ======================= q-point: ( 0.50 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 3.344 10.545 5.245) 12.243 1.258 ( -2.884 9.649 15.090) 18.142 1.629 ( 9.357 8.694 -8.612) 15.405 2.001 ( 4.251 2.482 -6.952) 8.518 2.439 ( 12.504 8.584 6.738) 16.596 3.000 ( 3.662 2.155 -3.981) 5.823 3.734 ( 0.483 2.564 -0.771) 2.721 3.924 ( 1.255 -1.253 0.587) 1.868 4.220 ( 2.559 1.926 -0.313) 3.218 4.635 ( 6.083 4.732 -4.883) 9.124 5.140 ( -3.344 -8.844 7.263) 11.923 5.233 ( -13.194 -5.243 -6.207) 15.495 ======================= Grid point 878 (255/288) ======================= q-point: ( 0.57 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 5.867 9.394 2.199) 11.292 1.379 ( -0.493 12.635 11.488) 17.084 1.883 ( 10.868 8.190 -3.277) 13.998 2.081 ( 4.103 3.001 -5.573) 7.543 2.707 ( 8.869 3.828 0.828) 9.695 3.111 ( 6.273 2.568 -1.094) 6.866 3.775 ( 0.909 3.706 -0.914) 3.923 3.943 ( 1.527 -0.394 0.932) 1.832 4.246 ( 0.267 -0.533 -1.199) 1.339 4.689 ( -0.989 -0.170 -4.245) 4.362 4.840 ( -14.178 -7.650 1.013) 16.142 5.140 ( 0.912 -2.971 2.156) 3.783 ======================= Grid point 879 (256/288) ======================= q-point: ( 0.64 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 5.796 8.891 1.877) 10.778 1.542 ( 0.900 12.334 6.583) 14.010 2.129 ( 8.792 6.089 -0.399) 10.702 2.173 ( 4.219 4.182 -3.297) 6.794 2.816 ( 2.077 -1.540 -2.579) 3.652 3.228 ( 5.558 0.150 -0.679) 5.601 3.832 ( 1.254 4.153 -0.912) 4.433 3.971 ( 1.029 0.554 1.179) 1.660 4.225 ( -0.600 -1.900 -0.532) 2.063 4.513 ( -11.209 -1.585 -2.954) 11.699 4.705 ( -0.126 -0.652 0.942) 1.152 5.133 ( 0.845 -4.206 2.457) 4.944 ======================= Grid point 880 (257/288) ======================= q-point: ( 0.71 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 2.761 7.081 2.699) 8.066 1.692 ( 1.856 11.593 -1.045) 11.787 2.241 ( 1.827 2.879 0.311) 3.424 2.337 ( 6.401 4.794 -0.406) 8.008 2.730 ( -5.461 -4.927 -5.506) 9.188 3.316 ( 5.039 -1.548 3.114) 6.122 3.889 ( 0.669 3.722 -0.712) 3.848 3.989 ( 0.333 -0.290 0.777) 0.894 4.194 ( -1.508 0.204 -0.284) 1.548 4.366 ( -4.674 0.743 -0.588) 4.769 4.748 ( 3.912 1.537 0.664) 4.255 5.087 ( -1.385 -5.000 1.045) 5.293 ======================= Grid point 890 (258/288) ======================= q-point: ( 0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 0.000 12.595 9.958) 16.055 1.170 ( 0.000 9.299 0.014) 9.299 1.651 ( -0.000 9.698 -7.123) 12.033 1.804 ( 0.000 1.615 0.318) 1.646 2.181 ( 0.000 11.280 7.803) 13.716 2.958 ( -0.000 0.398 -5.009) 5.025 3.690 ( -0.000 0.651 -0.378) 0.753 3.963 ( 0.000 0.138 0.480) 0.499 4.093 ( 0.000 6.600 2.420) 7.030 4.472 ( -0.000 10.859 -5.715) 12.271 5.184 ( 0.000 -8.062 4.363) 9.167 5.532 ( -0.000 -9.587 -5.963) 11.290 ======================= Grid point 891 (259/288) ======================= q-point: ( 0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -1.769 10.632 -0.217) 10.780 1.387 ( 6.599 10.355 5.403) 13.415 1.650 ( -3.460 11.689 -5.436) 13.348 1.910 ( 5.555 2.465 -5.865) 8.446 2.392 ( 6.519 11.484 9.222) 16.107 2.974 ( 1.284 2.935 -1.610) 3.585 3.726 ( 2.514 1.335 -0.154) 2.851 3.932 ( -2.365 0.988 -0.048) 2.564 4.196 ( 2.871 2.958 1.025) 4.247 4.582 ( 4.116 4.675 -1.261) 6.355 5.086 ( -1.001 -11.997 4.702) 12.924 5.355 ( -8.199 -5.323 -8.017) 12.642 ======================= Grid point 892 (260/288) ======================= q-point: ( 0.57 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 3.207 10.387 -1.495) 10.973 1.586 ( -0.005 13.932 9.318) 16.761 1.798 ( 7.304 11.219 -2.823) 13.681 2.000 ( 5.079 2.283 -7.883) 9.651 2.623 ( 6.094 6.403 3.104) 9.368 3.052 ( 3.620 3.531 1.239) 5.206 3.790 ( 2.141 2.889 0.140) 3.599 3.924 ( 0.286 1.351 -0.297) 1.412 4.235 ( 0.164 -0.224 -0.464) 0.541 4.667 ( 2.429 0.001 -0.280) 2.445 4.931 ( -4.623 -12.515 3.242) 13.729 5.150 ( -6.881 -1.550 -4.962) 8.624 ======================= Grid point 893 (261/288) ======================= q-point: ( 0.64 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 5.455 10.887 0.096) 12.177 1.743 ( -2.789 15.702 10.412) 19.046 2.044 ( 9.215 7.698 -1.536) 12.105 2.105 ( 6.223 4.184 -6.734) 10.078 2.740 ( 3.519 -0.062 -1.024) 3.666 3.147 ( 3.541 0.945 0.180) 3.669 3.856 ( 1.324 4.160 -0.123) 4.367 3.961 ( 1.621 1.940 0.442) 2.567 4.210 ( -0.784 -2.400 -0.462) 2.567 4.660 ( -4.069 -0.173 -3.004) 5.060 4.724 ( -5.710 -4.793 1.402) 7.586 5.068 ( 0.402 -4.967 1.230) 5.133 ======================= Grid point 894 (262/288) ======================= q-point: ( 0.71 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 4.015 10.403 0.610) 11.167 1.860 ( -3.790 14.027 7.126) 16.184 2.219 ( 5.390 4.611 -3.160) 7.765 2.275 ( 6.621 6.440 -0.853) 9.276 2.730 ( -1.659 -4.115 -4.388) 6.240 3.204 ( 4.754 -2.318 0.780) 5.346 3.917 ( 1.001 4.021 -0.484) 4.172 3.996 ( -0.482 1.232 0.629) 1.465 4.182 ( 1.000 -1.925 0.278) 2.187 4.510 ( -8.956 2.343 -1.888) 9.448 4.708 ( 2.194 0.153 1.012) 2.422 5.031 ( 1.068 -6.766 1.562) 7.025 ======================= Grid point 906 (263/288) ======================= q-point: ( 0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -0.000 7.965 -7.796) 11.145 1.385 ( -0.000 9.753 -1.645) 9.891 1.786 ( -0.000 11.397 -11.645) 16.294 1.897 ( 0.000 5.197 6.122) 8.030 2.497 ( 0.000 13.134 10.337) 16.713 3.000 ( 0.000 4.264 1.443) 4.501 3.714 ( 0.000 1.858 -0.092) 1.860 3.969 ( -0.000 0.333 -0.075) 0.341 4.205 ( 0.000 3.300 1.085) 3.474 4.577 ( 0.000 0.704 2.687) 2.777 4.973 ( 0.000 -13.518 2.067) 13.675 5.353 ( -0.000 -3.719 -9.089) 9.821 ======================= Grid point 907 (264/288) ======================= q-point: ( 0.57 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 0.587 8.799 -5.895) 10.607 1.571 ( 10.382 7.363 -7.439) 14.742 1.887 ( 0.434 13.416 -2.895) 13.731 1.974 ( 0.402 5.429 3.492) 6.467 2.657 ( 0.964 9.068 5.918) 10.871 3.065 ( 0.951 5.029 4.074) 6.541 3.764 ( 2.919 2.431 0.315) 3.812 3.956 ( -1.379 1.456 -0.467) 2.059 4.234 ( -0.036 0.593 -0.085) 0.601 4.604 ( 3.278 -3.777 4.484) 6.717 4.842 ( -0.642 -11.172 0.104) 11.191 5.242 ( -5.888 -2.000 -7.543) 9.775 ======================= Grid point 908 (265/288) ======================= q-point: ( 0.64 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 5.502 10.168 -1.798) 11.700 1.831 ( 13.400 6.948 -7.946) 17.058 2.010 ( -1.715 9.179 5.659) 10.919 2.075 ( 3.667 9.610 -1.038) 10.338 2.726 ( -0.619 2.074 2.200) 3.086 3.137 ( 0.413 3.281 2.382) 4.076 3.852 ( 3.310 3.060 0.715) 4.564 3.966 ( 0.518 2.568 -0.561) 2.679 4.210 ( -1.712 -1.741 -0.372) 2.470 4.632 ( 3.689 -5.105 3.041) 6.994 4.735 ( -1.763 -5.694 -1.097) 6.061 5.090 ( -6.559 -1.909 -3.508) 7.680 ======================= Grid point 909 (266/288) ======================= q-point: ( 0.71 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 6.017 10.421 -0.000) 12.033 2.064 ( 2.058 3.565 0.000) 4.117 2.116 ( 6.988 12.104 -0.000) 13.977 2.248 ( 4.828 8.363 -0.000) 9.657 2.708 ( -1.353 -2.344 -0.000) 2.706 3.148 ( -0.424 -0.734 -0.000) 0.848 3.926 ( 1.525 2.642 -0.000) 3.051 4.016 ( 1.572 2.723 -0.000) 3.145 4.156 ( -1.308 -2.266 -0.000) 2.617 4.647 ( -1.472 -2.549 -0.000) 2.944 4.664 ( 0.292 0.505 -0.000) 0.584 4.971 ( -2.593 -4.490 -0.000) 5.185 ======================= Grid point 922 (267/288) ======================= q-point: ( 0.57 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -0.000 7.418 -7.126) 10.286 1.485 ( -0.000 5.767 -11.085) 12.495 2.001 ( -0.000 12.998 -2.275) 13.195 2.055 ( 0.000 6.244 5.484) 8.310 2.758 ( 0.000 6.195 5.395) 8.215 3.135 ( 0.000 6.796 6.024) 9.082 3.763 ( 0.000 2.925 0.359) 2.947 3.976 ( -0.000 0.648 -0.579) 0.869 4.242 ( -0.000 0.288 -0.305) 0.419 4.520 ( 0.000 -8.962 5.840) 10.697 4.761 ( -0.000 -5.318 -2.278) 5.785 5.249 ( -0.000 -2.353 -6.728) 7.128 ======================= Grid point 923 (268/288) ======================= q-point: ( 0.64 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 3.655 8.647 -3.006) 9.857 1.620 ( 10.801 4.528 -10.163) 15.507 2.126 ( 0.352 8.578 1.745) 8.761 2.141 ( 1.133 9.457 2.106) 9.755 2.784 ( -2.161 0.001 4.364) 4.869 3.209 ( -1.726 6.171 3.511) 7.307 3.825 ( 3.046 3.160 0.720) 4.448 3.980 ( -0.038 1.170 -0.758) 1.394 4.224 ( -1.362 -1.259 -0.365) 1.890 4.482 ( 4.419 -8.821 3.674) 10.527 4.719 ( -0.609 -0.914 -1.853) 2.154 5.164 ( -4.625 -2.397 -4.246) 6.720 ======================= Grid point 939 (269/288) ======================= q-point: (-0.36 -0.36 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -0.000 7.091 -2.383) 7.481 1.548 ( -0.000 6.380 -5.430) 8.378 2.189 ( 0.000 4.409 1.673) 4.716 2.235 ( 0.000 10.410 -0.296) 10.414 2.794 ( 0.000 -4.878 5.143) 7.089 3.305 ( 0.000 6.201 1.083) 6.295 3.829 ( 0.000 3.062 0.811) 3.168 3.987 ( -0.000 0.856 -0.863) 1.216 4.214 ( -0.000 -3.079 0.157) 3.083 4.376 ( 0.000 -5.287 1.670) 5.544 4.724 ( -0.000 1.942 -1.341) 2.360 5.164 ( -0.000 -3.388 -2.887) 4.452 ======================= Grid point 1078 (270/288) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.000 -0.000 12.858) 12.858 0.842 ( 0.000 -0.000 12.858) 12.858 1.474 ( 0.000 -0.000 24.560) 24.560 1.841 ( -0.000 0.000 -6.370) 6.370 1.841 ( -0.000 0.000 -6.370) 6.370 3.196 ( -0.000 0.000 -17.621) 17.621 3.690 ( -0.000 0.000 -0.500) 0.500 3.690 ( -0.000 0.000 -0.500) 0.500 3.955 ( 0.000 -0.000 0.967) 0.967 3.955 ( 0.000 -0.000 0.967) 0.967 5.290 ( 0.000 -0.000 5.544) 5.544 5.880 ( -0.000 0.000 -1.577) 1.577 ======================= Grid point 1079 (271/288) ======================= q-point: ( 0.43 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 1.069 0.617 13.447) 13.503 1.043 ( 8.911 5.145 11.625) 15.525 1.456 ( -5.144 -2.970 5.498) 8.094 1.880 ( 2.950 1.703 -6.712) 7.527 1.950 ( 11.172 6.450 4.660) 13.716 3.003 ( -5.382 -3.107 -9.727) 11.543 3.692 ( 0.183 0.106 -0.730) 0.760 3.953 ( -0.212 -0.122 1.105) 1.131 4.025 ( 10.669 6.160 1.530) 12.415 4.071 ( 17.066 9.853 -9.735) 21.980 5.281 ( -2.091 -1.208 4.352) 4.977 5.743 ( -10.776 -6.222 -0.891) 12.475 ======================= Grid point 1080 (272/288) ======================= q-point: ( 0.50 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 5.468 3.157 11.630) 13.234 1.220 ( -0.480 -0.277 18.778) 18.786 1.448 ( 9.284 5.360 -11.419) 15.663 1.937 ( 3.681 2.125 -6.500) 7.766 2.283 ( 14.409 8.319 5.593) 17.553 2.946 ( 2.011 1.161 -6.165) 6.587 3.698 ( 0.664 0.383 -0.952) 1.223 3.953 ( -0.085 -0.049 1.195) 1.199 4.167 ( 4.583 2.646 -0.873) 5.364 4.469 ( 14.212 8.205 -7.047) 17.860 5.228 ( -3.124 -1.804 2.706) 4.510 5.418 ( -16.180 -9.342 0.552) 18.691 ======================= Grid point 1081 (273/288) ======================= q-point: ( 0.57 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 7.784 4.494 8.741) 12.538 1.261 ( 2.216 1.279 11.339) 11.624 1.713 ( 13.010 7.511 -3.724) 15.477 2.011 ( 4.244 2.450 -5.646) 7.476 2.600 ( 11.422 6.594 0.291) 13.192 3.035 ( 6.250 3.609 -3.246) 7.914 3.722 ( 1.669 0.964 -0.995) 2.169 3.957 ( 0.192 0.111 1.151) 1.172 4.234 ( 1.659 0.958 -1.665) 2.539 4.655 ( 3.390 1.957 -5.439) 6.701 5.013 ( -16.089 -9.289 -1.898) 18.675 5.197 ( -1.779 -1.027 6.805) 7.108 ======================= Grid point 1082 (274/288) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 7.754 4.477 5.598) 10.560 1.391 ( 5.638 3.255 9.196) 11.268 1.994 ( 11.537 6.661 -0.709) 13.341 2.099 ( 4.479 2.586 -4.007) 6.543 2.795 ( 5.145 2.970 -2.601) 6.485 3.179 ( 6.265 3.617 -3.476) 8.027 3.769 ( 2.569 1.483 -0.910) 3.103 3.969 ( 0.545 0.315 1.021) 1.200 4.244 ( -0.258 -0.149 -0.690) 0.751 4.574 ( -9.218 -5.322 -5.972) 12.205 4.740 ( -4.554 -2.629 2.269) 5.727 5.194 ( -0.867 -0.501 5.063) 5.161 ======================= Grid point 1094 (275/288) ======================= q-point: ( 0.43 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 0.000 7.082 13.550) 15.289 1.013 ( 0.000 6.593 3.936) 7.678 1.551 ( 0.000 -1.062 4.593) 4.714 1.785 ( -0.000 -0.024 -2.202) 2.202 1.972 ( 0.000 10.938 2.230) 11.163 2.980 ( -0.000 -5.446 -8.977) 10.500 3.685 ( -0.000 -0.070 -0.207) 0.219 3.940 ( 0.000 11.097 1.153) 11.157 3.962 ( 0.000 0.089 0.455) 0.464 4.114 ( -0.000 18.029 -6.088) 19.030 5.293 ( 0.000 -2.653 3.620) 4.488 5.751 ( -0.000 -10.723 -1.617) 10.844 ======================= Grid point 1095 (276/288) ======================= q-point: ( 0.50 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -1.006 7.249 8.110) 10.924 1.236 ( 9.713 7.674 8.005) 14.742 1.453 ( -7.108 3.841 -4.615) 9.304 1.858 ( 5.025 1.180 -4.929) 7.137 2.184 ( 8.839 11.474 6.107) 15.718 2.921 ( 0.119 0.471 -5.278) 5.301 3.702 ( 0.887 1.049 -0.332) 1.413 3.927 ( -0.379 -0.717 0.250) 0.849 4.126 ( 5.042 4.358 1.532) 6.838 4.358 ( 8.622 16.037 -5.567) 19.039 5.252 ( -1.682 -3.925 2.853) 5.136 5.537 ( -9.533 -12.527 -1.896) 15.855 ======================= Grid point 1096 (277/288) ======================= q-point: ( 0.57 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 3.888 6.468 5.443) 9.304 1.380 ( -3.545 8.511 10.365) 13.872 1.570 ( 11.669 10.101 -3.120) 15.745 1.937 ( 4.588 1.935 -6.603) 8.271 2.477 ( 10.299 8.610 1.240) 13.481 2.971 ( 4.053 3.781 -2.176) 5.955 3.729 ( 0.203 2.801 -0.487) 2.850 3.929 ( 1.655 -1.617 0.351) 2.340 4.215 ( 1.733 2.175 -0.799) 2.894 4.599 ( 5.695 6.375 -3.097) 9.092 5.177 ( -9.798 -4.150 -5.075) 11.789 5.210 ( -5.272 -11.387 7.290) 14.512 ======================= Grid point 1097 (278/288) ======================= q-point: ( 0.64 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 6.377 6.864 4.426) 10.362 1.484 ( -1.208 12.469 11.122) 16.752 1.868 ( 11.443 8.682 0.322) 14.367 2.025 ( 5.354 2.459 -6.460) 8.744 2.698 ( 7.754 3.895 -2.815) 9.122 3.095 ( 5.607 3.555 -2.496) 7.093 3.768 ( 0.725 3.848 -0.647) 3.969 3.951 ( 1.824 -0.524 0.708) 2.025 4.237 ( 0.262 -0.216 -0.658) 0.740 4.647 ( -2.960 0.560 -4.873) 5.729 4.844 ( -12.091 -6.867 -0.037) 13.905 5.179 ( 1.461 -4.658 5.987) 7.725 ======================= Grid point 1110 (279/288) ======================= q-point: ( 0.50 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -0.000 6.908 -6.096) 9.213 1.217 ( 0.000 8.770 11.605) 14.546 1.549 ( -0.000 5.987 -14.376) 15.573 1.827 ( 0.000 3.388 4.398) 5.551 2.258 ( 0.000 13.533 7.773) 15.606 2.919 ( -0.000 2.453 -3.177) 4.014 3.689 ( 0.000 0.633 0.067) 0.637 3.965 ( -0.000 0.064 -0.096) 0.116 4.120 ( 0.000 5.996 3.343) 6.865 4.433 ( -0.000 13.831 -2.569) 14.068 5.218 ( 0.000 -7.386 3.122) 8.019 5.479 ( -0.000 -12.499 -5.470) 13.644 ======================= Grid point 1111 (280/288) ======================= q-point: ( 0.57 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 0.101 7.187 -3.157) 7.850 1.418 ( 9.181 5.829 1.118) 10.933 1.593 ( -0.106 13.702 -6.717) 15.260 1.893 ( 1.295 3.676 2.224) 4.487 2.459 ( 4.390 11.912 5.044) 13.661 2.963 ( 1.493 5.061 -0.425) 5.294 3.726 ( 2.502 1.452 0.144) 2.897 3.931 ( -2.446 0.805 -0.159) 2.580 4.206 ( 1.956 2.523 1.088) 3.373 4.580 ( 3.689 7.019 0.912) 7.981 5.130 ( 0.010 -12.615 5.063) 13.593 5.281 ( -7.775 -6.746 -8.055) 13.071 ======================= Grid point 1112 (281/288) ======================= q-point: ( 0.64 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 5.044 8.736 -0.000) 10.088 1.634 ( 6.061 10.498 -0.000) 12.122 1.785 ( 6.990 12.107 -0.000) 13.980 1.959 ( 2.047 3.545 -0.000) 4.093 2.637 ( 3.897 6.750 -0.000) 7.794 3.058 ( 2.845 4.928 -0.000) 5.691 3.790 ( 1.859 3.220 -0.000) 3.718 3.922 ( 0.625 1.082 -0.000) 1.250 4.233 ( -0.126 -0.218 -0.000) 0.252 4.666 ( 0.733 1.270 -0.000) 1.467 4.948 ( -7.195 -12.461 -0.000) 14.389 5.125 ( -1.848 -3.200 -0.000) 3.695 ======================= Grid point 1126 (282/288) ======================= q-point: ( 0.57 0.57 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -0.000 7.891 -9.091) 12.038 1.348 ( -0.000 3.952 -7.069) 8.099 1.711 ( -0.000 14.641 -4.040) 15.188 1.955 ( 0.000 5.416 6.496) 8.458 2.574 ( 0.000 12.614 6.005) 13.970 3.013 ( 0.000 6.683 1.727) 6.902 3.715 ( 0.000 1.881 0.459) 1.936 3.965 ( -0.000 0.263 -0.640) 0.691 4.218 ( 0.000 2.367 1.660) 2.891 4.610 ( 0.000 2.846 4.396) 5.237 4.993 ( 0.000 -15.886 2.325) 16.056 5.271 ( -0.000 -3.310 -8.886) 9.483 ======================= Grid point 1300 (283/288) ======================= q-point: ( 0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 0.000 -0.000 7.389) 7.389 0.936 ( 0.000 -0.000 7.389) 7.389 1.658 ( 0.000 -0.000 14.968) 14.968 1.792 ( -0.000 0.000 -4.137) 4.137 1.792 ( -0.000 0.000 -4.137) 4.137 3.059 ( -0.000 0.000 -11.567) 11.567 3.687 ( -0.000 0.000 -0.257) 0.257 3.687 ( -0.000 0.000 -0.257) 0.257 3.962 ( 0.000 -0.000 0.516) 0.516 3.962 ( 0.000 -0.000 0.516) 0.516 5.330 ( 0.000 -0.000 3.051) 3.051 5.868 ( -0.000 0.000 -0.974) 0.974 ======================= Grid point 1301 (284/288) ======================= q-point: ( 0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 1.674 0.967 9.552) 9.745 1.101 ( 10.252 5.919 0.735) 11.861 1.498 ( -9.690 -5.595 4.860) 12.199 1.823 ( 2.573 1.486 -5.547) 6.292 1.994 ( 12.330 7.119 3.642) 14.696 2.932 ( -3.946 -2.278 -5.149) 6.876 3.687 ( 0.059 0.034 -0.439) 0.445 3.961 ( -0.103 -0.060 0.631) 0.642 3.997 ( 17.682 10.209 -5.761) 21.215 4.046 ( 8.245 4.760 2.173) 9.766 5.310 ( -2.297 -1.326 1.905) 3.266 5.738 ( -10.410 -6.010 -0.243) 12.022 ======================= Grid point 1302 (285/288) ======================= q-point: ( 0.57 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 5.102 2.946 9.992) 11.600 1.319 ( 0.731 0.422 -8.278) 8.321 1.408 ( 8.654 4.997 13.840) 17.071 1.877 ( 3.683 2.126 -6.393) 7.678 2.303 ( 13.169 7.603 -1.473) 15.278 2.910 ( 2.606 1.505 -1.549) 3.384 3.692 ( 0.581 0.336 -0.525) 0.853 3.961 ( -0.015 -0.008 0.677) 0.677 4.149 ( 4.580 2.644 -2.818) 5.992 4.429 ( 13.892 8.020 -1.775) 16.139 5.237 ( -4.716 -2.723 -0.695) 5.489 5.437 ( -13.927 -8.041 3.623) 16.485 ======================= Grid point 1316 (286/288) ======================= q-point: ( 0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -0.000 3.876 -3.401) 5.156 1.060 ( 0.000 9.162 8.888) 12.764 1.545 ( -0.000 -7.768 -4.368) 8.912 1.786 ( 0.000 1.699 2.259) 2.827 2.000 ( 0.000 13.227 2.254) 13.418 2.922 ( -0.000 -4.122 -3.057) 5.132 3.684 ( 0.000 -0.028 0.118) 0.121 3.958 ( 0.000 15.166 3.016) 15.463 3.964 ( -0.000 -0.005 -0.088) 0.088 4.072 ( -0.000 13.746 -3.548) 14.196 5.314 ( 0.000 -2.738 0.988) 2.911 5.740 ( -0.000 -11.441 -0.792) 11.469 ======================= Grid point 1317 (287/288) ======================= q-point: ( 0.57 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 2.233 3.868 -0.000) 4.466 1.270 ( 7.062 12.232 -0.000) 14.124 1.432 ( -1.589 -2.753 -0.000) 3.179 1.833 ( 1.559 2.700 -0.000) 3.118 2.215 ( 7.278 12.606 -0.000) 14.556 2.895 ( 0.566 0.981 -0.000) 1.133 3.701 ( 0.679 1.176 -0.000) 1.358 3.929 ( -0.424 -0.734 -0.000) 0.848 4.133 ( 2.914 5.048 0.000) 5.829 4.332 ( 9.536 16.518 -0.000) 19.073 5.266 ( -1.990 -3.447 -0.000) 3.980 5.528 ( -8.128 -14.078 -0.000) 16.256 ======================= Grid point 1527 (288/288) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 8.27e-07 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 0.000 -0.000 0.000) 0.000 0.970 ( 0.000 -0.000 0.000) 0.000 1.729 ( 0.000 -0.000 0.000) 0.000 1.772 ( 0.000 -0.000 0.000) 0.000 1.772 ( 0.000 -0.000 0.000) 0.000 3.004 ( 0.000 -0.000 0.000) 0.000 3.686 ( 0.000 -0.000 0.000) 0.000 3.686 ( 0.000 -0.000 0.000) 0.000 3.964 ( 0.000 -0.000 0.000) 0.000 3.964 ( 0.000 -0.000 0.000) 0.000 5.344 ( 0.000 -0.000 0.000) 0.000 5.864 ( 0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32928 10.0 368.107 368.107 805.280 -0.000 0.000 0.000 3/32928 20.0 120.448 120.448 111.851 -0.000 0.000 0.000 3/32928 30.0 57.347 57.347 43.179 -0.000 0.000 0.000 3/32928 40.0 34.671 34.671 24.717 -0.000 0.000 0.000 3/32928 50.0 24.287 24.287 17.026 -0.000 0.000 0.000 3/32928 60.0 18.645 18.645 12.986 -0.000 0.000 0.000 3/32928 70.0 15.173 15.173 10.532 -0.000 0.000 0.000 3/32928 80.0 12.835 12.835 8.889 -0.000 0.000 0.000 3/32928 90.0 11.153 11.153 7.711 -0.000 0.000 0.000 3/32928 100.0 9.881 9.881 6.822 -0.000 0.000 0.000 3/32928 110.0 8.884 8.884 6.126 -0.000 0.000 0.000 3/32928 120.0 8.079 8.079 5.565 -0.000 0.000 0.000 3/32928 130.0 7.414 7.414 5.102 -0.000 0.000 0.000 3/32928 140.0 6.854 6.854 4.712 -0.000 0.000 0.000 3/32928 150.0 6.376 6.376 4.380 -0.000 0.000 0.000 3/32928 160.0 5.962 5.962 4.093 -0.000 0.000 0.000 3/32928 170.0 5.600 5.600 3.843 -0.000 0.000 0.000 3/32928 180.0 5.281 5.281 3.622 -0.000 0.000 0.000 3/32928 190.0 4.997 4.997 3.426 -0.000 0.000 0.000 3/32928 200.0 4.743 4.743 3.250 -0.000 0.000 0.000 3/32928 210.0 4.514 4.514 3.092 -0.000 0.000 0.000 3/32928 220.0 4.306 4.306 2.948 -0.000 0.000 0.000 3/32928 230.0 4.117 4.117 2.818 -0.000 0.000 0.000 3/32928 240.0 3.945 3.945 2.699 -0.000 0.000 0.000 3/32928 250.0 3.786 3.786 2.590 -0.000 0.000 0.000 3/32928 260.0 3.640 3.640 2.489 -0.000 0.000 0.000 3/32928 270.0 3.504 3.504 2.396 -0.000 0.000 0.000 3/32928 280.0 3.379 3.379 2.310 -0.000 0.000 0.000 3/32928 290.0 3.262 3.262 2.229 -0.000 0.000 0.000 3/32928 300.0 3.153 3.153 2.155 -0.000 0.000 0.000 3/32928 310.0 3.052 3.052 2.085 -0.000 0.000 0.000 3/32928 320.0 2.956 2.956 2.019 -0.000 0.000 0.000 3/32928 330.0 2.867 2.867 1.958 -0.000 0.000 0.000 3/32928 340.0 2.783 2.783 1.900 -0.000 0.000 0.000 3/32928 350.0 2.703 2.703 1.846 -0.000 0.000 0.000 3/32928 360.0 2.628 2.628 1.794 -0.000 0.000 0.000 3/32928 370.0 2.557 2.557 1.746 -0.000 0.000 0.000 3/32928 380.0 2.490 2.490 1.700 -0.000 0.000 0.000 3/32928 390.0 2.427 2.427 1.656 -0.000 0.000 0.000 3/32928 400.0 2.366 2.366 1.614 -0.000 0.000 0.000 3/32928 410.0 2.309 2.309 1.575 -0.000 0.000 0.000 3/32928 420.0 2.254 2.254 1.538 -0.000 0.000 0.000 3/32928 430.0 2.202 2.202 1.502 -0.000 0.000 0.000 3/32928 440.0 2.152 2.152 1.468 -0.000 0.000 0.000 3/32928 450.0 2.104 2.104 1.435 -0.000 0.000 0.000 3/32928 460.0 2.059 2.059 1.404 -0.000 0.000 0.000 3/32928 470.0 2.015 2.015 1.374 -0.000 0.000 0.000 3/32928 480.0 1.973 1.973 1.345 -0.000 0.000 0.000 3/32928 490.0 1.933 1.933 1.318 -0.000 0.000 0.000 3/32928 500.0 1.895 1.895 1.292 -0.000 0.000 0.000 3/32928 510.0 1.858 1.858 1.266 -0.000 0.000 0.000 3/32928 520.0 1.822 1.822 1.242 -0.000 0.000 0.000 3/32928 530.0 1.788 1.788 1.219 -0.000 0.000 0.000 3/32928 540.0 1.755 1.755 1.196 -0.000 0.000 0.000 3/32928 550.0 1.723 1.723 1.174 -0.000 0.000 0.000 3/32928 560.0 1.693 1.693 1.153 -0.000 0.000 0.000 3/32928 570.0 1.663 1.663 1.133 -0.000 0.000 0.000 3/32928 580.0 1.634 1.634 1.114 -0.000 0.000 0.000 3/32928 590.0 1.607 1.607 1.095 -0.000 0.000 0.000 3/32928 600.0 1.580 1.580 1.077 -0.000 0.000 0.000 3/32928 610.0 1.554 1.554 1.059 -0.000 0.000 0.000 3/32928 620.0 1.529 1.529 1.042 -0.000 0.000 0.000 3/32928 630.0 1.505 1.505 1.026 -0.000 0.000 0.000 3/32928 640.0 1.482 1.482 1.010 -0.000 0.000 0.000 3/32928 650.0 1.459 1.459 0.994 -0.000 0.000 0.000 3/32928 660.0 1.437 1.437 0.979 -0.000 0.000 0.000 3/32928 670.0 1.416 1.416 0.964 -0.000 0.000 0.000 3/32928 680.0 1.395 1.395 0.950 -0.000 0.000 0.000 3/32928 690.0 1.375 1.375 0.937 -0.000 0.000 0.000 3/32928 700.0 1.355 1.355 0.923 -0.000 0.000 0.000 3/32928 710.0 1.336 1.336 0.910 -0.000 0.000 0.000 3/32928 720.0 1.318 1.318 0.898 -0.000 0.000 0.000 3/32928 730.0 1.300 1.300 0.885 -0.000 0.000 0.000 3/32928 740.0 1.283 1.283 0.873 -0.000 0.000 0.000 3/32928 750.0 1.265 1.265 0.862 -0.000 0.000 0.000 3/32928 760.0 1.249 1.249 0.850 -0.000 0.000 0.000 3/32928 770.0 1.233 1.233 0.839 -0.000 0.000 0.000 3/32928 780.0 1.217 1.217 0.829 -0.000 0.000 0.000 3/32928 790.0 1.202 1.202 0.818 -0.000 0.000 0.000 3/32928 800.0 1.187 1.187 0.808 -0.000 0.000 0.000 3/32928 810.0 1.172 1.172 0.798 -0.000 0.000 0.000 3/32928 820.0 1.158 1.158 0.788 -0.000 0.000 0.000 3/32928 830.0 1.144 1.144 0.779 -0.000 0.000 0.000 3/32928 840.0 1.130 1.130 0.770 -0.000 0.000 0.000 3/32928 850.0 1.117 1.117 0.761 -0.000 0.000 0.000 3/32928 860.0 1.104 1.104 0.752 -0.000 0.000 0.000 3/32928 870.0 1.092 1.092 0.743 -0.000 0.000 0.000 3/32928 880.0 1.079 1.079 0.735 -0.000 0.000 0.000 3/32928 890.0 1.067 1.067 0.726 -0.000 0.000 0.000 3/32928 900.0 1.055 1.055 0.718 -0.000 0.000 0.000 3/32928 910.0 1.044 1.044 0.711 -0.000 0.000 0.000 3/32928 920.0 1.033 1.033 0.703 -0.000 0.000 0.000 3/32928 930.0 1.022 1.022 0.695 -0.000 0.000 0.000 3/32928 940.0 1.011 1.011 0.688 -0.000 0.000 0.000 3/32928 950.0 1.000 1.000 0.681 -0.000 0.000 0.000 3/32928 960.0 0.990 0.990 0.674 -0.000 0.000 0.000 3/32928 970.0 0.980 0.980 0.667 -0.000 0.000 0.000 3/32928 980.0 0.970 0.970 0.660 -0.000 0.000 0.000 3/32928 990.0 0.960 0.960 0.653 -0.000 0.000 0.000 3/32928 1000.0 0.950 0.950 0.647 -0.000 0.000 0.000 3/32928 Thermal conductivity related properties were written into "kappa-m141414.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:46:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|