----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:06:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.484177699164131 0.856890394137649 5.707695649999994 b -1.484177699164128 0.856890394137649 5.707695649999994 c 0.000000000000001 -1.713780788275301 5.707695649999994 Atomic positions (fractional): *1 O 0.10754019795414 0.10754019795414 0.10754019795414 15.999 2 O 0.89245980204586 0.89245980204586 0.89245980204586 15.999 *3 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 *4 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 -------------------------------- unit cell --------------------------------- Lattice vectors: a 2.968355398328260 0.000000000000000 0.000000000000000 b -1.484177699164130 2.570671182412950 0.000000000000000 c 0.000000000000000 0.000000000000000 17.123086950000001 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.10754019795414 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.22579313537919 15.999 > 2 3 O 0.66666666666667 0.33333333333333 0.44087353128747 15.999 > 1 4 O 0.33333333333333 0.66666666666667 0.55912646871253 15.999 > 2 5 O 0.33333333333333 0.66666666666667 0.77420686462081 15.999 > 1 6 O 0.00000000000000 0.00000000000000 0.89245980204586 15.999 > 2 *7 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 3 8 Cu 0.66666666666667 0.33333333333333 0.33333333333333 63.546 > 3 9 Cu 0.33333333333333 0.66666666666667 0.66666666666667 63.546 > 3 *10 Ga 0.33333333333333 0.66666666666667 0.16666666666667 69.723 > 4 11 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 4 12 Ga 0.66666666666667 0.33333333333333 0.83333333333333 69.723 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.905066194984780 0.000000000000000 0.000000000000000 b -4.452533097492390 7.712013547238850 0.000000000000000 c 0.000000000000000 0.000000000000000 17.123086950000001 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.10754019795414 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.10754019795414 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.10754019795414 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.10754019795414 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.10754019795414 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.10754019795414 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.10754019795414 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.10754019795414 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.10754019795414 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.22579313537919 15.999 > 2 11 O 0.55555555555556 0.11111111111111 0.22579313537919 15.999 > 2 12 O 0.88888888888889 0.11111111111111 0.22579313537919 15.999 > 2 13 O 0.22222222222222 0.44444444444444 0.22579313537919 15.999 > 2 14 O 0.55555555555556 0.44444444444444 0.22579313537919 15.999 > 2 15 O 0.88888888888889 0.44444444444444 0.22579313537919 15.999 > 2 16 O 0.22222222222222 0.77777777777778 0.22579313537919 15.999 > 2 17 O 0.55555555555556 0.77777777777778 0.22579313537919 15.999 > 2 18 O 0.88888888888889 0.77777777777778 0.22579313537919 15.999 > 2 19 O 0.22222222222222 0.11111111111111 0.44087353128747 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.44087353128747 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.44087353128747 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.44087353128747 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.44087353128747 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.44087353128747 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.44087353128747 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.44087353128747 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.44087353128747 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.55912646871253 15.999 > 2 29 O 0.44444444444444 0.22222222222222 0.55912646871253 15.999 > 2 30 O 0.77777777777778 0.22222222222222 0.55912646871253 15.999 > 2 31 O 0.11111111111111 0.55555555555556 0.55912646871253 15.999 > 2 32 O 0.44444444444444 0.55555555555556 0.55912646871253 15.999 > 2 33 O 0.77777777777778 0.55555555555556 0.55912646871253 15.999 > 2 34 O 0.11111111111111 0.88888888888889 0.55912646871253 15.999 > 2 35 O 0.44444444444444 0.88888888888889 0.55912646871253 15.999 > 2 36 O 0.77777777777778 0.88888888888889 0.55912646871253 15.999 > 2 37 O 0.11111111111111 0.22222222222222 0.77420686462081 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.77420686462081 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.77420686462081 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.77420686462081 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.77420686462081 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.77420686462081 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.77420686462081 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.77420686462081 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.77420686462081 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.89245980204586 15.999 > 2 47 O 0.33333333333333 0.00000000000000 0.89245980204586 15.999 > 2 48 O 0.66666666666667 0.00000000000000 0.89245980204586 15.999 > 2 49 O 0.00000000000000 0.33333333333333 0.89245980204586 15.999 > 2 50 O 0.33333333333333 0.33333333333333 0.89245980204586 15.999 > 2 51 O 0.66666666666667 0.33333333333333 0.89245980204586 15.999 > 2 52 O 0.00000000000000 0.66666666666667 0.89245980204586 15.999 > 2 53 O 0.33333333333333 0.66666666666667 0.89245980204586 15.999 > 2 54 O 0.66666666666667 0.66666666666667 0.89245980204586 15.999 > 2 *55 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 3 56 Cu 0.33333333333333 0.00000000000000 0.00000000000000 63.546 > 3 57 Cu 0.66666666666667 0.00000000000000 0.00000000000000 63.546 > 3 58 Cu 0.00000000000000 0.33333333333333 0.00000000000000 63.546 > 3 59 Cu 0.33333333333333 0.33333333333333 0.00000000000000 63.546 > 3 60 Cu 0.66666666666667 0.33333333333333 0.00000000000000 63.546 > 3 61 Cu 0.00000000000000 0.66666666666667 0.00000000000000 63.546 > 3 62 Cu 0.33333333333333 0.66666666666667 0.00000000000000 63.546 > 3 63 Cu 0.66666666666667 0.66666666666667 0.00000000000000 63.546 > 3 64 Cu 0.22222222222222 0.11111111111111 0.33333333333333 63.546 > 3 65 Cu 0.55555555555556 0.11111111111111 0.33333333333333 63.546 > 3 66 Cu 0.88888888888889 0.11111111111111 0.33333333333333 63.546 > 3 67 Cu 0.22222222222222 0.44444444444444 0.33333333333333 63.546 > 3 68 Cu 0.55555555555556 0.44444444444444 0.33333333333333 63.546 > 3 69 Cu 0.88888888888889 0.44444444444444 0.33333333333333 63.546 > 3 70 Cu 0.22222222222222 0.77777777777778 0.33333333333333 63.546 > 3 71 Cu 0.55555555555556 0.77777777777778 0.33333333333333 63.546 > 3 72 Cu 0.88888888888889 0.77777777777778 0.33333333333333 63.546 > 3 73 Cu 0.11111111111111 0.22222222222222 0.66666666666667 63.546 > 3 74 Cu 0.44444444444444 0.22222222222222 0.66666666666667 63.546 > 3 75 Cu 0.77777777777778 0.22222222222222 0.66666666666667 63.546 > 3 76 Cu 0.11111111111111 0.55555555555556 0.66666666666667 63.546 > 3 77 Cu 0.44444444444444 0.55555555555556 0.66666666666667 63.546 > 3 78 Cu 0.77777777777778 0.55555555555556 0.66666666666667 63.546 > 3 79 Cu 0.11111111111111 0.88888888888889 0.66666666666667 63.546 > 3 80 Cu 0.44444444444444 0.88888888888889 0.66666666666667 63.546 > 3 81 Cu 0.77777777777778 0.88888888888889 0.66666666666667 63.546 > 3 *82 Ga 0.11111111111111 0.22222222222222 0.16666666666667 69.723 > 4 83 Ga 0.44444444444444 0.22222222222222 0.16666666666667 69.723 > 4 84 Ga 0.77777777777778 0.22222222222222 0.16666666666667 69.723 > 4 85 Ga 0.11111111111111 0.55555555555556 0.16666666666667 69.723 > 4 86 Ga 0.44444444444444 0.55555555555556 0.16666666666667 69.723 > 4 87 Ga 0.77777777777778 0.55555555555556 0.16666666666667 69.723 > 4 88 Ga 0.11111111111111 0.88888888888889 0.16666666666667 69.723 > 4 89 Ga 0.44444444444444 0.88888888888889 0.16666666666667 69.723 > 4 90 Ga 0.77777777777778 0.88888888888889 0.16666666666667 69.723 > 4 91 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 4 92 Ga 0.33333333333333 0.00000000000000 0.50000000000000 69.723 > 4 93 Ga 0.66666666666667 0.00000000000000 0.50000000000000 69.723 > 4 94 Ga 0.00000000000000 0.33333333333333 0.50000000000000 69.723 > 4 95 Ga 0.33333333333333 0.33333333333333 0.50000000000000 69.723 > 4 96 Ga 0.66666666666667 0.33333333333333 0.50000000000000 69.723 > 4 97 Ga 0.00000000000000 0.66666666666667 0.50000000000000 69.723 > 4 98 Ga 0.33333333333333 0.66666666666667 0.50000000000000 69.723 > 4 99 Ga 0.66666666666667 0.66666666666667 0.50000000000000 69.723 > 4 100 Ga 0.22222222222222 0.11111111111111 0.83333333333333 69.723 > 4 101 Ga 0.55555555555556 0.11111111111111 0.83333333333333 69.723 > 4 102 Ga 0.88888888888889 0.11111111111111 0.83333333333333 69.723 > 4 103 Ga 0.22222222222222 0.44444444444444 0.83333333333333 69.723 > 4 104 Ga 0.55555555555556 0.44444444444444 0.83333333333333 69.723 > 4 105 Ga 0.88888888888889 0.44444444444444 0.83333333333333 69.723 > 4 106 Ga 0.22222222222222 0.77777777777778 0.83333333333333 69.723 > 4 107 Ga 0.55555555555556 0.77777777777778 0.83333333333333 69.723 > 4 108 Ga 0.88888888888889 0.77777777777778 0.83333333333333 69.723 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4998978 -0.0000000 0.0000000 0.0000000 6.4998978 0.0000000 0.0000000 0.0000000 5.0217829 -------------------------- Born effective charges -------------------------- 1 O -2.0563509 -0.0000000 0.0000000 0.0000000 -2.0563509 0.0000000 0.0000000 0.0000000 -2.1610382 2 O -2.0563509 -0.0000000 0.0000000 0.0000000 -2.0563509 0.0000000 0.0000000 0.0000000 -2.1610382 3 Cu 0.7152018 -0.0000000 0.0000000 0.0000000 0.7152018 0.0000000 0.0000000 0.0000000 1.5318190 4 Ga 3.3975000 0.0000000 0.0000000 0.0000000 3.3975000 0.0000000 0.0000000 0.0000000 2.7902574 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.125 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.132 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:06:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:06:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.484177699164131 0.856890394137649 5.707695649999994 b -1.484177699164128 0.856890394137649 5.707695649999994 c 0.000000000000001 -1.713780788275301 5.707695649999994 Atomic positions (fractional): 1 O 0.10754019795414 0.10754019795414 0.10754019795414 15.999 2 O 0.89245980204586 0.89245980204586 0.89245980204586 15.999 3 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 4 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.905066194984780 0.000000000000000 0.000000000000000 b -4.452533097492390 7.712013547238850 0.000000000000000 c 0.000000000000000 0.000000000000000 17.123086950000001 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.10754019795414 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.10754019795414 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.10754019795414 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.10754019795414 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.10754019795414 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.10754019795414 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.10754019795414 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.10754019795414 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.10754019795414 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.22579313537919 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.22579313537919 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.22579313537919 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.22579313537919 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.22579313537919 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.22579313537919 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.22579313537919 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.22579313537919 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.22579313537919 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.44087353128747 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.44087353128747 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.44087353128747 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.44087353128747 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.44087353128747 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.44087353128747 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.44087353128747 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.44087353128747 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.44087353128747 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.55912646871253 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.55912646871253 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.55912646871253 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.55912646871253 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.55912646871253 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.55912646871253 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.55912646871253 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.55912646871253 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.55912646871253 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.77420686462081 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.77420686462081 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.77420686462081 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.77420686462081 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.77420686462081 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.77420686462081 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.77420686462081 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.77420686462081 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.77420686462081 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.89245980204586 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.89245980204586 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.89245980204586 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.89245980204586 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.89245980204586 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.89245980204586 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.89245980204586 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.89245980204586 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.89245980204586 15.999 > 10 55 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 55 56 Cu 0.33333333333333 0.00000000000000 0.00000000000000 63.546 > 55 57 Cu 0.66666666666667 0.00000000000000 0.00000000000000 63.546 > 55 58 Cu 0.00000000000000 0.33333333333333 0.00000000000000 63.546 > 55 59 Cu 0.33333333333333 0.33333333333333 0.00000000000000 63.546 > 55 60 Cu 0.66666666666667 0.33333333333333 0.00000000000000 63.546 > 55 61 Cu 0.00000000000000 0.66666666666667 0.00000000000000 63.546 > 55 62 Cu 0.33333333333333 0.66666666666667 0.00000000000000 63.546 > 55 63 Cu 0.66666666666667 0.66666666666667 0.00000000000000 63.546 > 55 64 Cu 0.22222222222222 0.11111111111111 0.33333333333333 63.546 > 55 65 Cu 0.55555555555556 0.11111111111111 0.33333333333333 63.546 > 55 66 Cu 0.88888888888889 0.11111111111111 0.33333333333333 63.546 > 55 67 Cu 0.22222222222222 0.44444444444444 0.33333333333333 63.546 > 55 68 Cu 0.55555555555556 0.44444444444444 0.33333333333333 63.546 > 55 69 Cu 0.88888888888889 0.44444444444444 0.33333333333333 63.546 > 55 70 Cu 0.22222222222222 0.77777777777778 0.33333333333333 63.546 > 55 71 Cu 0.55555555555556 0.77777777777778 0.33333333333333 63.546 > 55 72 Cu 0.88888888888889 0.77777777777778 0.33333333333333 63.546 > 55 73 Cu 0.11111111111111 0.22222222222222 0.66666666666667 63.546 > 55 74 Cu 0.44444444444444 0.22222222222222 0.66666666666667 63.546 > 55 75 Cu 0.77777777777778 0.22222222222222 0.66666666666667 63.546 > 55 76 Cu 0.11111111111111 0.55555555555556 0.66666666666667 63.546 > 55 77 Cu 0.44444444444444 0.55555555555556 0.66666666666667 63.546 > 55 78 Cu 0.77777777777778 0.55555555555556 0.66666666666667 63.546 > 55 79 Cu 0.11111111111111 0.88888888888889 0.66666666666667 63.546 > 55 80 Cu 0.44444444444444 0.88888888888889 0.66666666666667 63.546 > 55 81 Cu 0.77777777777778 0.88888888888889 0.66666666666667 63.546 > 55 82 Ga 0.11111111111111 0.22222222222222 0.16666666666667 69.723 > 82 83 Ga 0.44444444444444 0.22222222222222 0.16666666666667 69.723 > 82 84 Ga 0.77777777777778 0.22222222222222 0.16666666666667 69.723 > 82 85 Ga 0.11111111111111 0.55555555555556 0.16666666666667 69.723 > 82 86 Ga 0.44444444444444 0.55555555555556 0.16666666666667 69.723 > 82 87 Ga 0.77777777777778 0.55555555555556 0.16666666666667 69.723 > 82 88 Ga 0.11111111111111 0.88888888888889 0.16666666666667 69.723 > 82 89 Ga 0.44444444444444 0.88888888888889 0.16666666666667 69.723 > 82 90 Ga 0.77777777777778 0.88888888888889 0.16666666666667 69.723 > 82 91 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 82 92 Ga 0.33333333333333 0.00000000000000 0.50000000000000 69.723 > 82 93 Ga 0.66666666666667 0.00000000000000 0.50000000000000 69.723 > 82 94 Ga 0.00000000000000 0.33333333333333 0.50000000000000 69.723 > 82 95 Ga 0.33333333333333 0.33333333333333 0.50000000000000 69.723 > 82 96 Ga 0.66666666666667 0.33333333333333 0.50000000000000 69.723 > 82 97 Ga 0.00000000000000 0.66666666666667 0.50000000000000 69.723 > 82 98 Ga 0.33333333333333 0.66666666666667 0.50000000000000 69.723 > 82 99 Ga 0.66666666666667 0.66666666666667 0.50000000000000 69.723 > 82 100 Ga 0.22222222222222 0.11111111111111 0.83333333333333 69.723 > 82 101 Ga 0.55555555555556 0.11111111111111 0.83333333333333 69.723 > 82 102 Ga 0.88888888888889 0.11111111111111 0.83333333333333 69.723 > 82 103 Ga 0.22222222222222 0.44444444444444 0.83333333333333 69.723 > 82 104 Ga 0.55555555555556 0.44444444444444 0.83333333333333 69.723 > 82 105 Ga 0.88888888888889 0.44444444444444 0.83333333333333 69.723 > 82 106 Ga 0.22222222222222 0.77777777777778 0.83333333333333 69.723 > 82 107 Ga 0.55555555555556 0.77777777777778 0.83333333333333 69.723 > 82 108 Ga 0.88888888888889 0.77777777777778 0.83333333333333 69.723 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4998978 -0.0000000 0.0000000 0.0000000 6.4998978 0.0000000 0.0000000 0.0000000 5.0217829 -------------------------- Born effective charges -------------------------- 1 O -2.0563509 -0.0000000 0.0000000 0.0000000 -2.0563509 0.0000000 0.0000000 0.0000000 -2.1610382 2 O -2.0563509 -0.0000000 0.0000000 0.0000000 -2.0563509 0.0000000 0.0000000 0.0000000 -2.1610382 3 Cu 0.7152018 -0.0000000 0.0000000 0.0000000 0.7152018 0.0000000 0.0000000 0.0000000 1.5318190 4 Ga 3.3975000 0.0000000 0.0000000 0.0000000 3.3975000 0.0000000 0.0000000 0.0000000 2.7902574 ---------------------------------------------------------------------------- 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 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:06:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:06:12]------------------------- 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 1.484177699164131 0.856890394137649 5.707695649999994 b -1.484177699164128 0.856890394137649 5.707695649999994 c 0.000000000000001 -1.713780788275301 5.707695649999994 Atomic positions (fractional): 1 O 0.10754019795414 0.10754019795414 0.10754019795414 15.999 2 O 0.89245980204586 0.89245980204586 0.89245980204586 15.999 3 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 4 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.905066194984780 0.000000000000000 0.000000000000000 b -4.452533097492390 7.712013547238850 0.000000000000000 c 0.000000000000000 0.000000000000000 17.123086950000001 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.10754019795414 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.10754019795414 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.10754019795414 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.10754019795414 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.10754019795414 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.10754019795414 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.10754019795414 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.10754019795414 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.10754019795414 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.22579313537919 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.22579313537919 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.22579313537919 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.22579313537919 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.22579313537919 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.22579313537919 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.22579313537919 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.22579313537919 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.22579313537919 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.44087353128747 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.44087353128747 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.44087353128747 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.44087353128747 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.44087353128747 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.44087353128747 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.44087353128747 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.44087353128747 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.44087353128747 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.55912646871253 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.55912646871253 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.55912646871253 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.55912646871253 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.55912646871253 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.55912646871253 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.55912646871253 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.55912646871253 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.55912646871253 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.77420686462081 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.77420686462081 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.77420686462081 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.77420686462081 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.77420686462081 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.77420686462081 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.77420686462081 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.77420686462081 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.77420686462081 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.89245980204586 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.89245980204586 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.89245980204586 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.89245980204586 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.89245980204586 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.89245980204586 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.89245980204586 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.89245980204586 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.89245980204586 15.999 > 10 55 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 55 56 Cu 0.33333333333333 0.00000000000000 0.00000000000000 63.546 > 55 57 Cu 0.66666666666667 0.00000000000000 0.00000000000000 63.546 > 55 58 Cu 0.00000000000000 0.33333333333333 0.00000000000000 63.546 > 55 59 Cu 0.33333333333333 0.33333333333333 0.00000000000000 63.546 > 55 60 Cu 0.66666666666667 0.33333333333333 0.00000000000000 63.546 > 55 61 Cu 0.00000000000000 0.66666666666667 0.00000000000000 63.546 > 55 62 Cu 0.33333333333333 0.66666666666667 0.00000000000000 63.546 > 55 63 Cu 0.66666666666667 0.66666666666667 0.00000000000000 63.546 > 55 64 Cu 0.22222222222222 0.11111111111111 0.33333333333333 63.546 > 55 65 Cu 0.55555555555556 0.11111111111111 0.33333333333333 63.546 > 55 66 Cu 0.88888888888889 0.11111111111111 0.33333333333333 63.546 > 55 67 Cu 0.22222222222222 0.44444444444444 0.33333333333333 63.546 > 55 68 Cu 0.55555555555556 0.44444444444444 0.33333333333333 63.546 > 55 69 Cu 0.88888888888889 0.44444444444444 0.33333333333333 63.546 > 55 70 Cu 0.22222222222222 0.77777777777778 0.33333333333333 63.546 > 55 71 Cu 0.55555555555556 0.77777777777778 0.33333333333333 63.546 > 55 72 Cu 0.88888888888889 0.77777777777778 0.33333333333333 63.546 > 55 73 Cu 0.11111111111111 0.22222222222222 0.66666666666667 63.546 > 55 74 Cu 0.44444444444444 0.22222222222222 0.66666666666667 63.546 > 55 75 Cu 0.77777777777778 0.22222222222222 0.66666666666667 63.546 > 55 76 Cu 0.11111111111111 0.55555555555556 0.66666666666667 63.546 > 55 77 Cu 0.44444444444444 0.55555555555556 0.66666666666667 63.546 > 55 78 Cu 0.77777777777778 0.55555555555556 0.66666666666667 63.546 > 55 79 Cu 0.11111111111111 0.88888888888889 0.66666666666667 63.546 > 55 80 Cu 0.44444444444444 0.88888888888889 0.66666666666667 63.546 > 55 81 Cu 0.77777777777778 0.88888888888889 0.66666666666667 63.546 > 55 82 Ga 0.11111111111111 0.22222222222222 0.16666666666667 69.723 > 82 83 Ga 0.44444444444444 0.22222222222222 0.16666666666667 69.723 > 82 84 Ga 0.77777777777778 0.22222222222222 0.16666666666667 69.723 > 82 85 Ga 0.11111111111111 0.55555555555556 0.16666666666667 69.723 > 82 86 Ga 0.44444444444444 0.55555555555556 0.16666666666667 69.723 > 82 87 Ga 0.77777777777778 0.55555555555556 0.16666666666667 69.723 > 82 88 Ga 0.11111111111111 0.88888888888889 0.16666666666667 69.723 > 82 89 Ga 0.44444444444444 0.88888888888889 0.16666666666667 69.723 > 82 90 Ga 0.77777777777778 0.88888888888889 0.16666666666667 69.723 > 82 91 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 82 92 Ga 0.33333333333333 0.00000000000000 0.50000000000000 69.723 > 82 93 Ga 0.66666666666667 0.00000000000000 0.50000000000000 69.723 > 82 94 Ga 0.00000000000000 0.33333333333333 0.50000000000000 69.723 > 82 95 Ga 0.33333333333333 0.33333333333333 0.50000000000000 69.723 > 82 96 Ga 0.66666666666667 0.33333333333333 0.50000000000000 69.723 > 82 97 Ga 0.00000000000000 0.66666666666667 0.50000000000000 69.723 > 82 98 Ga 0.33333333333333 0.66666666666667 0.50000000000000 69.723 > 82 99 Ga 0.66666666666667 0.66666666666667 0.50000000000000 69.723 > 82 100 Ga 0.22222222222222 0.11111111111111 0.83333333333333 69.723 > 82 101 Ga 0.55555555555556 0.11111111111111 0.83333333333333 69.723 > 82 102 Ga 0.88888888888889 0.11111111111111 0.83333333333333 69.723 > 82 103 Ga 0.22222222222222 0.44444444444444 0.83333333333333 69.723 > 82 104 Ga 0.55555555555556 0.44444444444444 0.83333333333333 69.723 > 82 105 Ga 0.88888888888889 0.44444444444444 0.83333333333333 69.723 > 82 106 Ga 0.22222222222222 0.77777777777778 0.83333333333333 69.723 > 82 107 Ga 0.55555555555556 0.77777777777778 0.83333333333333 69.723 > 82 108 Ga 0.88888888888889 0.77777777777778 0.83333333333333 69.723 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.4998978 -0.0000000 0.0000000 0.0000000 6.4998978 0.0000000 0.0000000 0.0000000 5.0217829 -------------------------- Born effective charges -------------------------- 1 O -2.0563509 -0.0000000 0.0000000 0.0000000 -2.0563509 0.0000000 0.0000000 0.0000000 -2.1610382 2 O -2.0563509 -0.0000000 0.0000000 0.0000000 -2.0563509 0.0000000 0.0000000 0.0000000 -2.1610382 3 Cu 0.7152018 -0.0000000 0.0000000 0.0000000 0.7152018 0.0000000 0.0000000 0.0000000 1.5318190 4 Ga 3.3975000 0.0000000 0.0000000 0.0000000 3.3975000 0.0000000 0.0000000 0.0000000 2.7902574 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 ... [ 20 20 20 ] 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: 1.18, Number of G-points: 307, Lambda: 0.30 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/781) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 781 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 3.880 ( 0.000 0.000 0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 10.306 ( 0.000 0.000 0.000) 0.000 10.721 ( 0.000 0.000 0.000) 0.000 10.721 ( 0.000 0.000 0.000) 0.000 11.350 ( 0.000 0.000 0.000) 0.000 11.350 ( 0.000 0.000 0.000) 0.000 18.778 ( 0.000 0.000 0.000) 0.000 21.274 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/781) ======================= q-point: ( 0.05 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( 7.741 4.470 61.221) 61.870 0.648 ( 28.137 16.245 1.979) 32.551 1.198 ( 49.361 28.499 5.928) 57.304 3.895 ( 1.646 0.950 -2.309) 2.991 3.984 ( 9.836 5.679 -0.178) 11.359 10.221 ( -7.243 -4.182 -0.509) 8.379 10.711 ( -1.686 -0.973 7.610) 7.855 10.859 ( 12.041 6.952 -2.954) 14.214 11.413 ( 6.201 3.580 -6.174) 9.455 15.346 ( 12.961 7.483 -80.781) 82.156 18.890 ( -10.338 -5.968 74.609) 75.557 21.236 ( -3.688 -2.129 2.653) 5.018 ======================= Grid point 2 (3/781) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 16.041 9.262 48.191) 51.628 1.264 ( 25.913 14.961 2.365) 30.015 2.163 ( 32.870 18.978 7.414) 38.673 3.945 ( 3.766 2.174 -4.391) 6.180 4.377 ( 26.640 15.381 -0.664) 30.768 9.990 ( -12.783 -7.380 -2.764) 15.017 10.700 ( -1.671 -0.965 11.634) 11.793 11.217 ( 20.287 11.713 -4.635) 23.880 11.580 ( 10.345 5.973 -8.975) 14.941 15.424 ( 9.340 5.392 -38.376) 39.863 18.871 ( -5.118 -2.955 31.943) 32.485 21.129 ( -6.822 -3.939 5.404) 9.553 ======================= Grid point 3 (4/781) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 21.910 12.650 37.058) 44.871 1.812 ( 21.853 12.617 2.802) 25.388 2.694 ( 13.525 7.809 9.161) 18.106 4.046 ( 6.753 3.899 -5.981) 9.827 5.179 ( 43.265 24.979 -0.514) 49.960 9.636 ( -17.542 -10.128 -4.454) 20.740 10.710 ( -0.541 -0.313 12.879) 12.894 11.716 ( 24.812 14.325 -5.390) 29.153 11.814 ( 12.682 7.322 -9.356) 17.377 15.533 ( 8.268 4.773 -23.529) 25.392 18.851 ( -2.619 -1.512 14.475) 14.788 20.968 ( -9.074 -5.239 8.358) 13.403 ======================= Grid point 4 (5/781) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 24.043 13.881 26.042) 38.065 2.249 ( 16.132 9.314 2.921) 18.855 2.904 ( 3.972 2.293 12.775) 13.574 4.219 ( 10.415 6.013 -6.724) 13.778 6.225 ( 48.214 27.836 0.368) 55.674 9.186 ( -21.002 -12.125 -5.785) 24.931 10.751 ( 0.902 0.521 12.665) 12.707 12.086 ( 13.705 7.913 -8.691) 18.055 12.276 ( 25.960 14.988 -5.513) 30.479 15.648 ( 6.838 3.948 -15.747) 17.615 18.843 ( -0.204 -0.118 3.012) 3.021 20.777 ( -10.454 -6.035 11.510) 16.679 ======================= Grid point 5 (6/781) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 19.965 11.527 7.435) 24.223 2.551 ( 10.199 5.888 2.453) 12.029 3.018 ( 3.486 2.013 25.262) 25.581 4.470 ( 13.309 7.684 -6.414) 16.653 7.293 ( 45.650 26.356 2.234) 52.759 8.674 ( -22.356 -12.907 -7.667) 26.929 10.822 ( 2.187 1.262 11.660) 11.930 12.371 ( 13.613 7.859 -7.635) 17.475 12.831 ( 24.594 14.199 -5.262) 28.882 15.740 ( 4.629 2.673 -10.971) 12.204 18.864 ( 2.508 1.448 -5.626) 6.328 20.571 ( -11.215 -6.475 14.625) 19.534 ======================= Grid point 6 (7/781) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 3.974 2.295 -8.186) 9.385 2.733 ( 5.736 3.312 1.650) 6.826 3.328 ( 15.423 8.905 35.247) 39.491 4.762 ( 13.869 8.007 -5.367) 16.890 8.061 ( -11.482 -6.629 9.501) 16.311 8.354 ( 29.338 16.938 -14.686) 36.923 10.914 ( 3.014 1.740 10.130) 10.711 12.645 ( 12.478 7.204 -6.412) 15.771 13.338 ( 21.596 12.468 -4.753) 25.386 15.787 ( 1.945 1.123 -7.841) 8.156 18.926 ( 5.297 3.058 -11.952) 13.426 20.360 ( -11.644 -6.723 17.318) 21.925 ======================= Grid point 7 (8/781) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( -1.298 -0.749 -4.997) 5.217 2.832 ( 3.017 1.742 0.929) 3.606 3.796 ( 16.766 9.680 26.359) 32.705 5.043 ( 12.048 6.956 -4.062) 14.493 7.594 ( -21.325 -12.312 -2.075) 24.711 9.144 ( 33.527 19.357 -2.637) 38.804 11.012 ( 3.194 1.844 8.148) 8.944 12.887 ( 10.376 5.991 -5.048) 13.001 13.767 ( 17.613 10.169 -3.951) 20.719 15.782 ( -0.570 -0.329 -5.657) 5.695 19.032 ( 7.725 4.460 -16.139) 18.440 20.149 ( -11.885 -6.862 19.280) 23.665 ======================= Grid point 8 (9/781) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -1.998 -1.154 -2.644) 3.509 2.883 ( 1.483 0.856 0.449) 1.770 4.204 ( 13.439 7.759 17.848) 23.651 5.268 ( 8.673 5.008 -2.713) 10.376 7.150 ( -17.084 -9.863 -2.626) 19.901 9.788 ( 23.967 13.837 -1.292) 27.705 11.099 ( 2.661 1.536 5.740) 6.510 13.076 ( 7.440 4.296 -3.515) 9.282 14.101 ( 12.876 7.434 -2.804) 15.130 15.735 ( -2.144 -1.238 -3.876) 4.600 19.175 ( 9.498 5.484 -18.618) 21.608 19.940 ( -11.935 -6.890 20.413) 24.629 ======================= Grid point 9 (10/781) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -1.286 -0.742 -1.154) 1.880 2.906 ( 0.600 0.346 0.171) 0.713 4.487 ( 7.811 4.510 9.303) 12.958 5.411 ( 4.497 2.596 -1.358) 5.367 6.834 ( -9.923 -5.729 -1.846) 11.606 10.199 ( 12.546 7.243 -0.592) 14.499 11.160 ( 1.510 0.872 2.974) 3.447 13.196 ( 3.885 2.243 -1.811) 4.838 14.321 ( 7.076 4.085 -1.417) 8.293 15.676 ( -1.990 -1.149 -2.054) 3.082 19.346 ( 10.623 6.133 -19.953) 23.422 19.734 ( -11.743 -6.780 20.797) 24.827 ======================= Grid point 10 (11/781) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 0.000 0.000 -0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 4.591 ( 0.000 0.000 0.000) 0.000 5.460 ( 0.000 0.000 0.000) 0.000 6.716 ( 0.000 0.000 0.000) 0.000 10.340 ( 0.000 0.000 0.000) 0.000 11.181 ( 0.000 0.000 0.000) 0.000 13.237 ( 0.000 0.000 0.000) 0.000 14.400 ( 0.000 0.000 0.000) 0.000 15.648 ( 0.000 0.000 0.000) 0.000 19.523 ( -0.000 -0.000 0.000) 0.000 19.545 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 22 (12/781) ======================= q-point: ( 0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 0.000 5.755 72.124) 72.354 0.660 ( -0.000 32.093 4.786) 32.448 1.212 ( -0.000 55.916 10.175) 56.834 3.900 ( -0.000 2.398 -1.214) 2.688 3.969 ( -0.000 10.913 -3.534) 11.471 10.216 ( 0.000 -8.633 -1.705) 8.800 10.650 ( -0.000 -4.275 -6.402) 7.698 10.891 ( -0.000 15.146 4.440) 15.783 11.464 ( 0.000 8.907 5.402) 10.417 15.033 ( -0.000 41.561 -127.663) 134.258 19.158 ( 0.000 -37.212 111.203) 117.264 21.248 ( 0.000 -4.333 5.713) 7.170 ======================= Grid point 23 (13/781) ======================= q-point: ( 0.10 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 4.736 9.709 63.075) 63.993 1.134 ( 15.363 27.285 4.996) 31.709 1.966 ( 22.375 37.363 11.727) 45.102 3.930 ( 0.880 4.516 -3.607) 5.847 4.210 ( 13.133 20.095 -3.627) 24.278 10.053 ( -6.598 -11.344 -3.930) 13.700 10.769 ( 18.278 -5.294 -6.109) 19.985 10.952 ( -9.490 14.994 8.464) 19.660 11.634 ( 4.459 17.903 -0.493) 18.457 15.189 ( 11.262 19.398 -66.621) 70.296 19.033 ( -7.409 -16.172 52.313) 55.255 21.187 ( -3.519 -6.081 8.314) 10.885 ======================= Grid point 24 (14/781) ======================= q-point: ( 0.15 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 12.933 13.180 49.540) 52.870 1.669 ( 16.714 22.556 4.481) 28.429 2.591 ( 14.952 16.304 13.420) 25.874 4.005 ( 3.067 7.436 -5.812) 9.923 4.820 ( 30.420 31.361 -3.007) 43.795 9.756 ( -12.212 -13.893 -5.610) 19.329 10.905 ( -9.076 12.937 12.092) 19.899 11.134 ( 27.455 -6.738 -8.386) 29.487 11.938 ( 6.251 26.240 -3.335) 27.180 15.363 ( 9.775 11.225 -37.583) 40.424 18.927 ( -4.483 -7.972 22.956) 24.711 21.066 ( -6.320 -7.257 10.960) 14.585 ======================= Grid point 25 (15/781) ======================= q-point: ( 0.20 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 18.044 14.272 34.491) 41.460 2.137 ( 13.773 17.348 4.540) 22.611 2.899 ( 5.870 5.569 16.548) 18.420 4.152 ( 5.885 11.322 -7.049) 14.578 5.760 ( 41.456 34.548 -1.689) 53.991 9.348 ( -16.575 -15.870 -6.623) 23.884 10.917 ( -8.230 13.083 12.152) 19.662 11.545 ( 31.479 -7.774 -8.849) 33.611 12.323 ( 8.192 29.281 -3.595) 30.617 15.518 ( 8.183 7.774 -23.675) 26.227 18.857 ( -1.868 -4.225 6.693) 8.132 20.904 ( -8.260 -7.853 13.734) 17.847 ======================= Grid point 26 (16/781) ======================= q-point: ( 0.25 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 17.819 11.005 15.062) 25.797 2.489 ( 9.329 12.423 4.619) 16.208 3.063 ( 3.233 3.498 25.796) 26.232 4.384 ( 8.487 15.343 -7.043) 18.895 6.811 ( 44.121 31.596 -0.534) 54.270 8.862 ( -19.509 -16.814 -7.142) 26.727 10.957 ( -5.996 12.848 10.693) 17.759 11.969 ( 28.778 -5.176 -7.799) 30.262 12.751 ( 11.141 26.845 -3.487) 29.274 15.646 ( 6.187 5.269 -15.962) 17.912 18.823 ( 0.827 -1.535 -4.051) 4.410 20.721 ( -9.494 -8.027 16.432) 20.605 ======================= Grid point 27 (17/781) ======================= q-point: ( 0.30 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 9.425 3.069 -2.922) 10.334 2.719 ( 4.525 7.675 1.718) 9.074 3.310 ( 9.651 8.164 37.639) 39.705 4.680 ( 9.301 17.809 -6.029) 20.976 7.825 ( 41.747 26.481 1.260) 49.454 8.336 ( -20.523 -16.463 -8.180) 27.553 11.024 ( -4.304 12.735 8.794) 16.063 12.359 ( 23.324 -0.935 -6.200) 24.153 13.186 ( 13.752 20.888 -3.368) 25.235 15.730 ( 3.663 2.935 -11.310) 12.245 18.835 ( 3.749 0.810 -11.356) 11.987 20.527 ( -10.306 -7.997 18.709) 22.808 ======================= Grid point 28 (18/781) ======================= q-point: ( 0.35 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 2.413 -0.614 -6.307) 6.781 2.820 ( 1.632 3.445 2.048) 4.328 3.717 ( 13.934 10.019 32.317) 36.591 4.988 ( 7.842 18.057 -4.636) 20.225 7.810 ( -20.730 -14.610 -5.322) 25.913 8.728 ( 37.358 20.369 -0.659) 42.555 11.106 ( -3.376 12.504 6.582) 14.528 12.695 ( 17.202 2.834 -4.429) 17.987 13.590 ( 14.790 14.130 -3.002) 20.674 15.759 ( 1.037 0.830 -8.360) 8.465 18.900 ( 6.553 2.784 -15.925) 17.444 20.328 ( -10.895 -7.905 20.275) 24.336 ======================= Grid point 29 (19/781) ======================= q-point: ( 0.40 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( -0.709 -1.058 -4.605) 4.778 2.870 ( 1.191 1.068 1.687) 2.325 4.118 ( 12.805 8.147 22.937) 27.504 5.254 ( 4.776 16.585 -3.222) 17.557 7.336 ( -18.237 -11.420 -4.997) 22.090 9.463 ( 29.839 13.790 0.245) 32.872 11.186 ( -3.283 12.023 4.076) 13.113 12.963 ( 11.277 4.967 -2.630) 12.599 13.934 ( 13.895 8.056 -2.172) 16.207 15.736 ( -0.993 -0.696 -6.301) 6.416 19.014 ( 8.794 4.226 -18.389) 20.817 20.125 ( -11.283 -7.776 21.029) 25.100 ======================= Grid point 30 (20/781) ======================= q-point: ( 0.45 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( -1.228 -0.516 -2.822) 3.120 2.894 ( 0.886 -0.274 1.171) 1.494 4.422 ( 8.999 4.845 13.548) 16.971 5.445 ( 0.904 14.050 -1.853) 14.201 6.964 ( -13.366 -6.617 -3.784) 15.387 9.988 ( 20.144 6.634 0.772) 21.223 11.247 ( -3.973 11.291 1.319) 12.042 13.153 ( 5.783 5.268 -0.825) 7.866 14.194 ( 10.948 2.840 -0.889) 11.345 15.685 ( -1.666 -1.205 -4.538) 4.982 19.166 ( 10.304 5.114 -19.461) 22.607 19.920 ( -11.407 -7.574 21.044) 25.107 ======================= Grid point 31 (21/781) ======================= q-point: ( 0.50 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( -0.530 0.315 -1.467) 1.591 2.904 ( 0.630 -0.958 0.884) 1.448 4.577 ( 2.674 0.517 4.002) 4.841 5.544 ( -3.226 11.145 -0.497) 11.613 6.757 ( -5.566 -0.566 -1.839) 5.889 10.264 ( 8.642 -0.823 1.253) 8.771 11.275 ( -5.244 10.420 -1.576) 11.772 13.254 ( 0.784 3.985 0.970) 4.176 14.342 ( 5.749 -1.865 0.594) 6.073 15.645 ( -0.441 -0.477 -2.687) 2.765 19.343 ( 11.228 5.570 -19.650) 23.307 19.718 ( -11.228 -7.251 20.401) 24.389 ======================= Grid point 32 (22/781) ======================= q-point: (-0.45 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 0.674 1.088 -0.288) 1.312 2.903 ( 0.240 -1.213 0.692) 1.417 4.536 ( -5.243 -3.920 -5.099) 8.298 5.550 ( -7.561 8.632 0.828) 11.505 6.765 ( 4.234 5.041 0.115) 6.585 10.266 ( -3.781 -8.039 1.720) 9.049 11.263 ( -6.765 9.592 -4.427) 12.545 13.261 ( -3.623 1.420 2.707) 4.740 14.348 ( -1.046 -5.764 2.035) 6.202 15.654 ( 1.866 0.782 -0.720) 2.147 19.518 ( -7.581 -6.099 18.113) 20.561 19.540 ( 8.623 5.051 -18.146) 20.716 ======================= Grid point 33 (23/781) ======================= q-point: (-0.40 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 1.812 1.503 1.045) 2.575 2.891 ( -0.510 -1.212 0.422) 1.381 4.306 ( -12.191 -7.037 -12.730) 18.979 5.462 ( -12.117 6.455 2.044) 13.881 6.985 ( 13.137 8.644 0.947) 15.755 9.995 ( -15.922 -14.337 2.226) 21.541 11.210 ( -8.157 9.019 -7.034) 14.048 13.176 ( -7.227 -2.277 4.326) 8.725 14.213 ( -7.738 -7.929 3.371) 11.581 15.710 ( 3.081 1.342 1.086) 3.532 19.336 ( -10.017 -6.417 18.357) 21.875 19.740 ( 12.217 5.964 -19.191) 23.519 ======================= Grid point 34 (24/781) ======================= q-point: (-0.35 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 2.228 1.170 3.107) 3.998 2.861 ( -1.863 -1.048 -0.162) 2.144 3.930 ( -17.346 -8.716 -19.384) 27.434 5.282 ( -16.179 4.299 3.166) 17.037 7.360 ( 19.454 10.482 0.510) 22.104 9.476 ( -26.765 -19.216 3.091) 33.094 11.127 ( -9.107 8.875 -9.248) 15.724 13.001 ( -9.733 -7.121 5.809) 13.385 13.963 ( -13.793 -8.032 4.442) 16.568 15.776 ( 2.352 0.958 2.665) 3.681 19.168 ( -8.777 -5.600 15.872) 18.982 19.951 ( 12.427 5.790 -17.670) 22.365 ======================= Grid point 35 (25/781) ======================= q-point: (-0.30 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -0.483 -1.760 6.811) 7.052 2.808 ( -3.151 0.267 -0.810) 3.264 3.455 ( -20.247 -8.856 -26.765) 34.710 5.027 ( -18.897 2.294 4.167) 19.487 7.821 ( 21.905 10.848 -2.674) 24.590 8.760 ( -34.644 -22.192 6.340) 41.628 11.028 ( -9.439 9.254 -10.993) 17.193 12.747 ( -10.892 -13.167 7.181) 18.535 13.625 ( -19.555 -6.063 5.049) 21.087 15.814 ( 0.257 0.030 4.269) 4.277 19.027 ( -6.957 -4.522 12.208) 14.761 20.168 ( 12.476 5.450 -15.421) 20.571 ======================= Grid point 36 (26/781) ======================= q-point: (-0.25 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -11.206 -7.439 2.889) 13.757 2.723 ( -12.380 -2.278 3.005) 12.941 3.008 ( -9.075 -2.590 -30.258) 31.696 4.729 ( -19.357 0.777 4.923) 19.989 7.784 ( -38.633 -18.821 -7.433) 43.612 8.423 ( 19.943 5.704 10.988) 23.473 10.930 ( -9.137 10.191 -12.245) 18.366 12.424 ( -10.755 -20.181 8.464) 24.384 13.224 ( -24.860 -2.127 5.183) 25.483 15.807 ( -2.361 -1.003 6.186) 6.697 18.919 ( -4.676 -3.270 7.128) 9.130 20.387 ( 12.371 4.950 -12.481) 18.257 ======================= Grid point 37 (27/781) ======================= q-point: (-0.20 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -26.914 -11.875 -14.551) 32.819 2.461 ( -15.613 -2.246 -1.706) 15.866 2.904 ( -1.445 -0.209 -10.632) 10.732 4.437 ( -16.925 0.023 5.127) 17.685 6.806 ( -48.775 -21.469 -1.739) 53.320 8.915 ( 24.284 7.905 4.961) 26.016 10.852 ( -8.336 11.697 -12.966) 19.350 12.046 ( -9.965 -26.915 9.551) 30.248 12.789 ( -28.549 2.765 4.983) 29.112 15.754 ( -4.698 -1.726 8.508) 9.871 18.847 ( -2.321 -2.062 0.969) 3.252 20.606 ( 12.014 4.255 -9.146) 15.687 ======================= Grid point 38 (28/781) ======================= q-point: (-0.15 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -28.335 -9.816 -20.183) 36.147 2.111 ( -22.208 -3.490 -1.401) 22.524 2.804 ( -7.486 -2.405 -5.773) 9.755 4.202 ( -12.416 -0.080 4.384) 13.167 5.765 ( -50.199 -17.831 -0.589) 53.275 9.391 ( 22.185 6.149 3.134) 23.234 10.805 ( -7.273 13.772 -12.994) 20.283 11.629 ( -9.489 -30.422 10.090) 33.427 12.359 ( -28.829 5.945 4.551) 29.786 15.673 ( -6.054 -1.809 10.886) 12.587 18.803 ( -0.394 -1.117 -5.205) 5.338 20.817 ( 11.168 3.258 -5.812) 13.005 ======================= Grid point 39 (29/781) ======================= q-point: (-0.10 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -26.391 -6.068 -18.858) 33.000 1.646 ( -28.188 -3.478 -0.886) 28.416 2.520 ( -22.206 -4.752 -3.223) 22.937 4.043 ( -7.843 -0.012 2.611) 8.266 4.832 ( -42.046 -9.688 -0.165) 43.148 9.787 ( 18.172 3.448 1.537) 18.560 10.800 ( -6.267 15.994 -11.702) 20.785 11.213 ( -9.061 -27.443 9.523) 30.429 11.969 ( -24.962 4.862 3.487) 25.669 15.588 ( -5.896 -1.131 11.503) 12.975 18.777 ( 0.599 -0.514 -8.938) 8.973 21.006 ( 9.547 1.845 -2.752) 10.105 ======================= Grid point 40 (30/781) ======================= q-point: (-0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( -21.265 -0.000 0.000) 21.265 1.113 ( -31.840 -0.000 0.000) 31.840 1.919 ( -44.372 -0.000 0.000) 44.372 3.946 ( -4.305 -0.000 0.000) 4.305 4.226 ( -23.967 -0.000 0.000) 23.967 10.070 ( 12.973 0.000 -0.000) 12.973 10.806 ( -5.086 -0.000 0.000) 5.086 10.905 ( -7.757 -0.000 0.000) 7.757 11.636 ( -17.707 -0.000 0.000) 17.707 15.520 ( -4.194 -0.000 0.000) 4.194 18.765 ( 0.496 0.000 -0.000) 0.496 21.152 ( 7.007 0.000 -0.000) 7.007 ======================= Grid point 43 (31/781) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.000 10.404 61.329) 62.205 1.295 ( -0.000 29.707 5.729) 30.255 2.212 ( 0.000 37.277 14.751) 40.090 3.962 ( -0.000 5.186 -2.545) 5.777 4.324 ( -0.000 30.356 -6.659) 31.078 9.969 ( -0.000 -14.405 -5.233) 15.326 10.519 ( -0.000 -4.055 -8.659) 9.562 11.325 ( -0.000 24.992 7.498) 26.093 11.718 ( 0.000 12.979 6.709) 14.610 15.123 ( -0.000 24.715 -62.681) 67.377 19.051 ( 0.000 -19.739 42.288) 46.668 21.177 ( 0.000 -7.908 11.128) 13.652 ======================= Grid point 44 (32/781) ======================= q-point: ( 0.15 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 4.441 13.278 51.079) 52.963 1.693 ( 10.558 25.921 6.307) 28.690 2.629 ( 7.249 20.841 17.734) 28.309 4.029 ( 1.921 8.040 -4.238) 9.289 4.775 ( 14.528 40.950 -6.247) 43.897 9.745 ( -6.386 -16.861 -6.606) 19.202 10.617 ( 18.023 -4.539 -8.865) 20.591 11.390 ( -17.565 22.380 10.379) 30.284 12.026 ( 11.206 21.197 3.019) 24.166 15.243 ( 6.331 18.245 -44.136) 48.176 18.952 ( -2.637 -13.513 22.555) 26.424 21.103 ( -3.163 -9.032 13.558) 16.595 ======================= Grid point 45 (33/781) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 10.455 13.957 36.768) 40.694 2.132 ( 11.343 20.880 6.046) 24.519 2.929 ( 4.970 8.860 21.665) 23.928 4.170 ( 4.714 12.990 -6.028) 15.077 5.538 ( 27.584 43.433 -4.487) 51.648 9.397 ( -11.633 -18.592 -7.345) 23.129 10.940 ( 27.742 -4.935 -8.480) 29.426 11.338 ( -16.327 21.060 10.351) 28.587 12.442 ( 9.709 25.759 0.668) 27.536 15.403 ( 7.312 12.537 -29.517) 32.893 18.850 ( -1.818 -8.289 7.081) 11.052 20.980 ( -5.597 -9.474 15.868) 19.311 ======================= Grid point 46 (34/781) ======================= q-point: ( 0.25 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 12.722 10.717 17.992) 24.503 2.494 ( 8.362 15.122 6.033) 18.303 3.132 ( 3.223 5.673 29.321) 30.038 4.408 ( 7.230 18.995 -6.585) 21.365 6.465 ( 35.154 38.344 -3.335) 52.127 8.961 ( -15.494 -19.057 -7.048) 25.552 11.319 ( -11.786 19.535 6.634) 23.760 11.378 ( 29.886 -2.850 -5.163) 30.462 12.847 ( 8.486 25.608 -0.544) 26.982 15.551 ( 6.446 8.426 -20.068) 22.699 18.776 ( 0.052 -4.484 -3.840) 5.904 20.828 ( -7.314 -9.421 18.015) 21.605 ======================= Grid point 47 (35/781) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 9.448 4.373 0.832) 10.445 2.736 ( 4.339 9.159 4.002) 10.896 3.369 ( 6.195 8.203 37.935) 39.303 4.730 ( 7.889 23.669 -5.871) 25.630 7.409 ( 37.769 29.690 -4.470) 48.249 8.480 ( -17.869 -17.231 -4.500) 25.228 11.342 ( -10.628 20.554 6.356) 23.996 11.856 ( 30.585 -1.933 -5.305) 31.101 13.218 ( 8.104 22.216 -1.255) 23.681 15.661 ( 4.585 5.082 -14.088) 15.662 18.747 ( 2.554 -1.400 -11.252) 11.623 20.659 ( -8.543 -9.128 19.742) 23.368 ======================= Grid point 48 (36/781) ======================= q-point: ( 0.35 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 5.019 0.105 -5.443) 7.404 2.848 ( 0.693 4.298 2.818) 5.186 3.711 ( 10.130 9.814 35.601) 38.293 5.078 ( 6.163 25.463 -4.618) 26.602 7.929 ( -10.108 -14.865 -16.742) 24.565 8.350 ( 28.115 21.550 9.247) 36.612 11.393 ( -9.047 20.494 4.195) 22.792 12.324 ( 26.731 0.831 -3.544) 26.978 13.542 ( 8.410 16.676 -1.542) 18.740 15.718 ( 2.204 2.258 -10.311) 10.783 18.772 ( 5.350 1.123 -15.778) 16.699 20.479 ( -9.508 -8.794 20.806) 24.508 ======================= Grid point 49 (37/781) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 1.998 -1.093 -5.939) 6.361 2.882 ( -0.430 1.422 2.816) 3.184 4.071 ( 10.646 8.095 26.956) 30.091 5.388 ( 2.845 24.507 -3.306) 24.892 7.497 ( -16.311 -12.263 -9.086) 22.338 9.084 ( 31.052 15.029 3.285) 34.654 11.455 ( -8.360 20.191 1.800) 21.927 12.739 ( 20.355 3.910 -1.629) 20.791 13.816 ( 9.173 9.939 -1.268) 13.585 15.721 ( 0.009 0.118 -7.891) 7.892 18.855 ( 7.890 2.978 -18.033) 19.908 20.289 ( -10.273 -8.490 21.123) 24.976 ======================= Grid point 50 (38/781) ======================= q-point: ( 0.45 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 0.341 -0.582 -4.759) 4.807 2.887 ( -0.181 -0.549 2.491) 2.557 4.365 ( 8.580 4.812 17.291) 19.893 5.620 ( -1.046 21.315 -2.026) 21.436 7.125 ( -14.260 -5.624 -6.455) 16.632 9.672 ( 24.781 6.620 2.725) 25.795 11.509 ( -8.552 19.646 -0.741) 21.440 13.065 ( 12.418 6.386 0.226) 13.965 14.036 ( 9.696 2.917 -0.314) 10.130 15.683 ( -1.197 -0.993 -6.173) 6.366 18.986 ( 9.771 4.131 -18.766) 21.557 20.092 ( -10.772 -8.183 20.770) 24.787 ======================= Grid point 51 (39/781) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( -0.121 0.496 -3.344) 3.383 2.884 ( 0.395 -1.780 2.123) 2.799 4.540 ( 4.248 0.771 7.619) 8.757 5.754 ( -4.537 16.912 -0.706) 17.524 6.886 ( -9.977 2.305 -3.994) 10.991 10.049 ( 15.729 -1.501 2.717) 16.032 11.540 ( -9.480 18.948 -3.335) 21.448 13.276 ( 4.321 7.037 1.885) 8.470 14.191 ( 8.562 -3.336 1.193) 9.266 15.638 ( -0.752 -0.833 -4.659) 4.793 19.150 ( 10.969 4.724 -18.633) 22.132 19.890 ( -10.933 -7.816 19.890) 24.005 ======================= Grid point 52 (40/781) ======================= q-point: (-0.45 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 0.304 1.470 -2.027) 2.523 2.880 ( 0.784 -2.255 1.844) 3.016 4.555 ( -2.276 -3.278 -1.270) 4.188 5.801 ( -7.403 13.795 0.640) 15.669 6.816 ( -3.644 8.454 -1.829) 9.386 10.180 ( 4.778 -8.917 2.830) 10.505 11.536 ( -10.863 18.239 -5.841) 22.018 13.356 ( -2.597 4.920 3.372) 6.505 14.257 ( 4.709 -7.607 2.812) 9.378 15.626 ( 1.264 0.214 -3.074) 3.330 19.335 ( 11.709 4.956 -17.983) 22.024 19.689 ( -10.765 -7.346 18.582) 22.697 ======================= Grid point 53 (41/781) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 1.198 1.978 -0.685) 2.412 2.876 ( 0.664 -2.095 1.515) 2.669 4.395 ( -9.389 -6.111 -8.198) 13.882 5.776 ( -11.568 12.733 1.665) 17.283 6.915 ( 4.796 10.688 -0.654) 11.733 10.053 ( -6.963 -14.996 2.965) 16.797 11.495 ( -12.308 17.718 -8.091) 23.041 13.304 ( -7.763 -0.106 4.821) 9.139 14.217 ( -1.027 -8.815 4.102) 9.777 15.666 ( 3.303 1.052 -1.457) 3.760 19.495 ( -10.314 -6.828 17.173) 21.164 19.534 ( 12.210 5.030 -17.210) 21.693 ======================= Grid point 54 (42/781) ======================= q-point: (-0.35 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 2.026 1.805 1.094) 2.926 2.867 ( -0.163 -1.517 0.819) 1.732 4.085 ( -15.580 -7.395 -13.188) 21.710 5.660 ( -17.026 11.660 2.404) 20.775 7.174 ( 13.468 10.689 -0.655) 17.207 9.680 ( -18.316 -19.182 3.243) 26.720 11.422 ( -13.457 17.575 -9.958) 24.272 13.124 ( -11.162 -7.310 6.332) 14.769 14.082 ( -7.171 -7.068 4.826) 11.165 15.737 ( 3.746 1.091 -0.002) 3.902 19.311 ( -9.546 -5.966 14.578) 18.418 19.743 ( 12.567 4.717 -15.275) 20.335 ======================= Grid point 55 (43/781) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 1.774 0.458 4.733) 5.075 2.842 ( -1.560 -0.464 -1.279) 2.070 3.661 ( -20.580 -7.415 -17.221) 27.840 5.445 ( -21.540 9.598 2.978) 23.769 7.557 ( 19.739 10.126 -1.911) 22.267 9.097 ( -28.274 -21.261 4.293) 35.635 11.330 ( -14.066 17.931 -11.389) 25.477 12.830 ( -12.997 -15.196 7.888) 21.496 13.871 ( -13.148 -3.776 4.885) 14.525 15.802 ( 2.469 0.565 1.290) 2.843 19.145 ( -8.362 -4.929 11.388) 14.964 19.959 ( 12.816 4.234 -12.885) 18.660 ======================= Grid point 56 (44/781) ======================= q-point: (-0.25 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( -5.555 -3.301 7.606) 9.980 2.825 ( -0.213 1.119 -0.064) 1.141 3.166 ( -22.585 -5.289 -22.513) 32.325 5.149 ( -23.829 6.840 3.269) 25.006 7.971 ( 13.181 8.147 -10.353) 18.636 8.392 ( -26.718 -19.913 12.402) 35.555 11.236 ( -14.010 18.844 -12.367) 26.539 12.447 ( -13.592 -22.119 9.370) 27.601 13.596 ( -18.655 -0.471 4.356) 19.163 15.833 ( 0.176 -0.114 2.503) 2.511 19.002 ( -6.726 -3.682 7.338) 10.613 20.181 ( 12.952 3.540 -9.858) 16.658 ======================= Grid point 57 (45/781) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -23.783 -7.689 -2.284) 25.099 2.699 ( -14.518 -0.296 -0.851) 14.546 2.887 ( -0.107 0.956 -11.213) 11.254 4.811 ( -23.074 3.950 3.060) 23.609 7.419 ( -44.642 -13.833 -3.075) 46.838 8.564 ( 25.179 3.605 4.687) 25.863 11.158 ( -13.302 20.329 -12.858) 27.487 12.009 ( -13.232 -26.795 10.634) 31.720 13.261 ( -23.197 1.783 3.396) 23.512 15.820 ( -2.305 -0.579 3.455) 4.193 18.891 ( -4.799 -2.351 2.953) 6.106 20.406 ( 12.905 2.642 -6.463) 14.673 ======================= Grid point 58 (46/781) ======================= q-point: (-0.15 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -30.546 -4.889 -6.826) 31.679 2.436 ( -17.792 -0.147 -0.498) 17.800 2.861 ( -2.429 -0.246 -3.100) 3.946 4.485 ( -19.029 1.505 2.033) 19.197 6.489 ( -50.568 -8.886 -0.726) 51.348 9.037 ( 25.340 2.615 1.690) 25.530 11.113 ( -12.082 22.056 -12.611) 28.133 11.558 ( -12.024 -27.814 11.364) 32.363 12.872 ( -26.144 2.189 2.032) 26.314 15.768 ( -4.236 -0.560 3.326) 5.415 18.813 ( -2.906 -1.089 -0.369) 3.125 20.627 ( 12.485 1.489 -3.083) 12.946 ======================= Grid point 59 (47/781) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -30.737 -0.000 0.000) 30.737 2.079 ( -24.200 -0.000 0.000) 24.200 2.759 ( -9.565 -0.000 0.000) 9.565 4.223 ( -13.176 -0.000 0.000) 13.176 5.580 ( -50.786 -0.000 0.000) 50.786 9.460 ( 22.638 0.000 -0.000) 22.638 11.070 ( -10.660 -0.000 0.000) 10.660 11.190 ( -9.683 -0.000 0.000) 9.683 12.438 ( -26.936 -0.000 0.000) 26.936 15.690 ( -5.218 -0.000 0.000) 5.218 18.771 ( -1.285 -0.000 0.000) 1.285 20.832 ( 11.434 0.000 -0.000) 11.434 ======================= Grid point 64 (48/781) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 0.000 13.075 44.442) 46.325 1.870 ( -0.000 25.295 7.005) 26.247 2.818 ( 0.000 15.943 22.031) 27.195 4.077 ( -0.000 8.742 -3.955) 9.595 5.082 ( -0.000 49.902 -7.434) 50.452 9.605 ( -0.000 -18.879 -7.268) 20.230 10.403 ( -0.000 -2.417 -9.300) 9.609 11.915 ( -0.000 29.769 8.997) 31.099 12.031 ( 0.000 14.948 6.516) 16.307 15.253 ( -0.000 19.126 -39.813) 44.168 18.893 ( 0.000 -13.083 13.834) 19.041 21.078 ( 0.000 -10.193 15.842) 18.838 ======================= Grid point 65 (49/781) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 3.909 12.756 31.951) 34.625 2.193 ( 7.472 20.969 7.346) 23.441 3.034 ( 2.045 9.697 27.391) 29.129 4.197 ( 4.260 12.139 -5.005) 13.804 5.662 ( 11.450 51.556 -6.759) 53.243 9.339 ( -6.297 -19.945 -7.559) 22.240 10.499 ( 16.301 -2.200 -9.158) 18.826 11.896 ( -19.343 22.928 9.166) 31.367 12.489 ( 14.068 23.864 5.052) 28.159 15.356 ( 3.850 15.380 -30.750) 34.597 18.798 ( -0.728 -9.570 3.247) 10.132 21.001 ( -2.731 -10.602 17.774) 20.875 ======================= Grid point 66 (50/781) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 6.983 9.614 16.251) 20.132 2.526 ( 7.644 15.192 7.049) 18.410 3.241 ( 2.359 7.553 34.000) 34.909 4.437 ( 8.837 17.851 -5.633) 20.700 6.390 ( 20.203 45.412 -6.389) 50.112 8.977 ( -11.023 -19.265 -6.563) 23.146 10.820 ( 26.510 -2.173 -8.741) 27.998 11.837 ( -17.401 23.771 8.741) 30.729 12.936 ( 10.030 23.792 2.885) 25.981 15.484 ( 5.039 10.830 -22.305) 25.302 18.711 ( -0.017 -5.821 -5.666) 8.124 20.888 ( -4.858 -10.417 19.370) 22.524 ======================= Grid point 67 (51/781) ======================= q-point: ( 0.30 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 6.910 4.497 2.589) 8.642 2.767 ( 4.411 9.288 5.495) 11.658 3.477 ( 4.065 8.644 38.742) 39.903 4.796 ( 10.869 23.635 -5.089) 26.508 7.149 ( 25.909 32.592 -8.775) 42.550 8.580 ( -13.776 -14.399 -2.455) 20.078 11.267 ( 30.481 -1.282 -8.780) 31.746 11.830 ( -14.129 24.576 8.394) 29.565 13.305 ( 7.069 21.228 1.175) 22.404 15.597 ( 4.559 6.732 -15.929) 17.884 18.657 ( 1.656 -2.518 -12.064) 12.434 20.752 ( -6.492 -9.920 20.497) 23.679 ======================= Grid point 68 (52/781) ======================= q-point: ( 0.35 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 5.185 0.577 -3.999) 6.573 2.889 ( 0.819 4.596 3.841) 6.045 3.769 ( 6.709 9.255 36.632) 38.374 5.204 ( 9.051 26.995 -3.962) 28.746 7.703 ( 15.503 0.192 -20.632) 25.808 8.357 ( -1.634 10.592 11.296) 15.571 11.693 ( 13.242 8.948 -9.440) 18.561 11.941 ( 5.634 16.412 8.605) 19.368 13.595 ( 5.133 16.915 0.078) 17.677 15.670 ( 2.977 3.313 -11.504) 12.336 18.652 ( 4.028 0.202 -15.966) 16.468 20.598 ( -7.835 -9.364 20.991) 24.283 ======================= Grid point 69 (53/781) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 3.605 -1.070 -5.765) 6.883 2.922 ( -1.294 1.647 3.273) 3.886 4.074 ( 7.813 7.520 29.177) 31.127 5.576 ( 4.654 26.780 -2.775) 27.322 7.554 ( -7.606 -12.576 -15.810) 21.586 8.798 ( 21.781 18.629 8.594) 29.922 11.827 ( -8.086 22.341 -3.766) 24.056 12.370 ( 25.266 5.199 2.474) 25.914 13.810 ( 4.116 11.372 -0.249) 12.096 15.693 ( 0.959 0.714 -8.615) 8.698 18.705 ( 6.615 2.205 -17.738) 19.059 20.428 ( -8.982 -8.874 20.800) 24.332 ======================= Grid point 70 (54/781) ======================= q-point: ( 0.45 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 2.501 -0.989 -5.684) 6.288 2.909 ( -1.853 -0.378 3.178) 3.698 4.332 ( 6.995 4.330 19.904) 21.537 5.847 ( -0.385 22.219 -1.645) 22.284 7.277 ( -10.443 -2.760 -10.620) 15.148 9.340 ( 23.058 8.339 5.855) 25.209 11.884 ( -10.291 23.925 -4.179) 26.377 12.835 ( 21.901 5.778 2.364) 22.773 13.956 ( 3.952 4.766 0.299) 6.198 15.671 ( -0.599 -0.835 -6.785) 6.863 18.811 ( 8.839 3.442 -17.991) 20.338 20.245 ( -9.883 -8.440 20.007) 23.857 ======================= Grid point 71 (55/781) ======================= q-point: ( 0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 1.739 0.129 -5.017) 5.311 2.879 ( -1.273 -1.949 3.258) 4.004 4.499 ( 4.418 0.623 10.435) 11.349 5.984 ( -3.898 14.555 -0.499) 15.076 7.109 ( -10.536 9.936 -6.915) 16.048 9.745 ( 18.812 -1.523 4.803) 19.475 11.920 ( -11.509 24.061 -5.765) 27.288 13.213 ( 13.718 7.588 3.205) 16.001 14.040 ( 4.754 -2.812 1.705) 5.781 15.628 ( -0.864 -1.159 -5.525) 5.711 18.959 ( 10.407 4.049 -17.368) 20.648 20.050 ( -10.432 -7.986 18.763) 22.906 ======================= Grid point 72 (56/781) ======================= q-point: ( 0.55 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 1.226 1.562 -4.129) 4.581 2.852 ( -0.047 -2.999 3.344) 4.492 4.545 ( -0.041 -2.811 1.925) 3.407 6.022 ( -4.525 9.433 0.786) 10.491 7.060 ( -10.409 18.578 -4.170) 21.700 9.959 ( 11.329 -9.830 4.226) 15.583 11.928 ( -12.958 23.790 -7.516) 28.113 13.441 ( 2.469 7.826 3.903) 9.087 14.079 ( 6.375 -9.437 3.678) 11.968 15.599 ( 0.493 -0.466 -4.408) 4.460 19.135 ( 11.388 4.253 -16.314) 20.345 19.850 ( -10.590 -7.441 17.213) 21.536 ======================= Grid point 73 (57/781) ======================= q-point: (-0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 1.077 2.509 -2.965) 4.031 2.840 ( 1.084 -3.214 3.162) 4.637 4.452 ( -5.972 -5.105 -4.407) 9.008 6.036 ( -4.905 8.936 1.728) 10.339 7.082 ( -8.119 20.039 -2.528) 21.769 9.956 ( 1.714 -15.928 3.785) 16.461 11.902 ( -14.530 23.442 -9.122) 29.050 13.457 ( -7.484 1.818 4.842) 9.098 14.100 ( 5.581 -9.967 5.115) 12.516 15.615 ( 2.723 0.451 -3.175) 4.207 19.328 ( 12.002 4.249 -15.118) 19.765 19.651 ( -10.416 -6.794 15.547) 19.909 ======================= Grid point 74 (58/781) ======================= q-point: (-0.35 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 1.444 2.468 -1.335) 3.156 2.842 ( 1.319 -2.514 2.414) 3.726 4.224 ( -12.207 -5.931 -8.247) 15.881 6.021 ( -9.649 10.410 2.074) 14.345 7.175 ( -0.568 16.546 -1.855) 16.659 9.733 ( -8.869 -19.222 3.425) 21.444 11.843 ( -15.877 23.244 -10.440) 30.022 13.269 ( -12.552 -8.053 6.491) 16.265 14.090 ( 0.373 -6.051 5.207) 7.992 15.675 ( 4.244 0.838 -1.856) 4.707 19.458 ( -9.834 -4.898 9.879) 14.774 19.533 ( 12.279 2.963 -9.897) 16.047 ======================= Grid point 75 (59/781) ======================= q-point: (-0.30 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 2.007 1.517 1.068) 2.733 2.844 ( 0.327 -1.312 0.773) 1.558 3.885 ( -17.948 -5.573 -10.153) 21.361 5.901 ( -17.785 10.644 2.138) 20.836 7.389 ( 10.229 11.831 -1.969) 15.763 9.314 ( -19.376 -19.437 3.315) 27.644 11.762 ( -16.702 23.347 -11.425) 30.896 12.935 ( -14.935 -16.599 8.304) 23.823 14.016 ( -6.011 -2.521 4.452) 7.894 15.752 ( 4.123 0.647 -0.634) 4.222 19.278 ( -9.303 -4.365 9.179) 13.778 19.746 ( 12.781 3.030 -9.635) 16.290 ======================= Grid point 76 (60/781) ======================= q-point: (-0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 1.124 -0.668 7.141) 7.259 2.826 ( -1.112 0.481 -4.548) 4.707 3.462 ( -22.647 -4.152 -10.492) 25.302 5.644 ( -23.956 8.038 1.936) 25.343 7.728 ( 18.468 8.629 -3.134) 20.624 8.737 ( -28.868 -16.949 4.114) 33.728 11.673 ( -16.820 23.851 -12.075) 31.585 12.507 ( -15.957 -22.697 9.929) 29.468 13.862 ( -12.035 -0.315 3.241) 12.468 15.814 ( 2.555 0.227 0.344) 2.588 19.116 ( -8.270 -2.991 5.864) 10.570 19.965 ( 13.063 2.248 -6.728) 14.865 ======================= Grid point 77 (61/781) ======================= q-point: (-0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( -9.949 -2.027 4.068) 10.938 2.839 ( 1.823 0.397 -0.201) 1.877 3.008 ( -22.763 -1.120 -9.371) 24.642 5.279 ( -26.178 3.805 1.290) 26.484 7.996 ( -29.187 1.232 -10.216) 30.948 8.197 ( 14.834 -6.582 10.793) 19.489 11.595 ( -16.168 24.796 -12.357) 32.077 12.029 ( -15.783 -26.069 11.248) 32.484 13.622 ( -17.490 0.564 1.736) 17.585 15.840 ( 0.219 -0.070 0.794) 0.827 18.979 ( -6.825 -1.464 2.399) 7.381 20.189 ( 13.221 1.232 -3.371) 13.699 ======================= Grid point 78 (62/781) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -27.333 -0.000 0.000) 27.333 2.696 ( -13.966 -0.000 0.000) 13.966 2.868 ( 0.727 0.000 -0.000) 0.727 4.867 ( -24.336 -0.000 0.000) 24.336 7.266 ( -46.131 -0.000 0.000) 46.131 8.613 ( 26.253 0.000 -0.000) 26.253 11.519 ( -15.704 -0.000 0.000) 15.704 11.578 ( -13.398 -0.000 0.000) 13.398 13.293 ( -22.264 -0.000 0.000) 22.264 15.824 ( -2.189 -0.000 0.000) 2.189 18.874 ( -5.015 -0.000 0.000) 5.015 20.413 ( 13.103 0.000 -0.000) 13.103 ======================= Grid point 85 (63/781) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 0.000 10.557 22.296) 24.669 2.347 ( 0.000 18.910 8.019) 20.540 3.198 ( 0.000 8.869 33.342) 34.502 4.261 ( -0.000 12.946 -5.062) 13.900 6.067 ( -0.000 53.097 -7.847) 53.674 9.177 ( -0.000 -19.680 -6.927) 20.864 10.318 ( -0.000 -0.668 -9.258) 9.282 12.368 ( 0.000 15.793 5.850) 16.842 12.557 ( -0.000 30.304 8.831) 31.565 15.387 ( -0.000 14.414 -27.508) 31.055 18.717 ( -0.000 -7.921 -2.897) 8.434 20.972 ( 0.000 -11.033 19.310) 22.239 ======================= Grid point 86 (64/781) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 2.559 7.400 11.074) 13.563 2.582 ( 4.834 14.315 7.871) 17.037 3.397 ( 1.067 8.585 38.190) 39.158 4.443 ( 7.110 16.117 -5.253) 18.382 6.599 ( 7.228 46.634 -9.295) 48.097 8.928 ( -6.012 -16.436 -4.830) 18.155 10.423 ( 15.366 -0.273 -8.849) 17.734 12.370 ( -15.395 20.747 6.847) 26.726 13.002 ( 10.720 25.027 6.032) 27.886 15.462 ( 2.550 10.945 -22.210) 24.891 18.635 ( 0.063 -5.010 -8.937) 10.246 20.903 ( -2.353 -10.818 20.400) 23.211 ======================= Grid point 87 (65/781) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 3.800 3.565 1.975) 5.572 2.799 ( 4.259 8.990 6.612) 11.945 3.624 ( 2.283 8.859 39.543) 40.588 4.784 ( 13.558 20.350 -4.481) 24.860 7.115 ( 11.799 30.157 -13.437) 35.060 8.667 ( -9.374 -6.229 0.605) 11.271 10.751 ( 25.791 -0.024 -8.153) 27.049 12.344 ( -15.096 23.394 6.364) 28.560 13.395 ( 7.399 21.283 3.633) 22.823 15.546 ( 3.649 6.890 -16.867) 18.582 18.575 ( 0.903 -2.055 -13.538) 13.723 20.805 ( -4.308 -10.204 20.949) 23.697 ======================= Grid point 88 (66/781) ======================= q-point: ( 0.35 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 3.910 0.485 -3.073) 4.996 2.929 ( 1.317 4.690 4.829) 6.860 3.873 ( 3.962 8.426 36.358) 37.531 5.239 ( 15.162 23.690 -3.049) 28.292 7.423 ( 10.424 1.239 -20.465) 23.000 8.579 ( -5.664 15.454 9.378) 18.943 11.214 ( 30.772 0.742 -7.685) 31.725 12.357 ( -13.257 24.956 5.599) 28.808 13.686 ( 4.121 17.063 1.791) 17.645 15.614 ( 3.416 3.273 -12.356) 13.231 18.552 ( 2.550 0.423 -16.307) 16.510 20.683 ( -5.992 -9.472 20.860) 23.680 ======================= Grid point 89 (67/781) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 3.669 -1.138 -5.013) 6.316 2.971 ( -1.232 1.876 3.638) 4.275 4.121 ( 5.045 6.447 29.579) 30.691 5.696 ( 10.878 24.313 -1.575) 26.682 7.401 ( 3.818 -12.152 -20.138) 23.828 8.814 ( 4.559 23.365 11.152) 26.288 11.724 ( 29.010 3.204 -8.561) 30.416 12.422 ( -9.028 24.414 5.999) 26.712 13.880 ( 1.625 12.244 0.823) 12.379 15.648 ( 2.128 0.501 -8.989) 9.251 18.577 ( 4.830 2.205 -17.350) 18.144 20.541 ( -7.499 -8.801 20.119) 23.205 ======================= Grid point 90 (68/781) ======================= q-point: ( 0.45 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 3.510 -1.426 -5.407) 6.602 2.955 ( -2.652 0.010 3.173) 4.135 4.329 ( 4.928 3.364 20.981) 21.813 6.027 ( 2.937 18.746 -0.466) 18.981 7.305 ( 1.314 -2.083 -15.616) 15.809 9.167 ( 10.811 13.860 9.330) 19.900 12.135 ( 11.382 13.119 -11.362) 20.754 12.608 ( 7.092 16.010 8.284) 19.371 13.986 ( -0.210 6.821 0.911) 6.885 15.643 ( 0.524 -1.211 -6.775) 6.902 18.656 ( 7.244 3.240 -17.045) 18.802 20.377 ( -8.796 -8.218 18.824) 22.344 ======================= Grid point 91 (69/781) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 3.473 -0.721 -5.232) 6.321 2.909 ( -2.970 -1.385 3.252) 4.617 4.467 ( 3.603 0.057 12.069) 12.595 6.152 ( -2.823 8.521 0.044) 8.976 7.336 ( -1.826 15.848 -10.701) 19.209 9.472 ( 13.195 1.162 7.733) 15.338 12.304 ( -6.068 22.849 -10.558) 25.891 12.992 ( 19.426 7.541 6.912) 21.955 14.011 ( -1.637 0.507 1.998) 2.632 15.609 ( -0.410 -1.758 -5.449) 5.740 18.781 ( 9.272 3.652 -15.886) 18.753 20.196 ( -9.761 -7.645 17.126) 21.143 ======================= Grid point 92 (70/781) ======================= q-point: ( 0.55 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 3.359 0.631 -4.997) 6.055 2.854 ( -2.280 -2.517 3.757) 5.064 4.518 ( 1.013 -2.638 4.212) 5.072 6.148 ( -3.322 3.411 0.823) 4.832 7.444 ( -8.125 26.882 -6.891) 28.916 9.666 ( 12.214 -9.980 6.363) 17.008 12.357 ( -11.309 25.205 -10.200) 29.449 13.385 ( 15.448 6.857 5.659) 17.824 13.954 ( -1.910 -7.349 3.965) 8.566 15.574 ( 0.030 -1.294 -4.580) 4.760 18.942 ( 10.696 3.665 -14.282) 18.216 20.002 ( -10.295 -6.972 15.159) 19.606 ======================= Grid point 93 (71/781) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 2.822 2.242 -4.903) 6.086 2.811 ( -0.689 -3.442 4.532) 5.732 4.473 ( -2.997 -4.152 -1.424) 5.315 6.140 ( -1.346 2.933 1.533) 3.573 7.518 ( -13.830 29.141 -4.429) 32.559 9.720 ( 7.880 -17.320 5.065) 19.691 12.360 ( -14.035 25.686 -10.499) 31.096 13.604 ( -2.928 5.361 4.401) 7.529 13.881 ( 7.596 -13.157 6.570) 16.552 15.568 ( 1.770 -0.374 -3.718) 4.135 19.126 ( 11.590 3.453 -12.448) 17.355 19.805 ( -10.413 -6.118 13.005) 17.748 ======================= Grid point 94 (72/781) ======================= q-point: (-0.35 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 1.706 3.252 -4.366) 5.704 2.795 ( 1.395 -3.713 4.743) 6.183 4.328 ( -8.200 -4.397 -4.447) 10.312 6.168 ( -0.314 3.905 1.659) 4.255 7.521 ( -15.330 24.940 -2.894) 29.417 9.624 ( 0.571 -19.607 3.825) 19.985 12.325 ( -16.042 25.663 -10.893) 32.165 13.420 ( -13.414 -10.361 6.533) 18.165 13.984 ( 8.044 -3.980 5.390) 10.469 15.606 ( 3.776 0.299 -2.606) 4.598 19.325 ( 12.138 3.138 -10.656) 16.454 19.611 ( -10.218 -5.120 10.913) 15.803 ======================= Grid point 95 (73/781) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 1.243 2.222 -1.966) 3.216 2.810 ( 2.180 -2.219 2.787) 4.177 4.088 ( -13.860 -3.623 -5.184) 15.234 6.183 ( -4.939 5.051 1.420) 7.206 7.500 ( -8.696 16.159 -2.006) 18.460 9.385 ( -8.864 -16.716 2.703) 19.112 12.259 ( -17.370 25.512 -11.219) 32.840 13.051 ( -15.804 -18.453 8.611) 25.777 14.051 ( 1.048 -1.247 3.623) 3.972 15.678 ( 4.784 0.423 -1.375) 4.996 19.425 ( -9.770 -2.650 4.520) 11.087 19.533 ( 12.472 1.381 -4.522) 13.338 ======================= Grid point 96 (74/781) ======================= q-point: (-0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 1.952 0.603 0.515) 2.107 2.828 ( 0.626 -0.534 0.288) 0.872 3.767 ( -19.176 -2.076 -3.868) 19.672 6.061 ( -16.060 4.183 0.897) 16.620 7.576 ( 5.855 6.741 -1.320) 9.025 9.024 ( -19.337 -9.716 1.662) 21.705 12.175 ( -17.837 25.408 -11.422) 33.079 12.594 ( -17.185 -23.310 10.220) 30.711 14.015 ( -5.496 -0.212 1.806) 5.789 15.757 ( 4.296 0.204 -0.375) 4.317 19.255 ( -9.244 -1.620 3.103) 9.884 19.748 ( 12.884 1.044 -3.261) 13.331 ======================= Grid point 97 (75/781) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 2.547 0.000 -0.000) 2.547 2.811 ( -2.741 -0.000 0.000) 2.741 3.390 ( -23.254 -0.000 0.000) 23.254 5.735 ( -24.364 -0.000 0.000) 24.364 7.817 ( 18.242 0.000 -0.000) 18.242 8.563 ( -29.711 -0.000 0.000) 29.711 12.087 ( -16.683 -0.000 0.000) 16.683 12.097 ( -18.029 -0.000 0.000) 18.029 13.872 ( -11.603 -0.000 0.000) 11.603 15.817 ( 2.589 0.000 -0.000) 2.589 19.103 ( -8.288 -0.000 0.000) 8.288 19.968 ( 13.149 0.000 -0.000) 13.149 ======================= Grid point 106 (76/781) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 0.000 4.614 5.048) 6.839 2.694 ( 0.000 12.028 8.036) 14.465 3.589 ( 0.000 8.903 40.400) 41.370 4.518 ( -0.000 16.333 -5.281) 17.166 6.933 ( -0.000 37.768 -12.880) 39.903 8.845 ( 0.000 -8.148 -1.029) 8.213 10.267 ( -0.000 0.751 -8.720) 8.752 12.707 ( -0.000 15.654 5.001) 16.433 13.177 ( -0.000 28.141 7.447) 29.110 15.476 ( -0.000 8.680 -20.167) 21.955 18.565 ( -0.000 -2.866 -12.378) 12.705 20.879 ( 0.000 -10.599 20.980) 23.505 ======================= Grid point 107 (77/781) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 1.445 1.942 0.149) 2.425 2.844 ( 2.613 8.322 7.207) 11.315 3.799 ( 0.801 8.487 39.346) 40.259 4.750 ( 9.677 17.928 -4.569) 20.879 7.195 ( 2.843 17.690 -17.733) 25.208 8.800 ( -4.753 8.332 4.741) 10.700 10.382 ( 14.947 1.111 -8.041) 17.009 12.782 ( -9.580 18.144 4.873) 21.089 13.514 ( 5.120 23.767 5.495) 24.925 15.508 ( 2.065 5.282 -16.949) 17.873 18.510 ( 0.333 -0.489 -14.979) 14.991 20.822 ( -2.122 -9.927 20.988) 23.314 ======================= Grid point 108 (78/781) ======================= q-point: ( 0.35 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 2.294 -0.163 -2.888) 3.692 2.965 ( 1.603 4.708 5.582) 7.475 4.006 ( 1.783 7.199 35.034) 35.810 5.156 ( 17.363 19.528 -2.827) 26.283 7.248 ( 2.685 -3.699 -20.633) 21.134 8.897 ( -5.501 24.552 8.988) 26.717 10.720 ( 25.540 1.405 -7.022) 26.524 12.808 ( -10.978 20.815 4.015) 23.873 13.804 ( 2.971 18.713 3.391) 19.249 15.545 ( 3.283 1.954 -13.222) 13.763 18.482 ( 1.198 1.471 -16.347) 16.457 20.738 ( -4.059 -9.068 20.346) 22.642 ======================= Grid point 109 (79/781) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 2.862 -1.407 -4.307) 5.359 3.019 ( -0.705 2.134 4.030) 4.614 4.197 ( 2.667 4.900 28.420) 28.963 5.659 ( 18.521 20.110 -0.619) 27.346 7.148 ( 3.634 -12.039 -19.965) 23.596 9.106 ( -4.374 27.741 9.876) 29.770 11.201 ( 31.101 1.949 -6.202) 31.773 12.846 ( -10.470 22.265 2.804) 24.763 13.996 ( 0.047 13.890 2.003) 14.034 15.575 ( 3.307 -0.676 -9.666) 10.238 18.487 ( 2.806 2.777 -16.501) 16.967 20.628 ( -5.874 -8.232 19.064) 21.580 ======================= Grid point 110 (80/781) ======================= q-point: ( 0.45 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 3.390 -1.763 -4.696) 6.054 3.012 ( -2.605 0.445 3.083) 4.061 4.350 ( 2.907 1.948 20.459) 20.756 6.094 ( 9.616 15.702 1.478) 18.471 7.102 ( 10.544 -5.709 -17.805) 21.466 9.313 ( -3.301 20.947 9.616) 23.284 11.743 ( 31.637 3.232 -6.313) 32.422 12.906 ( -8.817 22.038 2.281) 23.845 14.091 ( -2.545 9.126 1.716) 9.628 15.583 ( 2.301 -2.325 -6.898) 7.634 18.536 ( 5.015 3.407 -15.635) 16.770 20.491 ( -7.534 -7.488 17.252) 20.260 ======================= Grid point 111 (81/781) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 3.970 -1.384 -4.559) 6.202 2.965 ( -3.658 -0.703 2.739) 4.624 4.449 ( 2.403 -0.837 12.334) 12.594 6.251 ( -1.459 4.462 1.048) 4.810 7.328 ( 15.916 12.270 -13.149) 24.016 9.444 ( -1.895 9.055 9.181) 13.034 12.260 ( 25.123 7.098 -8.683) 27.512 13.001 ( -3.711 18.412 4.084) 19.221 14.098 ( -5.005 4.125 2.440) 6.930 15.568 ( 1.068 -2.840 -5.113) 5.945 18.631 ( 7.356 3.472 -14.020) 16.209 20.330 ( -8.911 -6.771 15.066) 18.768 ======================= Grid point 112 (82/781) ======================= q-point: ( 0.55 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 4.532 -0.508 -4.239) 6.226 2.898 ( -3.815 -1.482 2.850) 4.987 4.487 ( 1.161 -2.684 5.385) 6.128 6.222 ( -3.335 0.415 0.887) 3.475 7.701 ( 8.464 24.899 -9.455) 27.947 9.478 ( 0.796 -5.211 8.541) 10.036 12.625 ( 6.921 16.915 -12.929) 22.387 13.195 ( 9.982 8.087 7.931) 15.098 14.015 ( -7.715 -1.290 3.766) 8.682 15.541 ( 0.529 -2.328 -4.051) 4.703 18.767 ( 9.354 3.173 -11.929) 15.488 20.150 ( -9.860 -5.949 12.633) 17.094 ======================= Grid point 113 (83/781) ======================= q-point: ( 0.60 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 4.853 0.617 -4.003) 6.321 2.830 ( -3.131 -2.006 3.294) 4.968 4.468 ( -1.040 -3.305 0.606) 3.517 6.182 ( -1.840 0.368 1.198) 2.226 7.989 ( -5.171 31.659 -7.007) 32.835 9.433 ( 5.091 -18.005 7.273) 20.075 12.767 ( -7.460 23.625 -12.902) 27.933 13.504 ( 17.607 -0.588 7.653) 19.207 13.834 ( -10.984 -6.102 5.113) 13.565 15.525 ( 1.188 -1.266 -3.242) 3.677 18.934 ( 10.781 2.677 -9.538) 14.641 19.959 ( -10.322 -4.900 10.002) 15.185 ======================= Grid point 114 (84/781) ======================= q-point: (-0.35 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 4.575 1.859 -4.207) 6.488 2.777 ( -1.705 -2.527 4.110) 5.117 4.390 ( -4.535 -2.885 -1.724) 5.644 6.181 ( 0.645 0.898 1.096) 1.557 8.072 ( -18.167 28.598 -4.326) 34.156 9.363 ( 7.695 -21.320 4.869) 23.183 12.791 ( -12.992 24.973 -11.652) 30.467 13.536 ( -11.269 -16.837 8.080) 21.812 13.799 ( 11.822 1.967 4.091) 12.664 15.543 ( 2.786 -0.316 -2.257) 3.599 19.123 ( 11.671 2.027 -6.885) 13.701 19.768 ( -10.373 -3.560 7.145) 13.089 ======================= Grid point 115 (85/781) ======================= q-point: (-0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 2.306 3.603 -5.684) 7.114 2.753 ( 1.352 -3.757 5.880) 7.107 4.247 ( -9.232 -1.716 -1.837) 9.568 6.221 ( 2.022 1.083 0.646) 2.383 7.924 ( -21.813 14.368 -1.714) 26.176 9.303 ( 2.694 -12.146 2.067) 12.612 12.756 ( -15.781 24.799 -10.865) 31.338 13.150 ( -15.299 -20.656 9.223) 27.309 13.982 ( 7.250 0.055 2.131) 7.557 15.598 ( 4.357 0.083 -1.044) 4.482 19.324 ( 12.204 1.220 -3.985) 12.896 19.584 ( -10.167 -1.974 4.070) 11.128 ======================= Grid point 116 (86/781) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 0.726 0.000 -0.000) 0.726 2.794 ( 2.941 0.000 -0.000) 2.941 4.036 ( -14.416 -0.000 0.000) 14.416 6.236 ( -2.844 -0.000 0.000) 2.844 7.677 ( -12.882 -0.000 0.000) 12.882 9.207 ( -7.937 -0.000 0.000) 7.937 12.682 ( -18.159 -0.000 0.000) 18.159 12.687 ( -16.244 -0.000 0.000) 16.244 14.054 ( 0.953 0.000 -0.000) 0.953 15.678 ( 4.965 0.000 -0.000) 4.965 19.412 ( -9.814 -0.000 0.000) 9.814 19.534 ( 12.582 0.000 -0.000) 12.582 ======================= Grid point 127 (87/781) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -0.000 0.263 -1.727) 1.747 2.917 ( 0.000 6.708 6.962) 9.668 3.983 ( 0.000 7.292 37.258) 37.965 4.818 ( -0.000 17.006 -4.584) 17.613 7.214 ( -0.000 1.522 -19.925) 19.983 9.017 ( 0.000 23.433 7.929) 24.738 10.243 ( -0.000 1.658 -7.708) 7.885 13.028 ( -0.000 14.473 4.072) 15.035 13.729 ( -0.000 24.497 5.512) 25.109 15.481 ( -0.000 2.638 -16.011) 16.227 18.467 ( -0.000 1.265 -15.789) 15.839 20.807 ( 0.000 -9.196 20.478) 22.448 ======================= Grid point 128 (88/781) ======================= q-point: ( 0.35 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 0.975 -1.037 -3.082) 3.395 3.003 ( 1.043 4.393 5.829) 7.373 4.150 ( 0.354 5.335 32.562) 32.998 5.068 ( 11.527 16.652 -3.362) 20.529 7.114 ( -0.312 -8.724 -19.419) 21.291 9.277 ( -3.976 30.714 8.802) 32.196 10.370 ( 14.943 1.974 -6.685) 16.488 13.131 ( -5.163 15.155 3.370) 16.361 13.978 ( 0.706 20.818 4.106) 21.231 15.467 ( 2.162 -0.081 -13.826) 13.995 18.442 ( 0.354 2.594 -15.768) 15.984 20.763 ( -2.067 -8.233 19.328) 21.110 ======================= Grid point 129 (89/781) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 1.814 -1.796 -3.780) 4.561 3.059 ( -0.123 2.302 4.300) 4.879 4.286 ( 0.862 2.834 25.947) 26.115 5.494 ( 20.078 16.146 -1.082) 25.787 6.948 ( -0.087 -11.801 -17.638) 21.222 9.513 ( -6.439 29.872 8.380) 31.686 10.721 ( 25.476 2.285 -5.274) 26.116 13.189 ( -6.747 16.396 1.920) 17.833 14.163 ( -1.528 16.273 2.819) 16.586 15.470 ( 3.668 -2.321 -10.697) 11.544 18.439 ( 1.178 3.331 -14.988) 15.399 20.690 ( -4.102 -7.251 17.554) 19.431 ======================= Grid point 130 (90/781) ======================= q-point: ( 0.45 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 2.667 -1.986 -3.917) 5.138 3.067 ( -2.015 0.824 3.037) 3.736 4.384 ( 1.241 0.189 18.520) 18.563 6.001 ( 19.587 14.373 2.401) 24.414 6.824 ( 5.729 -9.182 -16.590) 19.808 9.675 ( -8.792 24.240 7.877) 26.962 11.214 ( 31.279 2.386 -4.294) 31.662 13.237 ( -6.964 16.642 0.216) 18.042 14.259 ( -4.267 12.081 2.447) 13.043 15.479 ( 3.967 -3.804 -7.564) 9.350 18.462 ( 2.739 3.517 -13.568) 14.282 20.586 ( -6.063 -6.348 15.269) 17.613 ======================= Grid point 131 (91/781) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 3.583 -1.681 -3.654) 5.387 3.030 ( -3.537 -0.140 2.282) 4.212 4.440 ( 1.256 -1.848 11.306) 11.525 6.296 ( 1.848 3.850 3.128) 5.293 7.004 ( 25.043 4.584 -13.274) 28.711 9.722 ( -11.586 15.608 7.469) 20.824 11.773 ( 32.893 2.778 -4.101) 33.264 13.280 ( -6.395 15.470 -0.733) 16.755 14.269 ( -7.124 8.014 2.944) 11.119 15.483 ( 3.295 -4.201 -5.153) 7.420 18.522 ( 4.909 3.240 -11.605) 13.011 20.452 ( -7.815 -5.480 12.633) 15.834 ======================= Grid point 132 (92/781) ======================= q-point: ( 0.55 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 4.513 -1.043 -3.132) 5.591 2.964 ( -4.320 -0.695 1.927) 4.782 4.459 ( 0.886 -2.716 5.417) 6.124 6.280 ( -3.280 -0.546 1.141) 3.516 7.538 ( 28.091 13.458 -8.435) 32.270 9.627 ( -14.075 4.899 7.085) 16.502 12.330 ( 30.090 4.254 -5.104) 30.815 13.319 ( -4.839 12.311 0.116) 13.229 14.190 ( -10.160 3.642 3.634) 11.388 15.480 ( 2.328 -3.385 -3.514) 5.406 18.623 ( 7.261 2.642 -9.195) 12.010 20.292 ( -9.182 -4.511 9.776) 14.151 ======================= Grid point 133 (93/781) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 5.304 -0.306 -2.440) 5.846 2.888 ( -4.305 -0.885 1.727) 4.722 4.451 ( -0.036 -2.447 1.552) 2.898 6.223 ( -2.785 -0.399 0.866) 2.943 8.102 ( 21.560 19.232 -6.914) 29.707 9.389 ( -14.731 -7.652 6.879) 17.969 12.813 ( 21.041 8.962 -8.333) 24.341 13.360 ( -0.629 4.495 4.016) 6.060 14.021 ( -12.857 -0.268 3.797) 13.409 15.479 ( 1.751 -1.890 -2.331) 3.475 18.763 ( 9.319 1.873 -6.434) 11.478 20.116 ( -10.041 -3.304 6.750) 12.542 ======================= Grid point 134 (94/781) ======================= q-point: (-0.35 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 5.720 0.228 -1.570) 5.935 2.817 ( -3.586 -0.735 1.346) 3.901 4.419 ( -1.884 -1.433 -0.183) 2.375 6.190 ( -1.072 0.023 0.542) 1.201 8.550 ( 2.286 29.253 -7.173) 30.207 9.059 ( -4.704 -24.282 7.369) 25.808 13.118 ( 0.875 19.867 -12.833) 23.668 13.400 ( 6.028 -14.123 10.787) 18.766 13.815 ( -9.322 0.352 2.089) 9.560 15.493 ( 2.072 -0.585 -1.222) 2.476 18.933 ( 10.797 1.000 -3.378) 11.357 19.933 ( -10.395 -1.787 3.520) 11.119 ======================= Grid point 135 (95/781) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 5.509 0.000 -0.000) 5.509 2.764 ( -2.359 -0.000 0.000) 2.359 4.355 ( -4.995 -0.000 0.000) 4.995 6.193 ( 1.234 0.000 -0.000) 1.234 8.422 ( -26.633 -0.000 0.000) 26.633 9.087 ( 14.656 0.000 -0.000) 14.656 13.149 ( -10.764 -0.000 0.000) 10.764 13.239 ( -11.286 -0.000 0.000) 11.286 13.840 ( 8.589 0.000 -0.000) 8.589 15.532 ( 3.194 0.000 -0.000) 3.194 19.123 ( 11.694 0.000 -0.000) 11.694 19.754 ( -10.379 -0.000 0.000) 10.379 ======================= Grid point 148 (96/781) ======================= q-point: ( 0.35 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -0.000 -1.750 -3.297) 3.733 3.049 ( 0.000 3.472 5.336) 6.366 4.279 ( 0.000 2.855 28.432) 28.575 5.107 ( -0.000 14.751 -3.486) 15.158 6.967 ( -0.000 -11.009 -17.106) 20.342 9.651 ( -0.000 32.287 8.612) 33.416 10.239 ( -0.000 1.986 -6.242) 6.551 13.310 ( -0.000 12.190 3.097) 12.577 14.189 ( -0.000 19.983 3.563) 20.298 15.397 ( -0.000 -2.101 -13.334) 13.498 18.424 ( -0.000 3.274 -14.580) 14.943 20.760 ( 0.000 -7.157 17.718) 19.109 ======================= Grid point 149 (97/781) ======================= q-point: ( 0.40 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 0.852 -2.094 -3.348) 4.040 3.094 ( 0.080 2.185 4.202) 4.737 4.367 ( -0.068 0.330 22.301) 22.303 5.343 ( 12.778 13.046 -2.162) 18.389 6.805 ( -1.014 -10.512 -14.271) 17.754 9.925 ( -5.430 28.433 7.102) 29.805 10.383 ( 15.425 3.066 -4.366) 16.322 13.407 ( -2.722 11.468 2.108) 11.973 14.365 ( -1.743 16.870 2.674) 17.170 15.353 ( 2.492 -3.759 -11.263) 12.132 18.419 ( 0.320 3.446 -12.949) 13.404 20.727 ( -2.148 -6.042 15.523) 16.795 ======================= Grid point 150 (98/781) ======================= q-point: ( 0.45 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 1.753 -2.037 -3.157) 4.146 3.112 ( -1.173 1.034 2.914) 3.307 4.416 ( 0.149 -1.661 15.475) 15.564 5.762 ( 22.229 11.386 0.384) 24.978 6.658 ( -0.521 -8.350 -12.041) 14.662 10.077 ( -8.148 22.566 5.719) 24.664 10.749 ( 24.674 3.132 -2.724) 25.021 13.461 ( -3.990 10.834 0.321) 11.550 14.470 ( -4.365 13.647 2.443) 14.535 15.340 ( 4.277 -5.020 -8.318) 10.616 18.428 ( 1.117 3.227 -10.997) 11.515 20.660 ( -4.322 -4.998 12.849) 14.449 ======================= Grid point 151 (99/781) ======================= q-point: ( 0.50 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 2.760 -1.642 -2.711) 4.202 3.091 ( -2.820 0.238 1.905) 3.411 4.435 ( 0.406 -2.634 9.254) 9.630 6.241 ( 15.979 7.696 5.947) 18.707 6.613 ( 12.457 -3.503 -13.470) 18.678 10.111 ( -12.411 16.044 5.092) 20.914 11.239 ( 30.920 2.077 -2.227) 31.070 13.487 ( -4.379 9.415 -1.252) 10.459 14.496 ( -7.474 10.490 2.847) 13.191 15.348 ( 5.046 -5.344 -5.531) 9.198 18.459 ( 2.639 2.697 -8.737) 9.518 20.559 ( -6.380 -3.994 9.856) 12.401 ======================= Grid point 152 (100/781) ======================= q-point: ( 0.55 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 3.833 -1.032 -2.028) 4.458 3.036 ( -4.074 -0.194 1.237) 4.262 4.437 ( 0.521 -2.424 4.433) 5.079 6.331 ( -2.796 -0.379 1.817) 3.356 7.062 ( 34.355 5.501 -6.329) 35.363 9.993 ( -17.336 8.407 4.156) 19.710 11.799 ( 33.467 1.618 -1.968) 33.563 13.491 ( -4.205 7.137 -1.585) 8.434 14.433 ( -10.956 6.402 2.857) 13.007 15.374 ( 4.803 -3.971 -3.186) 6.999 18.522 ( 4.790 1.915 -6.138) 8.018 20.427 ( -8.128 -2.904 6.680) 10.914 ======================= Grid point 153 (101/781) ======================= q-point: ( 0.60 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 4.845 -0.398 -1.130) 4.991 2.962 ( -4.631 -0.271 0.707) 4.692 4.434 ( 0.349 -1.380 1.359) 1.968 6.273 ( -3.322 -0.374 0.524) 3.384 7.695 ( 34.838 5.271 -2.955) 35.358 9.718 ( -21.924 1.520 2.717) 22.144 12.366 ( 32.106 1.468 -1.693) 32.184 13.473 ( -4.151 3.873 -0.611) 5.710 14.270 ( -13.875 2.075 1.942) 14.163 15.411 ( 3.610 -1.694 -1.367) 4.216 18.623 ( 7.180 0.983 -3.202) 7.923 20.271 ( -9.400 -1.591 3.394) 10.120 ======================= Grid point 154 (102/781) ======================= q-point: (-0.35 -0.65 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 5.577 0.000 -0.000) 5.577 2.884 ( -4.452 -0.000 0.000) 4.452 4.429 ( -0.348 -0.000 0.000) 0.348 6.222 ( -2.547 -0.000 0.000) 2.547 8.286 ( 31.397 0.000 -0.000) 31.397 9.319 ( -25.536 -0.000 0.000) 25.536 12.877 ( 27.013 0.000 -0.000) 27.013 13.413 ( -5.378 -0.000 0.000) 5.378 14.034 ( -14.727 -0.000 0.000) 14.727 15.451 ( 2.369 0.000 -0.000) 2.369 18.763 ( 9.298 0.000 -0.000) 9.298 20.103 ( -10.130 -0.000 0.000) 10.130 ======================= Grid point 170 (103/781) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -0.000 -2.126 -2.916) 3.609 3.124 ( 0.000 1.685 3.564) 3.942 4.419 ( 0.000 -1.958 17.348) 17.458 5.339 ( -0.000 10.579 -2.327) 10.832 6.687 ( -0.000 -8.294 -10.740) 13.570 10.245 ( -0.000 1.739 -4.389) 4.721 10.277 ( -0.000 26.044 6.977) 26.963 13.532 ( -0.000 8.849 2.088) 9.092 14.545 ( -0.000 14.928 1.978) 15.058 15.258 ( -0.000 -4.709 -10.343) 11.364 18.415 ( -0.000 3.132 -10.651) 11.102 20.734 ( 0.000 -4.802 12.975) 13.835 ======================= Grid point 171 (104/781) ======================= q-point: ( 0.45 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 0.855 -1.842 -2.414) 3.154 3.143 ( -0.464 0.984 2.526) 2.750 4.433 ( -0.186 -3.044 11.635) 12.028 5.541 ( 13.630 8.178 -1.186) 15.940 6.581 ( -1.259 -5.753 -7.662) 9.664 10.313 ( 4.612 6.263 -1.522) 7.925 10.536 ( 4.291 15.432 3.939) 16.495 13.597 ( -1.872 7.111 1.047) 7.428 14.663 ( -2.310 12.470 1.807) 12.810 15.203 ( 2.578 -5.553 -8.089) 10.145 18.417 ( 0.321 2.572 -8.246) 8.644 20.708 ( -2.283 -3.639 10.009) 10.892 ======================= Grid point 172 (105/781) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 1.806 -1.304 -1.778) 2.850 3.138 ( -1.743 0.382 1.474) 2.314 4.428 ( -0.032 -2.757 6.506) 7.066 5.936 ( 24.444 5.991 0.957) 25.186 6.490 ( -1.569 -3.653 -6.015) 7.210 10.420 ( -4.442 10.048 1.756) 11.126 10.815 ( 19.054 4.133 0.214) 19.498 13.616 ( -3.048 5.179 -0.336) 6.019 14.718 ( -5.402 10.135 2.366) 11.726 15.189 ( 4.932 -5.964 -5.539) 9.517 18.430 ( 1.109 1.857 -5.726) 6.121 20.644 ( -4.554 -2.532 6.771) 8.544 ======================= Grid point 173 (106/781) ======================= q-point: ( 0.55 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 2.863 -0.635 -0.974) 3.090 3.100 ( -3.202 0.039 0.653) 3.269 4.421 ( 0.212 -1.537 2.596) 3.025 6.369 ( 2.542 1.791 6.112) 6.857 6.518 ( 27.483 -0.060 -8.322) 28.715 10.343 ( -13.853 5.562 1.722) 15.027 11.262 ( 30.103 0.882 -0.590) 30.122 13.598 ( -3.418 2.873 -0.756) 4.529 14.675 ( -9.601 5.294 1.708) 11.096 15.229 ( 6.661 -3.417 -2.494) 7.891 18.461 ( 2.599 0.985 -2.998) 4.088 20.546 ( -6.610 -1.361 3.403) 7.558 ======================= Grid point 174 (107/781) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 3.937 0.000 -0.000) 3.937 3.038 ( -4.245 -0.000 0.000) 4.245 4.423 ( 0.380 0.000 -0.000) 0.380 6.330 ( -3.486 -0.000 0.000) 3.486 7.101 ( 36.637 0.000 -0.000) 36.637 10.088 ( -19.358 -0.000 0.000) 19.358 11.809 ( 33.609 0.000 -0.000) 33.609 13.553 ( -3.506 -0.000 0.000) 3.506 14.512 ( -12.624 -0.000 0.000) 12.624 15.319 ( 5.835 0.000 -0.000) 5.835 18.523 ( 4.749 0.000 -0.000) 4.749 20.418 ( -8.262 -0.000 0.000) 8.262 ======================= Grid point 192 (108/781) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -0.000 -1.381 -1.666) 2.164 3.161 ( 0.000 0.677 1.780) 1.904 4.432 ( 0.000 -3.146 7.371) 8.014 5.486 ( -0.000 5.463 -1.167) 5.586 6.531 ( -0.000 -3.419 -4.501) 5.653 10.253 ( -0.000 1.011 -2.263) 2.478 10.709 ( -0.000 14.378 4.061) 14.940 13.673 ( -0.000 4.661 1.052) 4.778 14.795 ( -0.000 10.003 1.302) 10.087 15.107 ( -0.000 -5.605 -6.334) 8.458 18.416 ( -0.000 1.765 -5.516) 5.791 20.722 ( 0.000 -2.383 6.832) 7.236 ======================= Grid point 193 (109/781) ======================= q-point: ( 0.50 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 0.877 -0.723 -0.876) 1.435 3.165 ( -0.711 0.278 0.842) 1.137 4.421 ( -0.090 -1.840 3.344) 3.818 5.644 ( 14.098 2.773 -0.380) 14.373 6.484 ( -1.490 -1.571 -2.203) 3.089 10.353 ( 10.699 0.875 -1.052) 10.786 10.798 ( -2.446 6.871 2.057) 7.577 13.694 ( -1.832 2.394 0.286) 3.028 14.876 ( -1.834 8.362 2.111) 8.817 15.050 ( 2.316 -6.261 -4.454) 8.025 18.420 ( 0.342 0.916 -2.805) 2.971 20.700 ( -2.379 -1.208 3.450) 4.362 ======================= Grid point 194 (110/781) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 1.836 0.000 -0.000) 1.836 3.145 ( -1.924 -0.000 0.000) 1.924 4.416 ( 0.006 0.000 -0.000) 0.006 5.999 ( 25.867 0.000 -0.000) 25.867 6.438 ( -2.643 -0.000 0.000) 2.643 10.513 ( 0.773 0.000 -0.000) 0.773 10.868 ( 13.133 0.000 -0.000) 13.133 13.664 ( -2.947 -0.000 0.000) 2.947 14.849 ( -7.058 -0.000 0.000) 7.058 15.088 ( 6.731 0.000 -0.000) 6.731 18.431 ( 1.117 0.000 -0.000) 1.117 20.640 ( -4.650 -0.000 0.000) 4.650 ======================= Grid point 215 (111/781) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 1112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 0.000 0.000 0.000) 0.000 3.173 ( 0.000 0.000 0.000) 0.000 4.417 ( 0.000 0.000 0.000) 0.000 5.536 ( 0.000 0.000 0.000) 0.000 6.487 ( 0.000 0.000 0.000) 0.000 10.256 ( 0.000 0.000 0.000) 0.000 10.864 ( 0.000 0.000 0.000) 0.000 13.722 ( 0.000 0.000 0.000) 0.000 14.957 ( -0.000 -0.000 -0.000) 0.000 14.971 ( 0.000 0.000 0.000) 0.000 18.417 ( -0.000 0.000 -0.000) 0.000 20.719 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 430 (112/781) ======================= q-point: ( 0.05 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 770 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.191 ( 0.000 -0.000 21.761) 21.761 0.191 ( 0.000 -0.000 21.761) 21.761 0.786 ( 0.000 -0.000 89.607) 89.607 3.865 ( -0.000 0.000 -3.508) 3.508 3.865 ( -0.000 0.000 -3.508) 3.508 10.546 ( -0.000 0.000 -8.195) 8.195 10.723 ( 0.000 -0.000 0.338) 0.338 10.723 ( -0.000 -0.000 0.338) 0.338 11.351 ( 0.000 0.000 0.120) 0.120 11.351 ( -0.000 -0.000 0.120) 0.120 21.264 ( -0.000 0.000 -2.316) 2.316 22.259 ( 0.000 -0.000 2.793) 2.793 ======================= Grid point 431 (113/781) ======================= q-point: ( 0.10 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 26.422 15.255 8.285) 31.614 0.868 ( 11.680 6.743 50.788) 52.548 1.367 ( 37.808 21.828 40.843) 59.783 3.860 ( 1.248 0.720 -5.662) 5.843 3.966 ( 10.119 5.842 -3.906) 12.320 10.202 ( -8.493 -4.904 -4.225) 10.679 10.782 ( 0.664 0.384 8.480) 8.514 10.840 ( 11.024 6.365 -1.454) 12.813 11.356 ( 4.297 2.481 -6.763) 8.388 14.241 ( 73.378 42.365 -133.612) 158.213 19.847 ( -63.149 -36.459 106.218) 128.838 21.306 ( -5.109 -2.950 14.721) 15.859 ======================= Grid point 432 (114/781) ======================= q-point: ( 0.15 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 9.477 5.472 59.538) 60.536 1.303 ( 25.359 14.641 6.371) 29.967 2.286 ( 30.794 17.779 22.347) 41.997 3.892 ( 3.491 2.015 -7.478) 8.496 4.355 ( 27.084 15.637 -4.452) 31.589 9.946 ( -12.960 -7.483 -7.320) 16.659 10.805 ( -1.045 -0.604 12.281) 12.340 11.185 ( 19.646 11.342 -2.776) 22.854 11.498 ( 10.065 5.811 -9.679) 15.125 14.945 ( 26.769 15.455 -64.836) 71.827 19.237 ( -20.973 -12.109 45.535) 51.575 21.213 ( -7.033 -4.060 14.069) 16.244 ======================= Grid point 433 (115/781) ======================= q-point: ( 0.20 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 14.977 8.647 46.406) 49.524 1.851 ( 21.465 12.393 6.170) 25.543 2.824 ( 12.732 7.351 21.524) 26.066 3.981 ( 6.715 3.877 -8.688) 11.645 5.162 ( 44.090 25.455 -3.215) 51.012 9.580 ( -17.447 -10.073 -8.619) 21.912 10.820 ( -0.593 -0.342 11.914) 11.934 11.678 ( 24.419 14.099 -3.283) 28.388 11.733 ( 12.967 7.486 -8.878) 17.407 15.260 ( 15.979 9.225 -37.242) 41.562 18.996 ( -9.981 -5.762 17.403) 20.873 21.075 ( -9.006 -5.200 15.801) 18.916 ======================= Grid point 434 (116/781) ======================= q-point: ( 0.25 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 16.748 9.670 27.312) 33.466 2.288 ( 15.592 9.002 5.873) 18.937 3.076 ( 5.346 3.087 27.070) 27.765 4.151 ( 10.747 6.205 -8.852) 15.243 6.219 ( 48.938 28.254 -1.603) 56.531 9.121 ( -20.846 -12.035 -8.990) 25.695 10.853 ( 0.694 0.401 10.114) 10.146 12.016 ( 14.044 8.108 -7.080) 17.694 12.237 ( 25.723 14.851 -3.282) 29.883 15.472 ( 11.046 6.377 -23.869) 27.063 18.864 ( -4.486 -2.590 1.643) 5.434 20.907 ( -10.236 -5.909 17.788) 21.356 ======================= Grid point 435 (117/781) ======================= q-point: ( 0.30 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 11.166 6.446 4.854) 13.776 2.583 ( 9.499 5.484 4.882) 12.006 3.302 ( 7.696 4.443 38.272) 39.290 4.407 ( 13.942 8.049 -7.756) 17.869 7.299 ( 46.795 27.017 -0.885) 54.041 8.603 ( -22.721 -13.118 -8.459) 27.566 10.909 ( 1.958 1.130 7.870) 8.188 12.314 ( 13.887 8.018 -5.208) 16.860 12.795 ( 24.456 14.119 -2.982) 28.396 15.618 ( 7.212 4.164 -16.501) 18.483 18.802 ( -0.163 -0.094 -8.163) 8.165 20.723 ( -10.964 -6.330 19.538) 23.281 ======================= Grid point 436 (118/781) ======================= q-point: ( 0.35 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 3.083 1.780 -5.008) 6.145 2.756 ( 5.089 2.938 3.601) 6.892 3.652 ( 12.539 7.239 38.367) 41.008 4.712 ( 14.553 8.402 -5.981) 17.837 8.060 ( -21.245 -12.266 -12.545) 27.553 8.297 ( 39.819 22.989 4.552) 46.203 10.983 ( 2.772 1.600 5.402) 6.279 12.601 ( 12.697 7.330 -3.405) 15.051 13.306 ( 21.556 12.446 -2.436) 25.010 15.698 ( 3.678 2.123 -12.166) 12.886 18.809 ( 3.696 2.134 -14.070) 14.703 20.530 ( -11.463 -6.618 20.736) 24.600 ======================= Grid point 437 (119/781) ======================= q-point: ( 0.40 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -0.463 -0.267 -5.070) 5.099 2.847 ( 2.525 1.458 2.592) 3.901 4.042 ( 12.629 7.291 29.291) 32.720 5.007 ( 12.662 7.310 -4.188) 15.209 7.549 ( -20.540 -11.859 -8.191) 25.092 9.140 ( 33.428 19.300 1.824) 38.643 11.060 ( 2.913 1.682 2.731) 4.333 12.857 ( 10.574 6.105 -1.627) 12.317 13.742 ( 17.702 10.220 -1.571) 20.501 15.715 ( 0.740 0.427 -9.429) 9.468 18.883 ( 6.836 3.947 -17.204) 18.928 20.330 ( -11.822 -6.825 21.256) 25.262 ======================= Grid point 438 (120/781) ======================= q-point: ( 0.45 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( -1.227 -0.709 -3.783) 4.039 2.893 ( 1.125 0.649 1.974) 2.363 4.367 ( 9.596 5.540 18.916) 21.923 5.245 ( 9.221 5.324 -2.572) 10.954 7.110 ( -16.168 -9.335 -6.369) 19.726 9.792 ( 23.777 13.727 2.124) 27.537 11.124 ( 2.328 1.344 -0.124) 2.691 13.061 ( 7.643 4.413 0.168) 8.827 14.087 ( 13.084 7.554 -0.337) 15.111 15.685 ( -0.974 -0.562 -7.401) 7.486 19.010 ( 9.011 5.202 -18.586) 21.300 20.124 ( -11.987 -6.920 21.169) 25.292 ======================= Grid point 439 (121/781) ======================= q-point: ( 0.50 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -0.630 -0.364 -2.622) 2.721 2.914 ( 0.322 0.186 1.640) 1.681 4.565 ( 4.127 2.383 8.452) 9.703 5.400 ( 5.006 2.890 -1.102) 5.885 6.808 ( -8.862 -5.116 -3.975) 10.978 10.207 ( 12.353 7.132 2.551) 14.490 11.159 ( 1.140 0.658 -3.070) 3.341 13.197 ( 4.099 2.367 1.958) 5.122 14.320 ( 7.317 4.225 1.138) 8.525 15.642 ( -0.778 -0.449 -5.504) 5.577 19.174 ( 10.327 5.962 -19.110) 22.525 19.916 ( -11.888 -6.863 20.696) 24.834 ======================= Grid point 440 (122/781) ======================= q-point: (-0.45 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 0.619 0.357 -1.666) 1.812 2.919 ( -0.249 -0.144 1.451) 1.479 4.585 ( -3.465 -2.000 -1.364) 4.227 5.461 ( 0.491 0.283 0.262) 0.624 6.710 ( 1.009 0.583 -1.432) 1.846 10.353 ( -0.183 -0.105 2.971) 2.978 11.155 ( -0.369 -0.213 -5.937) 5.952 13.254 ( 0.211 0.122 3.660) 3.668 14.411 ( 0.208 0.120 2.576) 2.587 15.633 ( 1.273 0.735 -3.468) 3.767 19.358 ( 11.035 6.371 -19.656) 23.425 19.713 ( -11.455 -6.614 20.385) 24.300 ======================= Grid point 441 (123/781) ======================= q-point: (-0.40 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 1.981 1.144 -0.783) 2.417 2.911 ( -0.865 -0.499 1.293) 1.633 4.406 ( -10.860 -6.270 -8.995) 15.433 5.424 ( -4.015 -2.318 1.530) 4.882 6.841 ( 10.506 6.066 -0.240) 12.134 10.216 ( -12.689 -7.326 3.389) 15.039 11.109 ( -1.833 -1.058 -8.523) 8.782 13.227 ( -3.695 -2.134 5.171) 6.705 14.344 ( -6.867 -3.965 3.886) 8.830 15.678 ( 3.189 1.841 -1.473) 3.966 19.488 ( -4.809 -2.776 0.170) 5.555 19.587 ( 5.499 3.175 -0.268) 6.356 ======================= Grid point 442 (124/781) ======================= q-point: (-0.35 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 2.949 1.703 0.245) 3.414 2.885 ( -1.805 -1.042 1.076) 2.346 4.061 ( -16.480 -9.515 -14.361) 23.841 5.292 ( -8.192 -4.730 2.679) 9.831 7.158 ( 17.307 9.992 -0.756) 19.998 9.812 ( -23.959 -13.833 4.047) 27.960 11.026 ( -2.904 -1.677 -10.659) 11.174 13.120 ( -7.278 -4.202 6.422) 10.576 14.135 ( -12.699 -7.332 5.090) 15.522 15.753 ( 3.256 1.880 0.182) 3.764 19.318 ( -9.431 -5.445 11.867) 16.106 19.784 ( 11.361 6.559 -12.849) 18.362 ======================= Grid point 443 (125/781) ======================= q-point: (-0.30 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 2.971 1.715 1.984) 3.963 2.831 ( -3.428 -1.979 0.752) 4.030 3.594 ( -20.585 -11.885 -18.769) 30.286 5.077 ( -11.560 -6.674 3.663) 13.841 7.588 ( 20.807 12.013 -3.116) 24.227 9.183 ( -32.760 -18.914 5.973) 38.296 10.921 ( -3.350 -1.934 -12.247) 12.843 12.942 ( -10.230 -5.907 7.399) 13.939 13.811 ( -17.537 -10.125 6.048) 21.134 15.813 ( 1.737 1.003 1.575) 2.550 19.150 ( -8.267 -4.773 9.485) 13.457 20.008 ( 11.699 6.754 -11.602) 17.807 ======================= Grid point 444 (126/781) ======================= q-point: (-0.25 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -6.235 -3.600 0.340) 7.207 2.806 ( -1.280 -0.739 9.360) 9.476 3.046 ( -20.519 -11.847 -27.425) 36.242 4.805 ( -13.392 -7.732 4.396) 16.076 7.954 ( 1.992 1.150 -13.750) 13.941 8.494 ( -19.531 -11.276 16.010) 27.657 10.810 ( -3.094 -1.787 -13.261) 13.734 12.710 ( -12.327 -7.117 8.139) 16.396 13.388 ( -21.620 -12.482 6.700) 25.848 15.834 ( -0.535 -0.309 2.913) 2.978 19.005 ( -6.456 -3.728 5.325) 9.162 20.241 ( 11.670 6.737 -9.022) 16.216 ======================= Grid point 445 (127/781) ======================= q-point: (-0.20 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( -27.069 -15.628 -11.204) 33.204 2.541 ( -10.696 -6.175 0.008) 12.351 2.878 ( 0.770 0.445 -6.394) 6.455 4.518 ( -12.942 -7.472 4.680) 15.660 7.261 ( -43.561 -25.150 -5.019) 50.550 8.736 ( 20.620 11.905 6.488) 24.678 10.710 ( -2.198 -1.269 -13.701) 13.934 12.443 ( -13.442 -7.761 8.678) 17.782 12.886 ( -24.698 -14.259 7.113) 29.393 15.806 ( -2.777 -1.604 4.120) 5.221 18.892 ( -4.337 -2.504 0.362) 5.021 20.478 ( 11.346 6.551 -5.919) 14.376 ======================= Grid point 446 (128/781) ======================= q-point: (-0.15 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -27.760 -16.027 -11.579) 34.082 2.237 ( -16.492 -9.521 0.046) 19.043 2.840 ( -3.773 -2.178 -2.386) 4.967 4.267 ( -10.306 -5.950 4.220) 12.627 6.212 ( -47.526 -27.439 -2.583) 54.939 9.223 ( 20.652 11.924 2.852) 24.017 10.636 ( -0.808 -0.467 -13.516) 13.548 12.164 ( -13.544 -7.820 8.984) 18.036 12.332 ( -26.168 -15.108 7.299) 31.085 15.738 ( -4.296 -2.480 4.349) 6.597 18.813 ( -2.317 -1.338 -3.852) 4.690 20.713 ( 10.583 6.110 -2.781) 12.532 ======================= Grid point 447 (129/781) ======================= q-point: (-0.10 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -25.790 -14.890 -2.004) 29.847 1.802 ( -22.067 -12.740 0.617) 25.488 2.653 ( -13.855 -7.999 -0.405) 16.004 4.085 ( -6.920 -3.995 2.918) 8.507 5.171 ( -42.848 -24.738 -2.383) 49.534 9.659 ( 17.358 10.021 0.741) 20.056 10.598 ( 0.873 0.504 -12.530) 12.570 11.771 ( -25.210 -14.555 7.090) 29.961 11.894 ( -12.658 -7.308 8.876) 17.100 15.644 ( -4.707 -2.718 0.533) 5.461 18.767 ( -0.700 -0.404 -3.707) 3.795 20.932 ( 9.137 5.275 0.096) 10.551 ======================= Grid point 448 (130/781) ======================= q-point: (-0.05 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -18.541 -10.704 30.198) 37.017 1.262 ( -26.044 -15.036 1.782) 30.125 2.141 ( -33.124 -19.124 2.397) 38.324 3.968 ( -4.110 -2.373 1.008) 4.851 4.366 ( -26.375 -15.228 -3.096) 30.612 9.997 ( 12.584 7.266 -1.113) 14.574 10.603 ( 2.554 1.475 -10.379) 10.790 11.265 ( -20.982 -12.114 6.202) 25.009 11.654 ( -10.782 -6.225 7.943) 14.768 15.514 ( -5.507 -3.180 -20.250) 21.225 18.779 ( 1.806 1.043 13.390) 13.552 21.117 ( 6.824 3.940 2.705) 8.331 ======================= Grid point 451 (131/781) ======================= q-point: ( 0.10 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 0.000 29.654 10.392) 31.422 1.017 ( 0.000 26.438 31.477) 41.106 1.492 ( 0.000 29.455 61.624) 68.302 3.874 ( -0.000 2.882 -4.741) 5.548 3.923 ( -0.000 10.380 -7.023) 12.533 10.185 ( -0.000 -10.253 -5.817) 11.788 10.600 ( -0.000 -6.236 -4.952) 7.964 10.937 ( 0.000 16.253 6.092) 17.357 11.507 ( 0.000 10.285 4.497) 11.225 13.837 ( -0.000 95.966 -125.464) 157.958 20.111 ( 0.000 -80.470 86.092) 117.844 21.357 ( 0.000 -8.407 20.934) 22.559 ======================= Grid point 452 (132/781) ======================= q-point: ( 0.15 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 14.529 25.989 9.900) 31.377 1.358 ( 4.418 10.090 51.128) 52.301 2.160 ( 19.589 31.338 35.879) 51.509 3.883 ( -0.190 5.279 -7.019) 8.784 4.163 ( 14.162 19.518 -7.158) 25.154 9.998 ( -6.802 -11.460 -8.916) 16.034 10.717 ( 20.607 -7.878 -5.473) 22.730 11.035 ( -9.780 16.113 10.107) 21.387 11.628 ( 0.332 20.479 -0.983) 20.506 14.517 ( 25.177 40.656 -80.226) 93.397 19.518 ( -17.938 -35.575 51.991) 65.501 21.302 ( -4.018 -6.970 17.888) 19.614 ======================= Grid point 453 (133/781) ======================= q-point: ( 0.20 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 10.615 10.145 43.181) 45.609 1.728 ( 14.433 20.245 12.957) 28.037 2.774 ( 13.402 14.628 29.754) 35.762 3.942 ( 2.416 8.066 -8.709) 12.114 4.781 ( 31.689 31.601 -5.877) 45.137 9.687 ( -12.142 -13.564 -10.368) 20.950 11.008 ( -2.810 9.831 10.762) 14.845 11.068 ( 21.522 -5.127 -6.223) 22.983 11.912 ( 4.660 28.450 -2.590) 28.945 14.975 ( 18.192 20.020 -48.583) 55.606 19.139 ( -11.322 -16.853 23.699) 31.206 21.195 ( -6.465 -7.424 18.112) 20.615 ======================= Grid point 454 (134/781) ======================= q-point: ( 0.25 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 12.158 7.989 31.862) 35.026 2.192 ( 13.440 17.152 7.987) 23.208 3.108 ( 5.998 6.055 31.787) 32.910 4.080 ( 5.729 12.019 -9.361) 16.276 5.737 ( 42.493 34.717 -3.480) 54.982 9.273 ( -16.336 -15.274 -10.574) 24.738 11.012 ( -8.580 12.745 9.159) 17.887 11.478 ( 31.885 -8.315 -6.168) 33.523 12.298 ( 7.446 30.436 -1.975) 31.396 15.274 ( 13.060 12.233 -31.099) 35.880 18.913 ( -6.165 -9.074 5.815) 12.416 21.051 ( -8.193 -7.775 19.178) 22.257 ======================= Grid point 455 (135/781) ======================= q-point: ( 0.30 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 10.942 4.715 11.351) 16.456 2.541 ( 8.424 11.832 7.127) 16.178 3.351 ( 5.660 5.428 39.268) 40.044 4.315 ( 8.795 16.199 -8.552) 20.320 6.797 ( 44.829 31.372 -2.600) 54.778 8.790 ( -19.194 -15.895 -9.414) 26.640 11.033 ( -6.189 12.423 6.379) 15.275 11.914 ( 29.120 -5.267 -4.521) 29.936 12.729 ( 10.627 27.343 -1.486) 29.373 15.481 ( 9.127 7.891 -21.161) 24.359 18.781 ( -1.938 -4.424 -5.498) 7.318 20.884 ( -9.333 -7.871 20.260) 23.654 ======================= Grid point 456 (136/781) ======================= q-point: ( 0.35 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 6.282 0.752 -0.862) 6.385 2.746 ( 3.603 6.841 4.401) 8.897 3.658 ( 9.093 7.213 41.319) 42.918 4.624 ( 9.806 18.634 -6.721) 22.103 7.793 ( 39.933 23.057 -8.807) 46.945 8.293 ( -17.822 -12.373 -1.336) 21.737 11.079 ( -4.449 12.327 3.678) 13.612 12.319 ( 23.676 -0.926 -2.619) 23.838 13.166 ( 13.385 21.115 -1.193) 25.029 15.612 ( 5.501 4.655 -15.330) 16.939 18.730 ( 2.055 -0.895 -12.354) 12.556 20.703 ( -10.158 -7.869 20.983) 24.605 ======================= Grid point 457 (137/781) ======================= q-point: ( 0.40 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 2.111 -0.948 -4.599) 5.148 2.844 ( 1.411 3.212 3.559) 4.997 4.010 ( 10.447 7.188 34.119) 36.399 4.947 ( 8.346 18.709 -4.765) 21.033 7.726 ( -18.079 -13.679 -13.805) 26.544 8.750 ( 35.542 20.101 5.699) 41.228 11.139 ( -3.538 12.126 0.953) 12.667 12.672 ( 17.493 2.903 -0.685) 17.746 13.574 ( 14.660 14.246 -0.706) 20.454 15.670 ( 2.269 2.076 -11.823) 12.217 18.758 ( 5.609 1.850 -16.000) 17.055 20.511 ( -10.818 -7.865 21.187) 25.056 ======================= Grid point 458 (138/781) ======================= q-point: ( 0.45 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -0.048 -1.003 -4.649) 4.756 2.890 ( 0.746 0.949 2.985) 3.220 4.324 ( 8.988 5.340 23.764) 25.962 5.226 ( 5.244 17.078 -3.036) 18.121 7.271 ( -16.804 -10.679 -9.775) 22.180 9.482 ( 29.259 13.725 4.140) 32.582 11.196 ( -3.502 11.681 -1.829) 12.331 12.957 ( 11.506 5.080 1.151) 12.630 13.925 ( 14.014 8.160 0.250) 16.219 15.667 ( -0.018 0.305 -9.531) 9.536 18.856 ( 8.286 3.767 -17.564) 19.782 20.310 ( -11.285 -7.846 20.906) 25.020 ======================= Grid point 459 (139/781) ======================= q-point: ( 0.50 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( -0.500 -0.357 -3.831) 3.880 2.911 ( 0.507 -0.352 2.560) 2.633 4.539 ( 5.261 2.305 12.823) 14.050 5.430 ( 1.351 14.448 -1.507) 14.589 6.918 ( -12.066 -5.838 -6.602) 14.942 10.009 ( 19.797 6.531 4.063) 21.238 11.233 ( -4.259 11.005 -4.618) 12.672 13.162 ( 5.994 5.377 2.855) 8.543 14.197 ( 11.202 2.985 1.659) 11.711 15.632 ( -0.704 -0.321 -7.713) 7.751 19.001 ( 9.972 4.940 -18.094) 21.242 20.102 ( -11.457 -7.758 20.334) 24.595 ======================= Grid point 460 (140/781) ======================= q-point: ( 0.55 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 0.136 0.546 -2.993) 3.045 2.918 ( 0.317 -1.022 2.324) 2.558 4.605 ( -0.824 -1.618 2.454) 3.053 5.542 ( -2.801 11.510 -0.106) 11.847 6.733 ( -4.362 0.080 -3.422) 5.545 10.288 ( 8.392 -0.974 4.197) 9.434 11.236 ( -5.574 10.215 -7.286) 13.730 13.278 ( 1.007 4.050 4.401) 6.065 14.358 ( 5.971 -1.693 3.212) 6.988 15.608 ( 0.642 0.341 -5.912) 5.956 19.176 ( 10.879 5.612 -18.484) 22.170 19.894 ( -11.244 -7.574 19.873) 24.057 ======================= Grid point 461 (141/781) ======================= q-point: (-0.40 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 1.324 1.422 -2.291) 3.004 2.915 ( -0.062 -1.288 2.185) 2.538 4.489 ( -8.145 -5.450 -5.482) 11.230 5.559 ( -7.170 8.943 1.111) 11.516 6.759 ( 4.970 5.320 -1.503) 7.434 10.293 ( -3.954 -8.229 4.339) 10.108 11.200 ( -7.097 9.493 -9.657) 15.288 13.299 ( -3.391 1.441 5.749) 6.828 14.377 ( -0.901 -5.593 4.553) 7.268 15.633 ( 3.014 1.498 -4.009) 5.234 19.361 ( 10.573 5.788 -19.985) 23.339 19.699 ( -9.910 -7.067 20.592) 23.920 ======================= Grid point 462 (142/781) ======================= q-point: (-0.35 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( 2.562 2.046 -1.713) 3.699 2.902 ( -0.852 -1.362 2.044) 2.599 4.205 ( -14.680 -8.175 -10.100) 19.604 5.480 ( -11.708 6.663 2.104) 13.634 6.982 ( 13.343 8.692 -1.594) 16.004 10.025 ( -15.946 -14.531 4.594) 22.058 11.127 ( -8.451 9.038 -11.570) 16.940 13.226 ( -7.012 -2.246 6.877) 10.075 14.252 ( -7.614 -7.830 5.621) 12.283 15.705 ( 4.159 1.926 -2.301) 5.129 19.425 ( -4.512 -2.125 -5.357) 7.319 19.647 ( 6.285 1.477 5.198) 8.288 ======================= Grid point 463 (143/781) ======================= q-point: (-0.30 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 3.372 2.248 -1.274) 4.248 2.868 ( -2.314 -1.479 1.831) 3.301 3.789 ( -20.044 -9.891 -12.152) 25.441 5.309 ( -15.734 4.399 2.890) 16.591 7.347 ( 19.135 10.437 -3.293) 22.044 9.514 ( -26.334 -19.305 5.502) 33.112 11.028 ( -9.340 8.997 -12.935) 18.317 13.062 ( -9.563 -6.984 7.815) 14.188 14.010 ( -13.687 -8.160 6.359) 17.157 15.783 ( 3.388 1.473 -0.981) 3.823 19.264 ( -8.304 -4.721 3.766) 10.268 19.843 ( 11.388 4.723 -4.766) 13.218 ======================= Grid point 464 (144/781) ======================= q-point: (-0.25 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 3.376 1.984 -1.736) 4.283 2.798 ( -4.886 -2.036 1.917) 5.630 3.276 ( -24.507 -10.745 -11.773) 29.235 5.060 ( -18.430 2.275 3.391) 18.877 7.771 ( 18.818 9.789 -8.289) 22.774 8.831 ( -31.389 -21.167 9.505) 39.034 10.918 ( -9.599 9.450 -13.722) 19.229 12.817 ( -10.795 -12.819 8.635) 18.853 13.677 ( -19.440 -6.554 6.644) 21.565 15.833 ( 1.365 0.552 0.023) 1.473 19.095 ( -7.445 -4.245 2.240) 8.858 20.077 ( 12.133 4.970 -4.249) 13.783 ======================= Grid point 465 (145/781) ======================= q-point: (-0.20 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -16.312 -8.818 -5.134) 19.240 2.726 ( -19.952 -4.372 -7.966) 21.923 2.854 ( 1.336 0.516 3.785) 4.047 4.766 ( -18.914 0.596 3.454) 19.236 7.703 ( -32.422 -14.913 -10.686) 37.253 8.520 ( 13.924 1.863 10.822) 17.733 10.814 ( -9.219 10.432 -13.937) 19.699 12.503 ( -10.749 -19.594 9.411) 24.249 13.276 ( -24.670 -3.040 6.478) 25.686 15.837 ( -1.106 -0.456 0.566) 1.324 18.948 ( -5.765 -3.205 -0.958) 6.665 20.321 ( 12.293 4.719 -2.007) 13.320 ======================= Grid point 466 (146/781) ======================= q-point: (-0.15 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -29.239 -11.383 -6.041) 31.953 2.459 ( -15.651 -2.546 1.079) 15.894 2.868 ( -1.220 -0.559 1.891) 2.319 4.472 ( -16.607 -0.399 2.857) 16.856 6.781 ( -47.858 -20.416 -4.012) 52.185 8.949 ( 23.501 7.020 2.791) 24.685 10.734 ( -8.314 11.979 -13.572) 19.920 12.133 ( -10.094 -26.201 10.120) 29.846 12.837 ( -28.227 1.445 5.920) 28.877 15.791 ( -3.359 -1.238 -0.282) 3.591 18.836 ( -3.709 -1.897 -3.391) 5.372 20.568 ( 12.018 4.143 0.630) 12.728 ======================= Grid point 467 (147/781) ======================= q-point: (-0.10 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -29.064 -9.129 6.566) 31.163 2.113 ( -22.327 -3.714 1.680) 22.696 2.792 ( -7.759 -2.542 2.972) 8.690 4.228 ( -12.283 -0.836 1.426) 12.394 5.750 ( -50.011 -17.083 -2.953) 52.931 9.404 ( 21.967 5.730 -0.172) 22.703 10.693 ( -7.071 14.168 -12.541) 20.198 11.719 ( -9.935 -29.709 10.521) 33.045 12.401 ( -28.304 4.087 4.968) 29.026 15.698 ( -5.118 -1.620 -5.239) 7.501 18.772 ( -1.404 -0.417 -1.614) 2.180 20.806 ( 11.151 3.197 3.179) 12.028 ======================= Grid point 468 (148/781) ======================= q-point: (-0.05 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -23.260 -4.984 32.768) 40.492 1.654 ( -28.153 -3.704 2.704) 28.524 2.530 ( -22.281 -4.505 5.660) 23.426 4.051 ( -7.825 -1.190 -0.784) 7.954 4.817 ( -42.166 -8.742 -3.328) 43.191 9.783 ( 18.060 3.204 -2.340) 18.491 10.702 ( -5.722 17.073 -10.564) 20.876 11.299 ( -9.999 -27.024 10.232) 30.577 11.999 ( -24.320 1.917 3.300) 24.618 15.542 ( -7.892 -1.722 -21.610) 23.070 18.791 ( 2.488 1.342 11.752) 12.087 21.018 ( 9.493 1.811 5.580) 11.160 ======================= Grid point 472 (149/781) ======================= q-point: ( 0.15 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -0.000 28.944 9.196) 30.370 1.567 ( 0.000 9.522 48.085) 49.019 2.436 ( 0.000 31.191 39.167) 50.070 3.924 ( -0.000 5.620 -6.109) 8.301 4.251 ( -0.000 30.507 -9.879) 32.067 9.902 ( -0.000 -14.186 -10.447) 17.618 10.452 ( -0.000 -5.113 -6.586) 8.337 11.396 ( 0.000 25.560 8.622) 26.975 11.771 ( 0.000 13.458 5.329) 14.475 14.516 ( -0.000 44.035 -71.917) 84.327 19.423 ( 0.000 -36.543 39.122) 53.534 21.312 ( 0.000 -8.877 19.544) 21.465 ======================= Grid point 473 (150/781) ======================= q-point: ( 0.20 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 9.154 23.835 13.875) 29.059 1.817 ( 4.016 9.876 38.290) 39.747 2.864 ( 6.334 17.967 37.351) 41.929 3.977 ( 1.134 8.724 -7.590) 11.619 4.709 ( 15.648 41.553 -8.642) 45.235 9.665 ( -6.409 -16.185 -11.700) 20.974 10.548 ( 18.170 -5.404 -6.793) 20.137 11.479 ( -17.034 22.165 9.817) 29.628 12.052 ( 9.080 22.426 2.876) 24.365 14.812 ( 11.129 29.588 -52.185) 61.013 19.151 ( -5.788 -24.212 21.382) 32.816 21.251 ( -3.297 -9.422 19.918) 22.280 ======================= Grid point 474 (151/781) ======================= q-point: ( 0.25 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 6.854 6.757 30.662) 32.137 2.198 ( 11.047 20.591 8.923) 25.013 3.190 ( 4.557 8.717 38.087) 39.336 4.105 ( 4.192 13.908 -8.720) 16.943 5.492 ( 28.776 43.582 -5.872) 52.554 9.314 ( -11.403 -17.496 -11.757) 23.966 10.872 ( 27.876 -5.672 -6.970) 29.288 11.424 ( -16.326 20.830 8.974) 27.946 12.451 ( 8.278 26.846 1.519) 28.134 15.114 ( 11.529 18.842 -35.613) 41.907 18.910 ( -4.823 -14.836 6.343) 16.841 21.141 ( -5.630 -9.510 20.370) 23.175 ======================= Grid point 475 (152/781) ======================= q-point: ( 0.30 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 7.779 3.999 14.170) 16.652 2.557 ( 7.790 14.249 8.339) 18.255 3.446 ( 4.105 6.761 41.624) 42.369 4.343 ( 7.218 20.154 -8.271) 22.950 6.429 ( 35.887 37.576 -4.767) 52.179 8.886 ( -14.972 -17.319 -10.079) 25.013 11.275 ( 19.308 0.743 -8.835) 21.246 11.433 ( -1.097 15.245 9.654) 18.078 12.848 ( 7.534 26.191 0.785) 27.264 15.353 ( 9.359 12.184 -24.478) 28.900 18.740 ( -2.206 -8.520 -4.431) 9.853 21.000 ( -7.257 -9.318 20.822) 23.938 ======================= Grid point 476 (153/781) ======================= q-point: ( 0.35 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 6.179 0.761 2.516) 6.715 2.778 ( 3.301 8.209 5.670) 10.509 3.723 ( 6.140 7.316 42.425) 43.487 4.675 ( 8.151 24.800 -6.568) 26.919 7.351 ( 36.584 26.168 -8.743) 45.821 8.444 ( -15.596 -12.840 -3.663) 20.531 11.367 ( -8.660 18.453 -0.892) 20.404 11.835 ( 28.790 -0.356 0.757) 28.802 13.213 ( 7.501 22.433 0.345) 23.656 15.521 ( 6.438 7.534 -17.428) 20.049 18.646 ( 1.066 -3.806 -11.329) 11.999 20.839 ( -8.464 -9.037 21.024) 24.399 ======================= Grid point 477 (154/781) ======================= q-point: ( 0.40 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 3.858 -1.154 -2.838) 4.926 2.878 ( 0.364 4.018 4.050) 5.716 4.030 ( 7.693 6.850 36.768) 38.183 5.036 ( 6.475 26.357 -4.669) 27.539 7.753 ( -3.316 -10.956 -22.621) 25.352 8.449 ( 22.328 18.502 12.672) 31.645 11.403 ( -8.508 19.489 -2.052) 21.364 12.313 ( 26.390 1.421 1.116) 26.452 13.537 ( 8.111 16.729 0.288) 18.594 15.615 ( 3.333 4.009 -13.111) 14.110 18.636 ( 4.504 -0.186 -15.076) 15.736 20.663 ( -9.455 -8.809 20.830) 24.513 ======================= Grid point 478 (155/781) ======================= q-point: ( 0.45 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 1.947 -1.445 -4.562) 5.166 2.910 ( -0.602 1.306 3.519) 3.801 4.310 ( 7.296 4.813 27.269) 28.635 5.360 ( 3.154 25.177 -2.987) 25.549 7.393 ( -13.716 -11.184 -14.560) 22.918 9.131 ( 29.456 14.829 7.402) 33.798 11.444 ( -8.194 19.525 -4.177) 21.582 12.743 ( 20.337 4.246 2.443) 20.919 13.814 ( 9.178 9.987 0.827) 13.589 15.639 ( 0.733 1.477 -10.490) 10.619 18.702 ( 7.455 2.380 -16.604) 18.356 20.472 ( -10.254 -8.656 20.253) 24.295 ======================= Grid point 479 (156/781) ======================= q-point: ( 0.50 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( 0.810 -0.677 -4.703) 4.820 2.913 ( -0.448 -0.550 3.325) 3.400 4.514 ( 5.048 1.814 16.471) 17.323 5.605 ( -0.729 21.851 -1.471) 21.913 7.053 ( -12.467 -4.693 -9.943) 16.623 9.711 ( 24.034 6.522 6.069) 25.632 11.477 ( -8.582 19.195 -6.455) 21.995 13.084 ( 12.490 6.571 3.778) 14.610 14.043 ( 9.952 3.051 2.089) 10.617 15.617 ( -0.600 0.130 -8.762) 8.783 18.829 ( 9.493 3.982 -16.939) 19.822 20.269 ( -10.757 -8.518 19.449) 23.802 ======================= Grid point 480 (157/781) ======================= q-point: ( 0.55 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 0.529 0.503 -4.293) 4.355 2.908 ( 0.069 -1.700 3.252) 3.670 4.600 ( 0.877 -1.627 5.963) 6.243 5.751 ( -4.212 17.420 0.011) 17.922 6.842 ( -8.499 3.011 -6.078) 10.874 10.086 ( 15.272 -1.675 5.586) 16.348 11.486 ( -9.639 18.690 -8.646) 22.737 13.306 ( 4.466 7.053 4.875) 9.667 14.213 ( 8.865 -3.091 3.857) 10.150 15.585 ( -0.076 0.135 -7.340) 7.342 18.994 ( 10.640 4.908 -16.995) 20.643 20.060 ( -10.849 -8.346 18.730) 23.198 ======================= Grid point 481 (158/781) ======================= q-point: (-0.40 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 0.994 1.603 -3.807) 4.248 2.902 ( 0.428 -2.168 3.245) 3.926 4.539 ( -5.045 -4.769 -2.255) 7.299 5.809 ( -7.186 14.242 1.282) 16.003 6.792 ( -2.594 8.689 -3.470) 9.709 10.216 ( 4.473 -9.182 5.285) 11.500 11.463 ( -11.094 18.176 -10.568) 23.772 13.398 ( -2.331 4.805 5.810) 7.892 14.293 ( 4.834 -7.340 5.477) 10.356 15.587 ( 2.101 1.049 -5.840) 6.294 19.178 ( 11.000 5.482 -17.723) 21.567 19.854 ( -10.325 -8.129 18.781) 22.922 ======================= Grid point 482 (159/781) ======================= q-point: (-0.35 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 1.916 2.337 -3.477) 4.607 2.898 ( 0.261 -2.105 3.254) 3.884 4.329 ( -11.449 -6.836 -6.701) 14.924 5.792 ( -11.423 12.981 1.986) 17.405 6.900 ( 5.272 10.658 -2.738) 12.202 10.089 ( -7.118 -15.333 5.066) 17.648 11.405 ( -12.562 17.841 -12.067) 24.935 13.356 ( -7.415 -0.170 6.771) 10.043 14.263 ( -1.059 -8.737 6.387) 10.875 15.641 ( 4.193 1.741 -4.248) 6.217 19.349 ( 8.355 5.166 -20.457) 22.693 19.681 ( -6.761 -7.145 20.880) 23.081 ======================= Grid point 483 (160/781) ======================= q-point: (-0.30 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 2.864 2.595 -3.608) 5.287 2.886 ( -0.671 -1.792 3.306) 3.820 3.992 ( -17.321 -7.813 -7.675) 20.493 5.681 ( -16.799 11.705 2.349) 20.609 7.155 ( 13.404 10.717 -3.644) 17.544 9.718 ( -18.178 -19.560 5.193) 27.202 11.320 ( -13.703 17.849 -13.075) 26.025 13.187 ( -10.827 -7.141 7.847) 15.159 14.132 ( -7.221 -7.403 6.525) 12.228 15.725 ( 4.571 1.669 -2.889) 5.659 19.346 ( -5.179 -1.598 -9.095) 10.587 19.705 ( 7.833 0.239 8.909) 11.865 ======================= Grid point 484 (161/781) ======================= q-point: (-0.25 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 3.220 2.376 -5.546) 6.839 2.854 ( -2.550 -1.553 4.031) 5.016 3.559 ( -22.337 -7.920 -5.256) 24.275 5.469 ( -21.255 9.445 2.464) 23.390 7.521 ( 18.709 10.271 -6.184) 22.221 9.145 ( -27.193 -21.573 6.549) 35.324 11.219 ( -14.278 18.303 -13.585) 26.896 12.905 ( -12.743 -14.771 8.981) 21.476 13.920 ( -13.146 -4.585 6.015) 15.166 15.799 ( 3.235 1.095 -1.950) 3.933 19.185 ( -7.680 -3.382 -3.328) 9.027 19.910 ( 11.640 2.661 2.548) 12.209 ======================= Grid point 485 (162/781) ======================= q-point: (-0.20 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -5.146 -1.330 -9.551) 10.931 2.821 ( -0.459 0.973 0.747) 1.309 3.081 ( -23.883 -6.600 5.637) 25.412 5.173 ( -23.545 6.458 2.161) 24.511 7.862 ( 6.460 6.313 -14.014) 16.673 8.506 ( -19.937 -18.036 13.179) 29.941 11.121 ( -14.160 19.260 -13.599) 27.503 12.533 ( -13.431 -21.543 10.029) 27.296 13.638 ( -18.573 -1.675 5.061) 19.323 15.837 ( 0.884 0.362 -1.616) 1.877 19.019 ( -6.904 -2.788 -3.950) 8.429 20.149 ( 12.510 2.784 2.803) 13.119 ======================= Grid point 486 (163/781) ======================= q-point: (-0.15 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -24.774 -5.397 -7.112) 26.333 2.693 ( -12.945 0.117 0.316) 12.949 2.892 ( -1.284 -0.970 10.823) 10.942 4.829 ( -22.866 3.285 1.226) 23.133 7.378 ( -42.347 -11.362 -6.169) 44.276 8.603 ( 22.882 1.383 4.037) 23.276 11.044 ( -13.353 20.773 -13.103) 27.955 12.104 ( -13.167 -26.199 10.857) 31.267 13.293 ( -23.038 0.243 3.844) 23.358 15.823 ( -1.828 -0.265 -2.620) 3.205 18.882 ( -5.119 -1.484 -4.981) 7.295 20.397 ( 12.694 2.258 4.558) 13.675 ======================= Grid point 487 (164/781) ======================= q-point: (-0.10 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -28.975 -2.940 7.284) 30.020 2.444 ( -17.741 -0.494 2.171) 17.880 2.881 ( -3.136 -0.746 7.783) 8.425 4.492 ( -18.981 0.502 -0.535) 18.995 6.474 ( -50.304 -7.623 -2.867) 50.959 9.040 ( 24.932 1.826 -0.883) 25.015 11.005 ( -11.949 22.845 -11.978) 28.428 11.657 ( -12.107 -27.606 11.280) 32.186 12.891 ( -25.984 0.293 2.340) 26.091 15.753 ( -4.571 -0.549 -6.745) 8.166 18.797 ( -2.511 0.127 -3.217) 4.083 20.643 ( 12.320 1.303 6.617) 14.045 ======================= Grid point 488 (165/781) ======================= q-point: (-0.05 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -26.239 1.206 27.143) 37.772 2.092 ( -24.081 -0.339 3.067) 24.278 2.798 ( -9.748 0.010 9.147) 13.367 4.210 ( -13.284 -1.270 -3.072) 13.694 5.569 ( -50.943 1.117 -2.393) 51.011 9.444 ( 22.470 -0.398 -3.507) 22.746 11.017 ( -10.154 23.574 -8.792) 27.132 11.247 ( -10.018 -22.597 9.903) 26.628 12.438 ( -26.995 -2.328 0.217) 27.096 15.612 ( -7.937 -0.102 -17.189) 18.934 18.794 ( 1.508 1.451 5.019) 5.438 20.871 ( 11.264 -0.068 8.687) 14.225 ======================= Grid point 493 (166/781) ======================= q-point: ( 0.20 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 0.000 24.915 9.732) 26.748 1.973 ( 0.000 6.732 35.371) 36.006 3.092 ( 0.000 13.863 41.105) 43.380 4.027 ( -0.000 9.217 -7.503) 11.885 5.010 ( -0.000 50.858 -8.953) 51.640 9.519 ( -0.000 -17.762 -12.407) 21.667 10.332 ( -0.000 -3.181 -6.834) 7.538 11.995 ( -0.000 29.767 9.204) 31.158 12.082 ( 0.000 15.157 4.961) 15.948 14.870 ( -0.000 29.168 -46.265) 54.692 19.013 ( 0.000 -22.313 12.973) 25.811 21.240 ( 0.000 -10.485 20.771) 23.268 ======================= Grid point 494 (167/781) ======================= q-point: ( 0.25 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 2.417 5.332 25.088) 25.762 2.268 ( 7.189 20.518 9.780) 23.839 3.345 ( 1.811 9.272 43.196) 44.217 4.139 ( 3.993 12.881 -8.161) 15.763 5.598 ( 12.058 51.689 -7.582) 53.616 9.253 ( -6.188 -18.226 -12.131) 22.752 10.429 ( 16.389 -2.833 -6.672) 17.920 11.969 ( -18.885 22.334 7.301) 30.146 12.533 ( 12.597 24.556 5.065) 28.060 15.061 ( 6.009 22.338 -35.708) 42.546 18.826 ( -1.978 -16.318 3.098) 16.727 21.174 ( -2.763 -10.679 21.082) 23.793 ======================= Grid point 495 (168/781) ======================= q-point: ( 0.30 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 4.218 2.907 13.439) 14.382 2.596 ( 7.141 14.442 9.011) 18.460 3.588 ( 2.333 7.579 44.202) 44.908 4.379 ( 8.847 19.000 -7.615) 22.299 6.330 ( 20.737 44.083 -7.377) 49.272 8.905 ( -10.518 -16.560 -9.866) 21.959 10.753 ( 26.474 -2.600 -6.499) 27.384 11.904 ( -17.171 23.364 6.333) 29.678 12.963 ( 8.800 24.171 3.279) 25.931 15.271 ( 7.345 15.292 -25.877) 30.942 18.663 ( -1.395 -10.333 -5.310) 11.701 21.068 ( -4.865 -10.376 21.113) 24.023 ======================= Grid point 496 (169/781) ======================= q-point: ( 0.35 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 4.500 0.414 4.217) 6.181 2.821 ( 3.520 8.372 6.737) 11.308 3.837 ( 3.679 7.231 42.779) 43.541 4.747 ( 11.047 24.886 -5.798) 27.838 7.060 ( 25.163 28.487 -11.440) 39.693 8.555 ( -11.908 -9.201 -3.210) 15.387 11.197 ( 29.436 -1.145 -7.191) 30.323 11.893 ( -12.975 23.847 6.103) 27.826 13.319 ( 6.213 21.346 1.858) 22.309 15.444 ( 6.328 9.663 -18.497) 21.807 18.555 ( 0.583 -5.286 -11.182) 12.383 20.934 ( -6.485 -9.900 20.848) 23.973 ======================= Grid point 497 (170/781) ======================= q-point: ( 0.40 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 3.880 -1.283 -1.060) 4.222 2.926 ( 0.261 4.131 4.582) 6.174 4.096 ( 5.004 6.186 37.564) 38.397 5.169 ( 9.196 28.082 -3.903) 29.806 7.511 ( 12.931 -2.048 -23.001) 26.466 8.455 ( 2.080 13.811 11.065) 17.819 11.606 ( 14.726 7.802 -10.165) 19.521 12.016 ( 4.267 17.106 8.232) 19.457 13.600 ( 4.678 16.896 1.062) 17.564 15.559 ( 4.108 5.380 -13.511) 15.112 18.518 ( 3.368 -1.291 -14.487) 14.929 20.779 ( -7.834 -9.473 20.226) 23.668 ======================= Grid point 498 (171/781) ======================= q-point: ( 0.45 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 3.079 -1.793 -3.510) 5.001 2.952 ( -1.446 1.456 3.551) 4.101 4.331 ( 5.137 3.903 29.062) 29.770 5.554 ( 4.750 27.679 -2.278) 28.176 7.396 ( -4.375 -10.855 -20.103) 23.262 8.886 ( 19.728 17.865 11.201) 28.876 11.768 ( -5.162 20.027 -9.200) 22.635 12.412 ( 22.466 7.155 6.494) 24.456 13.813 ( 4.049 11.364 1.096) 12.113 15.609 ( 1.573 2.294 -10.413) 10.778 18.557 ( 6.286 1.582 -15.735) 17.018 20.605 ( -8.983 -9.172 19.274) 23.158 ======================= Grid point 499 (172/781) ======================= q-point: ( 0.50 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 2.406 -1.236 -4.488) 5.240 2.937 ( -1.825 -0.431 3.348) 3.838 4.503 ( 3.918 0.909 18.885) 19.308 5.836 ( -0.280 22.920 -0.853) 22.938 7.167 ( -7.945 -1.685 -14.188) 16.348 9.404 ( 21.753 8.217 8.765) 24.851 11.823 ( -9.328 22.878 -9.355) 26.418 12.872 ( 21.001 6.539 5.830) 22.755 13.966 ( 4.232 4.864 2.085) 6.776 15.603 ( -0.281 0.452 -8.588) 8.604 18.663 ( 8.654 3.391 -15.737) 18.277 20.412 ( -9.853 -8.956 18.130) 22.494 ======================= Grid point 500 (173/781) ======================= q-point: ( 0.55 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 1.920 0.025 -4.824) 5.192 2.909 ( -1.251 -1.851 3.591) 4.229 4.583 ( 1.376 -2.084 8.719) 9.069 5.984 ( -3.669 15.051 0.517) 15.500 7.037 ( -8.668 10.806 -9.347) 16.711 9.799 ( 17.967 -1.652 7.407) 19.504 11.848 ( -11.174 23.568 -10.403) 28.081 13.254 ( 13.311 7.815 5.760) 16.475 14.065 ( 5.285 -2.565 4.030) 7.125 15.570 ( -0.609 -0.062 -7.432) 7.457 18.816 ( 10.166 4.423 -15.331) 18.920 20.207 ( -10.308 -8.754 17.042) 21.756 ======================= Grid point 501 (174/781) ======================= q-point: ( 0.60 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 1.649 1.471 -4.921) 5.395 2.885 ( -0.179 -2.746 4.000) 4.855 4.556 ( -2.587 -4.391 0.576) 5.129 6.034 ( -4.270 9.732 1.817) 10.782 7.015 ( -9.161 19.049 -6.054) 21.987 10.006 ( 10.754 -10.101 6.469) 16.110 11.843 ( -12.907 23.668 -11.503) 29.310 13.483 ( 2.445 7.593 5.451) 9.662 14.124 ( 6.721 -9.013 6.436) 12.955 15.551 ( 0.870 0.504 -6.413) 6.491 18.996 ( 10.875 5.067 -15.304) 19.447 19.998 ( -10.218 -8.544 16.471) 21.183 ======================= Grid point 502 (175/781) ======================= q-point: (-0.35 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 1.713 2.540 -4.975) 5.842 2.874 ( 0.729 -2.965 4.349) 5.314 4.415 ( -7.743 -5.612 -3.912) 10.332 6.055 ( -4.834 8.961 2.447) 10.471 7.051 ( -7.406 20.249 -4.526) 22.031 9.998 ( 1.344 -16.355 5.703) 17.373 11.806 ( -14.629 23.610 -12.354) 30.398 13.505 ( -6.959 1.691 5.814) 9.224 14.156 ( 5.338 -9.938 7.560) 13.580 15.578 ( 3.261 1.322 -5.167) 6.252 19.184 ( 10.487 5.603 -16.909) 20.671 19.800 ( -9.072 -8.349 17.577) 21.470 ======================= Grid point 503 (176/781) ======================= q-point: (-0.30 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 2.146 2.923 -5.264) 6.392 2.874 ( 0.829 -2.590 4.564) 5.313 4.167 ( -13.357 -5.844 -4.600) 15.288 6.041 ( -9.638 10.262 2.385) 14.279 7.147 ( -0.344 16.798 -4.460) 17.383 9.771 ( -8.998 -19.798 5.170) 22.353 11.740 ( -16.056 23.619 -12.854) 31.318 13.331 ( -11.993 -7.688 7.279) 15.998 14.143 ( 0.063 -6.790 6.740) 9.567 15.650 ( 4.803 1.621 -3.812) 6.342 19.324 ( 4.382 4.653 -20.692) 21.656 19.668 ( -2.136 -6.701 20.912) 22.063 ======================= Grid point 504 (177/781) ======================= q-point: (-0.25 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 2.537 2.712 -6.629) 7.599 2.873 ( -0.130 -1.986 5.005) 5.386 3.832 ( -18.637 -5.323 -1.869) 19.473 5.920 ( -17.733 10.339 2.003) 20.625 7.355 ( 9.920 12.453 -5.541) 16.858 9.352 ( -19.066 -20.222 5.211) 28.278 11.654 ( -16.915 23.839 -13.007) 31.994 13.012 ( -14.525 -16.044 8.881) 23.393 14.059 ( -6.160 -3.703 5.152) 8.843 15.737 ( 4.579 1.368 -2.759) 5.518 19.262 ( -6.120 -0.400 -12.255) 13.704 19.759 ( 9.362 -0.947 12.120) 15.344 ======================= Grid point 505 (178/781) ======================= q-point: (-0.20 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 1.025 2.008 -11.039) 11.267 2.859 ( -1.476 -1.290 6.443) 6.734 3.439 ( -22.442 -4.140 5.227) 23.411 5.658 ( -23.893 7.519 1.266) 25.080 7.676 ( 16.569 10.017 -8.356) 21.088 8.786 ( -26.996 -18.226 6.943) 33.304 11.563 ( -17.016 24.384 -12.826) 32.383 12.596 ( -15.672 -22.120 10.150) 28.947 13.892 ( -12.051 -1.741 3.458) 12.657 15.805 ( 2.846 0.872 -2.357) 3.797 19.103 ( -7.474 -1.192 -8.769) 11.583 19.974 ( 12.031 0.593 8.540) 14.766 ======================= Grid point 506 (179/781) ======================= q-point: (-0.15 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( -8.997 0.686 -13.106) 15.912 2.839 ( -2.927 0.290 1.219) 3.184 3.073 ( -18.528 -2.708 19.569) 27.084 5.284 ( -26.182 3.065 0.018) 26.360 7.884 ( -17.092 6.217 -14.425) 23.214 8.300 ( 2.646 -11.217 11.921) 16.581 11.486 ( -16.271 25.349 -12.267) 32.524 12.128 ( -15.620 -25.554 10.991) 31.903 13.638 ( -17.434 -1.027 1.825) 17.559 15.830 ( 0.188 0.408 -3.138) 3.170 18.951 ( -6.395 -0.268 -8.394) 10.556 20.215 ( 12.753 0.446 8.910) 15.564 ======================= Grid point 507 (180/781) ======================= q-point: (-0.10 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -22.538 2.313 -0.922) 22.675 2.702 ( -12.662 -0.044 1.633) 12.767 2.951 ( -3.545 -1.284 18.201) 18.588 4.859 ( -24.510 -0.914 -1.891) 24.600 7.253 ( -45.590 2.250 -2.992) 45.744 8.609 ( 25.500 -1.757 -0.849) 25.574 11.443 ( -14.792 26.495 -10.843) 32.223 11.654 ( -14.217 -25.517 10.963) 31.200 13.294 ( -22.230 -1.712 0.238) 22.297 15.797 ( -2.949 0.250 -6.148) 6.824 18.842 ( -4.035 1.078 -7.019) 8.167 20.460 ( 12.782 -0.351 10.320) 16.431 ======================= Grid point 508 (181/781) ======================= q-point: (-0.05 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -25.095 5.848 17.066) 30.906 2.453 ( -17.680 -0.150 3.280) 17.982 2.938 ( -3.804 -0.060 15.034) 15.508 4.457 ( -19.392 -2.445 -4.442) 20.044 6.486 ( -50.752 10.121 -1.416) 51.771 9.011 ( 25.144 -3.314 -4.284) 25.721 11.223 ( -12.040 -21.579 12.306) 27.606 11.460 ( -11.869 28.223 -10.724) 32.441 12.856 ( -26.299 -3.958 -1.478) 26.636 15.696 ( -6.482 0.849 -12.758) 14.336 18.804 ( -0.407 1.898 -2.265) 2.983 20.694 ( 12.193 -1.594 11.963) 17.156 ======================= Grid point 514 (182/781) ======================= q-point: ( 0.25 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.000 3.337 17.771) 18.081 2.427 ( 0.000 18.386 10.098) 20.976 3.549 ( 0.000 8.436 46.033) 46.799 4.202 ( -0.000 13.701 -8.352) 16.046 5.995 ( -0.000 52.444 -8.400) 53.113 9.098 ( -0.000 -17.058 -11.209) 20.411 10.250 ( -0.000 -1.300 -6.380) 6.511 12.412 ( -0.000 15.918 4.170) 16.455 12.631 ( -0.000 29.935 7.973) 30.978 15.126 ( -0.000 20.415 -31.415) 37.466 18.694 ( 0.000 -13.629 -2.224) 13.809 21.152 ( 0.000 -11.067 21.274) 23.980 ======================= Grid point 515 (183/781) ======================= q-point: ( 0.30 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 1.511 1.466 10.346) 10.558 2.658 ( 4.486 13.568 9.453) 17.134 3.769 ( 0.710 7.530 45.857) 46.477 4.386 ( 7.384 17.151 -7.637) 20.175 6.513 ( 7.325 44.317 -10.231) 46.068 8.872 ( -5.681 -12.366 -7.984) 15.778 10.358 ( 15.461 -0.797 -5.934) 16.580 12.420 ( -14.893 20.385 4.589) 25.660 13.052 ( 9.477 25.113 5.310) 27.362 15.253 ( 3.736 15.285 -25.036) 29.570 18.563 ( -0.478 -9.158 -7.580) 11.898 21.087 ( -2.373 -10.829 21.034) 23.776 ======================= Grid point 516 (184/781) ======================= q-point: ( 0.35 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 2.485 -0.317 4.193) 4.884 2.861 ( 3.526 8.113 7.488) 11.590 3.986 ( 1.570 6.650 42.505) 43.051 4.740 ( 14.024 21.493 -5.242) 26.194 6.988 ( 11.184 25.704 -15.367) 31.967 8.666 ( -8.036 -0.298 -0.794) 8.081 10.691 ( 25.790 -0.350 -5.460) 26.364 12.389 ( -14.941 23.084 3.742) 27.751 13.425 ( 6.421 21.288 3.175) 22.460 15.389 ( 5.122 9.827 -18.764) 21.793 18.464 ( 0.285 -4.667 -11.649) 12.552 20.987 ( -4.343 -10.284 20.397) 23.252 ======================= Grid point 517 (185/781) ======================= q-point: ( 0.40 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 2.913 -1.612 0.075) 3.330 2.973 ( 0.654 4.087 5.110) 6.576 4.196 ( 2.637 5.079 36.978) 37.418 5.212 ( 15.467 24.804 -2.872) 29.372 7.236 ( 9.307 -0.368 -22.231) 24.103 8.658 ( -3.617 18.287 8.533) 20.502 11.157 ( 30.231 0.765 -5.524) 30.741 12.395 ( -12.699 24.459 3.071) 27.730 13.701 ( 3.491 17.050 1.675) 17.484 15.499 ( 4.645 5.325 -13.649) 15.370 18.418 ( 2.076 -0.940 -13.981) 14.165 20.861 ( -6.038 -9.716 19.372) 22.497 ======================= Grid point 518 (186/781) ======================= q-point: ( 0.45 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 3.064 -2.123 -2.256) 4.357 3.003 ( -1.535 1.574 3.527) 4.156 4.380 ( 2.998 2.539 29.190) 29.453 5.684 ( 10.933 25.474 -0.888) 27.735 7.214 ( 4.882 -10.348 -22.340) 25.099 8.914 ( 4.660 22.544 11.482) 25.725 11.654 ( 26.817 4.077 -7.503) 28.144 12.467 ( -6.827 23.148 4.279) 24.510 13.888 ( 1.416 12.317 1.121) 12.448 15.564 ( 2.891 2.052 -10.027) 10.635 18.436 ( 4.556 1.747 -14.715) 15.503 20.709 ( -7.537 -9.270 18.014) 21.616 ======================= Grid point 519 (187/781) ======================= q-point: ( 0.50 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 3.160 -1.799 -3.454) 5.015 2.982 ( -2.629 -0.133 2.902) 3.918 4.509 ( 2.434 -0.416 19.815) 19.968 6.027 ( 2.700 19.579 0.500) 19.771 7.157 ( 3.505 -0.520 -17.961) 18.307 9.256 ( 10.071 13.378 10.691) 19.867 12.033 ( 9.939 13.565 -11.786) 20.536 12.679 ( 8.547 15.234 7.849) 19.151 13.998 ( -0.018 7.028 1.640) 7.216 15.579 ( 0.850 0.051 -7.792) 7.839 18.518 ( 7.095 3.402 -14.330) 16.348 20.532 ( -8.788 -8.946 16.461) 20.693 ======================= Grid point 520 (188/781) ======================= q-point: ( 0.55 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 3.231 -0.766 -4.106) 5.281 2.936 ( -2.714 -1.448 2.993) 4.292 4.566 ( 1.059 -2.939 10.378) 10.838 6.156 ( -2.832 8.745 0.963) 9.243 7.234 ( 0.237 17.167 -12.398) 21.177 9.548 ( 12.261 1.022 9.383) 15.474 12.199 ( -4.876 21.933 -12.983) 25.950 13.060 ( 18.131 8.229 8.250) 21.553 14.034 ( -1.068 0.778 3.175) 3.439 15.556 ( -0.345 -0.661 -6.538) 6.581 18.653 ( 9.101 4.284 -13.451) 16.796 20.337 ( -9.648 -8.668 14.924) 19.772 ======================= Grid point 521 (189/781) ======================= q-point: ( 0.60 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 3.135 0.725 -4.643) 5.649 2.887 ( -1.879 -2.497 3.581) 4.753 4.549 ( -1.159 -4.363 2.766) 5.295 6.159 ( -3.048 3.464 1.710) 4.921 7.377 ( -6.665 27.554 -8.326) 29.546 9.730 ( 11.316 -10.137 8.032) 17.185 12.255 ( -10.611 24.825 -12.836) 29.894 13.440 ( 14.211 7.115 6.632) 17.221 13.997 ( -0.859 -7.122 5.807) 9.230 15.528 ( 0.050 -0.274 -5.727) 5.734 18.823 ( 10.331 4.781 -12.708) 17.061 20.129 ( -9.981 -8.378 13.726) 18.927 ======================= Grid point 522 (190/781) ======================= q-point: (-0.35 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 2.691 2.269 -5.320) 6.379 2.851 ( -0.349 -3.236 4.448) 5.512 4.459 ( -4.499 -4.613 -1.602) 6.640 6.156 ( -1.161 2.666 2.250) 3.677 7.472 ( -12.886 29.589 -6.078) 32.841 9.772 ( 7.157 -17.727 6.698) 20.256 12.257 ( -13.771 25.805 -12.644) 31.866 13.642 ( -2.681 4.914 3.908) 6.827 13.950 ( 7.435 -12.791 9.251) 17.449 15.530 ( 1.915 0.634 -4.827) 5.231 19.014 ( 10.715 5.247 -12.910) 17.578 19.922 ( -9.608 -8.120 13.538) 18.481 ======================= Grid point 523 (191/781) ======================= q-point: (-0.30 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 2.048 3.229 -6.102) 7.201 2.840 ( 1.196 -3.399 5.178) 6.309 4.298 ( -8.995 -4.042 -2.383) 10.145 6.184 ( -0.235 3.405 2.095) 4.005 7.486 ( -14.907 25.592 -5.111) 30.055 9.665 ( 0.122 -20.368 5.491) 21.095 12.221 ( -16.051 26.103 -12.398) 33.056 13.477 ( -12.661 -9.286 6.260) 16.903 14.038 ( 7.443 -5.593 6.873) 11.573 15.578 ( 4.032 1.297 -3.621) 5.572 19.200 ( 9.250 5.932 -16.003) 19.413 19.738 ( -7.416 -8.042 16.298) 19.629 ======================= Grid point 524 (192/781) ======================= q-point: (-0.25 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 1.739 3.166 -6.977) 7.856 2.851 ( 1.671 -2.820 5.401) 6.318 4.065 ( -14.025 -2.950 0.098) 14.332 6.196 ( -4.873 4.442 1.582) 6.781 7.469 ( -8.758 17.337 -5.143) 20.093 9.418 ( -8.966 -17.905 4.578) 20.541 12.155 ( -17.538 26.109 -12.093) 33.697 13.127 ( -15.336 -17.621 8.483) 24.853 14.085 ( 0.801 -2.909 4.030) 5.035 15.661 ( 4.985 1.366 -2.480) 5.733 19.293 ( -0.058 4.743 -20.631) 21.169 19.666 ( 2.674 -6.058 20.693) 21.726 ======================= Grid point 525 (193/781) ======================= q-point: (-0.20 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 1.414 2.615 -8.845) 9.331 2.866 ( 0.819 -2.050 5.618) 6.036 3.775 ( -18.548 -1.479 5.759) 19.478 6.068 ( -16.103 3.472 0.704) 16.488 7.545 ( 5.406 8.837 -5.724) 11.835 9.049 ( -19.003 -11.592 4.131) 22.640 12.073 ( -18.065 26.037 -11.742) 33.795 12.683 ( -16.842 -22.666 9.939) 29.936 14.030 ( -5.559 -1.835 1.752) 6.111 15.747 ( 4.310 1.039 -1.955) 4.846 19.193 ( -7.032 1.639 -14.970) 16.621 19.809 ( 10.632 -2.150 15.027) 18.533 ======================= Grid point 526 (194/781) ======================= q-point: (-0.15 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( -1.033 2.410 -11.802) 12.089 2.869 ( -0.414 -1.440 5.431) 5.634 3.460 ( -21.028 0.042 15.213) 25.955 5.732 ( -24.504 -0.756 -0.686) 24.525 7.785 ( 16.903 4.278 -7.131) 18.838 8.584 ( -28.518 -3.901 4.657) 29.158 11.991 ( -17.430 25.777 -11.420) 33.146 12.192 ( -17.228 -24.654 11.008) 32.028 13.872 ( -11.579 -1.554 -0.036) 11.683 15.806 ( 2.292 0.648 -2.519) 3.467 19.043 ( -7.367 1.603 -12.738) 14.802 20.031 ( 12.382 -1.376 13.367) 18.273 ======================= Grid point 527 (195/781) ======================= q-point: (-0.10 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( -7.679 3.656 -10.706) 13.673 2.843 ( -3.589 -0.677 1.161) 3.832 3.189 ( -17.520 0.511 27.564) 32.664 5.262 ( -26.480 -4.515 -2.451) 26.974 8.003 ( -30.481 14.392 -10.600) 35.335 8.171 ( 15.865 -8.652 6.965) 19.367 11.698 ( -15.797 -24.273 10.527) 30.814 11.935 ( -16.082 26.532 -9.762) 32.525 13.608 ( -17.471 -2.018 -1.423) 17.645 15.816 ( -0.627 0.500 -4.754) 4.821 18.914 ( -5.738 2.426 -11.501) 13.079 20.269 ( 12.797 -1.812 13.958) 19.023 ======================= Grid point 528 (196/781) ======================= q-point: (-0.05 0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -15.426 7.146 -0.369) 17.005 2.709 ( -11.829 -0.209 1.974) 11.994 3.072 ( -7.419 0.123 28.890) 29.828 4.777 ( -23.606 -4.537 -4.641) 24.482 7.430 ( -45.643 16.133 -0.474) 48.413 8.522 ( 25.761 -5.559 -4.868) 26.800 11.264 ( -13.049 -20.087 10.932) 26.330 11.921 ( -13.337 27.418 -9.077) 31.812 13.235 ( -23.288 -3.095 -2.539) 23.629 15.764 ( -4.048 0.995 -9.239) 10.136 18.837 ( -2.827 2.796 -8.815) 9.670 20.503 ( 12.553 -2.812 15.137) 19.864 ======================= Grid point 535 (197/781) ======================= q-point: ( 0.30 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 0.000 -0.043 6.567) 6.567 2.770 ( 0.000 11.185 9.146) 14.448 3.969 ( 0.000 6.707 45.682) 46.171 4.460 ( -0.000 17.437 -7.888) 19.138 6.814 ( -0.000 34.069 -14.160) 36.894 8.825 ( -0.000 -2.519 -3.558) 4.359 10.205 ( -0.000 0.206 -5.387) 5.391 12.743 ( -0.000 15.762 3.209) 16.085 13.235 ( -0.000 27.700 5.679) 28.277 15.288 ( -0.000 12.169 -22.254) 25.364 18.465 ( -0.000 -6.036 -10.183) 11.837 21.062 ( 0.000 -10.683 20.533) 23.146 ======================= Grid point 536 (198/781) ======================= q-point: ( 0.35 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 0.955 -1.289 3.116) 3.504 2.910 ( 2.177 7.432 7.695) 10.917 4.156 ( 0.012 5.354 41.655) 41.998 4.703 ( 10.384 18.987 -5.770) 22.397 7.033 ( 2.507 14.541 -19.148) 24.174 8.834 ( -4.188 13.399 2.914) 14.338 10.326 ( 15.062 0.684 -4.674) 15.785 12.815 ( -9.488 18.058 2.697) 20.576 13.555 ( 4.406 23.580 3.830) 24.292 15.352 ( 2.926 7.777 -18.284) 20.083 18.391 ( 0.082 -2.479 -12.202) 12.452 21.001 ( -2.156 -10.149 19.588) 22.166 ======================= Grid point 537 (199/781) ======================= q-point: ( 0.40 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 1.721 -2.147 0.485) 2.794 3.014 ( 0.986 4.010 5.473) 6.856 4.317 ( 0.647 3.398 35.336) 35.505 5.130 ( 18.120 20.415 -2.701) 27.430 7.062 ( 2.306 -3.370 -21.847) 22.225 8.970 ( -4.724 25.978 7.692) 27.502 10.672 ( 25.553 1.200 -3.933) 25.882 12.832 ( -11.066 20.599 1.590) 23.437 13.829 ( 2.347 18.705 2.085) 18.966 15.425 ( 4.483 3.728 -13.937) 15.107 18.352 ( 0.883 0.540 -13.223) 13.264 20.908 ( -4.122 -9.500 18.206) 20.945 ======================= Grid point 538 (200/781) ======================= q-point: ( 0.45 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 2.386 -2.488 -1.231) 3.660 3.052 ( -1.127 1.727 3.549) 4.104 4.445 ( 1.121 0.676 27.863) 27.894 5.656 ( 19.179 21.197 0.072) 28.586 6.967 ( 3.538 -10.156 -21.196) 23.768 9.191 ( -3.784 27.193 9.293) 28.985 11.158 ( 30.693 2.024 -3.699) 30.981 12.861 ( -10.254 21.803 0.636) 24.102 14.010 ( -0.263 14.109 1.122) 14.156 15.488 ( 4.337 0.666 -10.066) 10.980 18.357 ( 2.535 2.659 -13.235) 13.735 20.784 ( -5.937 -8.922 16.456) 19.638 ======================= Grid point 539 (201/781) ======================= q-point: ( 0.50 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 3.025 -2.239 -2.218) 4.369 3.036 ( -2.721 0.231 2.440) 3.662 4.525 ( 1.004 -2.120 19.282) 19.424 6.112 ( 9.345 16.795 2.657) 19.403 6.940 ( 11.513 -3.784 -18.945) 22.489 9.397 ( -2.889 20.058 9.465) 22.366 11.695 ( 30.199 3.844 -4.850) 30.827 12.920 ( -7.533 21.040 1.090) 22.375 14.104 ( -2.497 9.582 1.183) 9.973 15.521 ( 2.908 -1.238 -7.253) 7.912 18.413 ( 4.818 3.879 -12.439) 13.892 20.631 ( -7.555 -8.461 14.479) 18.393 ======================= Grid point 540 (202/781) ======================= q-point: ( 0.55 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 3.653 -1.441 -2.756) 4.798 2.986 ( -3.499 -0.856 2.076) 4.158 4.551 ( 0.438 -4.044 10.821) 11.560 6.262 ( -2.037 4.348 1.513) 5.035 7.212 ( 17.254 14.631 -13.087) 26.135 9.525 ( -1.689 8.303 9.205) 12.511 12.185 ( 21.758 8.751 -8.557) 24.964 13.037 ( -0.458 16.469 4.352) 17.041 14.119 ( -4.648 4.648 2.042) 6.883 15.521 ( 1.277 -1.880 -5.508) 5.959 18.520 ( 7.176 4.408 -11.165) 13.985 20.451 ( -8.837 -8.056 12.465) 17.273 ======================= Grid point 541 (203/781) ======================= q-point: ( 0.60 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 4.157 -0.224 -3.133) 5.210 2.920 ( -3.411 -1.699 2.254) 4.427 4.529 ( -0.524 -4.557 4.096) 6.150 6.232 ( -3.198 0.394 1.265) 3.462 7.618 ( 9.191 25.927 -9.309) 29.041 9.554 ( 0.631 -5.639 8.728) 10.410 12.511 ( 5.158 17.721 -12.838) 22.482 13.267 ( 11.477 7.303 8.331) 15.952 14.047 ( -7.026 -1.059 3.353) 7.857 15.503 ( 0.503 -1.381 -4.447) 4.684 18.671 ( 9.074 4.583 -9.827) 14.139 20.252 ( -9.625 -7.620 10.650) 16.252 ======================= Grid point 542 (204/781) ======================= q-point: ( 0.65 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 4.260 1.245 -3.669) 5.759 2.857 ( -2.447 -2.424 2.847) 4.469 4.471 ( -2.204 -3.864 0.134) 4.450 6.195 ( -1.663 0.067 1.603) 2.311 7.925 ( -4.208 31.896 -7.537) 33.043 9.500 ( 4.325 -18.187 7.901) 20.295 12.652 ( -6.806 23.576 -13.097) 27.815 13.574 ( 16.088 0.828 8.022) 17.996 13.877 ( -9.742 -7.352 4.870) 13.140 15.495 ( 1.124 -0.244 -3.572) 3.753 18.853 ( 10.224 4.729 -8.933) 14.377 20.045 ( -9.794 -7.144 9.409) 15.345 ======================= Grid point 543 (205/781) ======================= q-point: (-0.30 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 3.529 2.791 -4.795) 6.575 2.812 ( -0.611 -3.194 3.908) 5.084 4.379 ( -5.064 -2.524 -0.814) 5.716 6.193 ( 0.712 0.341 1.449) 1.650 8.026 ( -17.123 29.329 -6.041) 34.495 9.413 ( 6.667 -22.189 6.333) 24.019 12.687 ( -12.615 25.440 -11.836) 30.764 13.603 ( -12.406 -14.120 6.703) 19.955 13.839 ( 12.768 -1.307 5.256) 13.869 15.521 ( 2.800 0.785 -2.517) 3.846 19.050 ( 10.343 5.152 -9.515) 14.969 19.844 ( -9.075 -6.813 9.719) 14.940 ======================= Grid point 544 (206/781) ======================= q-point: (-0.25 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 1.760 3.752 -6.554) 7.754 2.802 ( 1.815 -3.622 5.193) 6.587 4.243 ( -9.104 -0.931 1.080) 9.215 6.227 ( 2.033 0.431 0.863) 2.250 7.896 ( -21.499 16.226 -4.545) 27.315 9.331 ( 2.257 -14.115 4.206) 14.900 12.661 ( -15.886 25.599 -10.807) 32.007 13.228 ( -15.041 -19.597 8.170) 26.019 14.002 ( 7.132 -2.046 2.428) 7.807 15.587 ( 4.368 1.164 -1.424) 4.739 19.229 ( 7.431 6.319 -14.769) 17.699 19.681 ( -5.412 -7.142 14.795) 17.298 ======================= Grid point 545 (207/781) ======================= q-point: (-0.20 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 0.699 2.965 -7.459) 8.057 2.828 ( 2.670 -2.611 5.053) 6.283 4.061 ( -13.566 0.767 5.540) 14.674 6.236 ( -2.884 -0.716 0.068) 2.972 7.660 ( -13.085 2.336 -3.710) 13.800 9.218 ( -7.914 -2.236 2.439) 8.578 12.591 ( -17.617 24.517 -10.541) 31.978 12.774 ( -16.741 -23.043 9.743) 30.103 14.054 ( 0.914 -1.763 0.038) 1.987 15.674 ( 4.811 0.937 -0.878) 4.979 19.273 ( -3.686 5.609 -20.531) 21.600 19.673 ( 6.485 -5.611 20.564) 22.280 ======================= Grid point 546 (208/781) ======================= q-point: (-0.15 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 0.420 2.231 -8.575) 8.871 2.858 ( 1.500 -1.732 4.538) 5.084 3.840 ( -17.335 2.439 12.433) 21.471 6.053 ( -16.233 -4.874 -1.063) 16.982 7.567 ( 5.654 -4.262 -3.370) 7.841 9.021 ( -19.318 7.498 1.189) 20.756 12.265 ( -17.554 -23.904 8.273) 30.789 12.511 ( -17.481 22.991 -7.835) 29.926 13.999 ( -5.455 -1.237 -1.608) 5.820 15.753 ( 3.869 0.505 -1.374) 4.137 19.154 ( -7.736 3.976 -17.135) 19.216 19.851 ( 11.555 -3.313 17.562) 21.282 ======================= Grid point 547 (209/781) ======================= q-point: (-0.10 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -1.041 2.615 -9.727) 10.126 2.866 ( -0.318 -1.508 3.697) 4.005 3.608 ( -19.196 3.777 21.711) 29.225 5.624 ( -24.274 -8.527 -2.471) 25.847 7.727 ( 18.962 -6.147 -3.311) 20.207 8.718 ( -29.648 14.672 0.042) 33.080 11.769 ( -16.491 -23.299 9.297) 30.021 12.427 ( -16.267 23.110 -7.988) 29.368 13.836 ( -11.996 -0.849 -2.612) 12.306 15.798 ( 1.731 0.248 -3.227) 3.670 19.016 ( -7.275 4.044 -15.546) 17.634 20.076 ( 12.579 -3.140 17.121) 21.476 ======================= Grid point 548 (210/781) ======================= q-point: (-0.05 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( -4.034 4.226 -8.153) 10.030 2.829 ( -3.653 -1.283 1.295) 4.083 3.413 ( -17.407 4.388 32.021) 36.710 5.116 ( -24.372 -7.156 -4.112) 25.731 8.018 ( 23.631 -8.511 -1.893) 25.188 8.314 ( -37.596 20.455 -2.961) 42.902 11.333 ( -13.708 -18.544 9.287) 24.860 12.373 ( -13.796 22.615 -7.274) 27.471 13.563 ( -18.681 -0.451 -3.153) 18.951 15.793 ( -1.200 0.512 -6.617) 6.744 18.905 ( -5.323 4.026 -13.947) 15.462 20.307 ( 12.634 -3.812 17.817) 22.172 ======================= Grid point 556 (211/781) ======================= q-point: ( 0.35 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 0.000 -2.161 1.720) 2.762 2.979 ( 0.000 5.827 6.997) 9.106 4.320 ( 0.000 3.193 39.407) 39.536 4.770 ( -0.000 18.149 -6.343) 19.225 7.035 ( -0.000 1.285 -21.004) 21.043 9.078 ( -0.000 25.951 6.032) 26.642 10.192 ( -0.000 1.184 -3.911) 4.086 13.056 ( -0.000 14.589 2.179) 14.750 13.767 ( -0.000 24.197 3.179) 24.405 15.336 ( -0.000 4.548 -16.775) 17.381 18.343 ( -0.000 0.108 -12.403) 12.403 20.978 ( 0.000 -9.617 18.345) 20.713 ======================= Grid point 557 (212/781) ======================= q-point: ( 0.40 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 0.744 -2.692 0.443) 2.828 3.052 ( 0.674 3.650 5.383) 6.539 4.439 ( -0.601 0.849 33.081) 33.097 5.035 ( 12.427 17.471 -3.895) 21.791 6.940 ( -0.426 -6.838 -20.234) 21.362 9.348 ( -3.874 31.160 7.315) 32.241 10.327 ( 15.112 1.683 -2.912) 15.482 13.151 ( -5.426 15.184 1.321) 16.178 14.004 ( 0.418 20.719 1.876) 20.808 15.345 ( 2.941 1.386 -14.005) 14.377 18.320 ( 0.196 2.229 -12.082) 12.287 20.921 ( -2.107 -8.906 16.644) 18.994 ======================= Grid point 558 (213/781) ======================= q-point: ( 0.45 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 1.521 -2.810 -0.503) 3.235 3.094 ( -0.542 1.807 3.501) 3.977 4.512 ( -0.327 -1.754 25.409) 25.471 5.485 ( 21.206 16.805 -0.914) 27.072 6.792 ( -0.457 -9.221 -17.914) 20.153 9.582 ( -6.142 29.308 7.299) 30.822 10.689 ( 25.433 2.263 -1.958) 25.608 13.197 ( -7.136 16.248 -0.031) 17.746 14.179 ( -1.710 16.497 0.920) 16.611 15.376 ( 4.739 -1.144 -10.495) 11.572 18.323 ( 0.945 3.609 -11.257) 11.859 20.831 ( -4.160 -8.206 14.542) 17.208 ======================= Grid point 559 (214/781) ======================= q-point: ( 0.50 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 2.383 -2.500 -1.070) 3.616 3.089 ( -2.242 0.543 2.067) 3.098 4.543 ( -0.133 -4.075 17.504) 17.973 6.026 ( 21.224 15.676 3.157) 26.573 6.677 ( 4.650 -7.340 -16.625) 18.759 9.741 ( -8.328 23.331 6.932) 25.725 11.187 ( 30.855 2.526 -1.729) 31.007 13.234 ( -7.044 16.269 -0.963) 17.754 14.273 ( -4.208 12.645 0.744) 13.348 15.413 ( 4.841 -2.853 -7.297) 9.210 18.359 ( 2.498 4.296 -9.990) 11.158 20.707 ( -6.098 -7.592 12.174) 15.589 ======================= Grid point 560 (215/781) ======================= q-point: ( 0.55 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 3.313 -1.794 -1.319) 3.991 3.045 ( -3.529 -0.323 1.275) 3.767 4.534 ( -0.136 -5.157 10.157) 11.392 6.323 ( -0.066 3.211 3.044) 4.425 6.892 ( 27.194 7.810 -11.954) 30.715 9.784 ( -11.007 14.495 6.444) 19.307 11.744 ( 31.861 3.294 -2.551) 32.133 13.274 ( -5.704 14.797 -0.406) 15.863 14.287 ( -6.889 8.645 1.008) 11.101 15.438 ( 3.798 -3.360 -4.934) 7.075 18.435 ( 4.684 4.441 -8.378) 10.576 20.550 ( -7.778 -7.019 9.714) 14.288 ======================= Grid point 561 (216/781) ======================= q-point: ( 0.60 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 4.224 -0.792 -1.363) 4.508 2.977 ( -4.121 -0.926 0.971) 4.334 4.503 ( -0.286 -4.722 4.495) 6.525 6.288 ( -3.392 -0.673 0.766) 3.542 7.471 ( 27.974 15.476 -6.679) 32.659 9.685 ( -13.298 3.537 5.940) 14.988 12.286 ( 27.817 5.759 -4.832) 28.815 13.330 ( -2.810 10.989 2.394) 11.592 14.211 ( -9.773 3.905 1.109) 10.582 15.449 ( 2.496 -2.515 -3.296) 4.839 18.554 ( 7.010 4.271 -6.594) 10.529 20.368 ( -9.028 -6.392 7.348) 13.280 ======================= Grid point 562 (217/781) ======================= q-point: ( 0.65 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 4.927 0.351 -1.355) 5.122 2.899 ( -3.952 -1.347 0.932) 4.278 4.463 ( -0.808 -3.236 1.099) 3.511 6.231 ( -2.646 -0.688 0.782) 2.844 8.047 ( 20.521 20.903 -5.581) 29.820 9.445 ( -13.529 -9.279 5.774) 17.392 12.737 ( 16.954 11.906 -8.792) 22.505 13.412 ( 3.242 2.380 7.625) 8.621 14.040 ( -12.429 -0.818 0.558) 12.468 15.459 ( 1.724 -0.921 -2.098) 2.868 18.713 ( 8.946 4.037 -4.914) 10.977 20.169 ( -9.711 -5.648 5.284) 12.415 ======================= Grid point 563 (218/781) ======================= q-point: (-0.30 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 5.125 1.506 -1.541) 5.559 2.827 ( -3.049 -1.745 1.055) 3.668 4.418 ( -2.140 -1.345 0.034) 2.527 6.196 ( -0.984 -0.499 0.670) 1.291 8.489 ( 1.461 29.582 -6.787) 30.385 9.122 ( -3.870 -24.766 6.938) 26.008 13.011 ( 0.233 20.484 -11.158) 23.327 13.506 ( 7.075 -13.774 13.036) 20.242 13.815 ( -9.626 -0.562 -2.158) 9.881 15.483 ( 2.015 0.480 -1.044) 2.320 18.901 ( 10.114 3.954 -3.825) 11.513 19.966 ( -9.734 -4.865 3.930) 11.570 ======================= Grid point 564 (219/781) ======================= q-point: (-0.25 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 4.283 2.840 -2.641) 5.778 2.773 ( -1.298 -2.548 1.809) 3.384 4.360 ( -4.654 0.552 1.194) 4.836 6.194 ( 1.242 -0.613 0.247) 1.407 8.407 ( -26.350 4.841 -3.426) 27.009 9.102 ( 14.295 -5.023 3.145) 15.474 13.096 ( -10.410 21.753 -8.266) 25.493 13.292 ( -12.324 -20.191 8.163) 25.024 13.837 ( 9.218 -1.678 -0.429) 9.380 15.532 ( 3.128 1.076 -0.073) 3.309 19.101 ( 10.039 4.392 -4.699) 11.923 19.775 ( -8.728 -4.477 4.633) 10.849 ======================= Grid point 565 (220/781) ======================= q-point: (-0.20 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 0.185 3.779 -6.482) 7.505 2.762 ( 3.157 -3.293 4.929) 6.716 4.275 ( -8.241 2.324 4.409) 9.631 6.216 ( 1.950 -1.686 -0.412) 2.610 7.926 ( -22.324 -12.081 -1.392) 25.422 9.296 ( 3.069 9.770 0.463) 10.251 12.845 ( -15.995 -24.218 8.759) 30.316 13.072 ( -15.238 21.716 -8.226) 27.775 13.965 ( 7.307 -1.844 -1.587) 7.701 15.605 ( 4.141 0.860 0.407) 4.249 19.273 ( 5.439 6.478 -12.826) 15.364 19.635 ( -3.358 -5.774 12.737) 14.382 ======================= Grid point 566 (221/781) ======================= q-point: (-0.15 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -0.168 1.212 -5.705) 5.835 2.816 ( 3.105 -0.772 3.135) 4.479 4.153 ( -12.130 3.929 9.451) 15.872 6.171 ( -5.106 -5.586 -1.246) 7.670 7.503 ( -9.044 -14.626 -1.391) 17.253 9.372 ( -8.700 15.226 -0.332) 17.540 12.345 ( -17.237 -24.866 8.098) 31.321 12.982 ( -16.100 19.029 -6.764) 25.827 14.023 ( 1.156 -0.052 -2.757) 2.990 15.684 ( 4.299 0.285 -0.108) 4.310 19.273 ( -6.220 6.706 -20.433) 22.387 19.686 ( 9.075 -5.440 20.604) 23.162 ======================= Grid point 567 (222/781) ======================= q-point: (-0.10 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 0.413 0.925 -6.314) 6.395 2.856 ( 1.218 -0.499 2.642) 2.952 4.002 ( -15.280 5.294 16.117) 22.831 5.882 ( -18.050 -10.930 -2.178) 21.213 7.389 ( 10.028 -10.758 -2.066) 14.851 9.296 ( -19.480 18.360 -0.717) 26.778 11.848 ( -16.419 -22.891 7.817) 29.235 12.871 ( -15.293 17.005 -6.081) 23.665 13.982 ( -5.943 1.681 -3.225) 6.967 15.747 ( 3.323 -0.180 -1.823) 3.795 19.145 ( -8.283 5.731 -18.613) 21.163 19.885 ( 12.120 -4.360 19.522) 23.388 ======================= Grid point 568 (223/781) ======================= q-point: (-0.05 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 0.234 1.499 -6.823) 6.989 2.860 ( -1.035 -0.699 2.290) 2.609 3.845 ( -16.714 6.358 24.119) 30.025 5.417 ( -22.018 -9.712 -3.275) 24.287 7.551 ( 19.870 -9.362 -3.311) 22.214 9.074 ( -28.818 20.523 -0.902) 35.390 11.414 ( -13.743 -17.660 7.360) 23.557 12.770 ( -13.267 15.547 -5.377) 21.134 13.836 ( -13.164 3.242 -3.245) 13.940 15.776 ( 1.317 -0.210 -4.684) 4.871 19.013 ( -7.438 5.321 -17.400) 19.657 20.108 ( 12.580 -4.638 19.706) 23.835 ======================= Grid point 577 (224/781) ======================= q-point: ( 0.40 0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 0.000 -3.000 0.228) 3.008 3.093 ( 0.000 2.774 4.572) 5.347 4.532 ( 0.000 -2.337 29.145) 29.238 5.072 ( -0.000 15.722 -4.618) 16.386 6.815 ( -0.000 -8.227 -17.378) 19.227 9.720 ( -0.000 32.289 6.958) 33.030 10.202 ( -0.000 1.564 -2.027) 2.560 13.329 ( -0.000 12.318 1.122) 12.369 14.209 ( -0.000 19.909 1.075) 19.938 15.281 ( -0.000 -0.794 -12.947) 12.972 18.314 ( -0.000 3.448 -10.646) 11.190 20.902 ( 0.000 -8.110 14.639) 16.735 ======================= Grid point 578 (225/781) ======================= q-point: ( 0.45 0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 0.723 -2.942 0.021) 3.030 3.126 ( -0.172 1.642 3.159) 3.564 4.563 ( -0.854 -4.695 22.063) 22.573 5.321 ( 13.631 13.691 -2.719) 19.510 6.682 ( -1.178 -7.453 -13.744) 15.679 9.981 ( -5.495 27.250 5.571) 28.351 10.362 ( 15.585 3.517 -0.437) 15.983 13.417 ( -3.152 11.546 0.199) 11.970 14.378 ( -1.728 17.029 0.362) 17.120 15.258 ( 3.146 -2.550 -10.438) 11.196 18.323 ( 0.193 4.074 -9.027) 9.906 20.848 ( -2.178 -7.283 12.226) 14.397 ======================= Grid point 579 (226/781) ======================= q-point: ( 0.50 0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 1.572 -2.521 -0.064) 2.971 3.132 ( -1.416 0.687 1.697) 2.315 4.549 ( -0.762 -6.006 14.803) 15.993 5.763 ( 23.796 11.872 -0.206) 26.594 6.558 ( -1.491 -5.681 -10.511) 12.041 10.122 ( -7.612 21.373 4.541) 23.139 10.738 ( 24.204 3.412 0.232) 24.444 13.458 ( -4.496 10.840 -0.925) 11.772 14.481 ( -4.201 14.170 0.198) 14.781 15.271 ( 5.086 -4.012 -7.374) 9.816 18.348 ( 0.920 4.237 -7.252) 8.449 20.758 ( -4.348 -6.509 9.525) 12.329 ======================= Grid point 580 (227/781) ======================= q-point: ( 0.55 0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 2.565 -1.797 0.026) 3.132 3.102 ( -2.910 0.026 0.633) 2.978 4.513 ( -0.476 -5.938 8.623) 10.480 6.297 ( 18.458 9.061 6.811) 21.660 6.497 ( 10.299 -2.451 -12.964) 16.737 10.149 ( -11.996 14.961 3.696) 19.529 11.230 ( 30.450 2.176 0.022) 30.528 13.477 ( -4.526 9.433 -1.052) 10.515 14.509 ( -7.322 11.034 0.044) 13.242 15.304 ( 5.701 -4.437 -4.577) 8.552 18.398 ( 2.426 4.054 -5.290) 7.093 20.632 ( -6.362 -5.758 6.697) 10.884 ======================= Grid point 581 (228/781) ======================= q-point: ( 0.60 0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 3.634 -0.881 0.284) 3.750 3.042 ( -4.021 -0.384 0.002) 4.040 4.474 ( -0.183 -4.575 4.007) 6.085 6.339 ( -3.415 -0.809 0.090) 3.510 7.020 ( 34.974 7.738 -3.105) 35.954 10.022 ( -16.934 7.071 2.481) 18.518 11.788 ( 32.814 2.072 -0.489) 32.883 13.486 ( -3.827 7.112 0.433) 8.088 14.442 ( -10.818 6.474 -0.867) 12.636 15.349 ( 5.136 -2.966 -2.259) 6.346 18.481 ( 4.578 3.630 -3.147) 6.636 20.473 ( -8.033 -4.929 3.896) 10.198 ======================= Grid point 582 (229/781) ======================= q-point: ( 0.65 0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 4.634 0.065 0.654) 4.680 2.963 ( -4.509 -0.575 -0.403) 4.564 4.445 ( -0.038 -2.552 1.115) 2.785 6.275 ( -3.204 -0.625 -0.204) 3.270 7.679 ( 34.426 7.258 -0.728) 35.190 9.735 ( -21.437 -0.380 0.994) 21.464 12.352 ( 31.075 2.892 -1.297) 31.237 13.485 ( -3.234 3.290 3.258) 5.648 14.267 ( -13.723 1.609 -2.477) 14.037 15.402 ( 3.638 -0.673 -0.657) 3.757 18.605 ( 6.933 3.103 -0.930) 7.653 20.291 ( -9.205 -3.928 1.255) 10.086 ======================= Grid point 583 (230/781) ======================= q-point: (-0.30 -0.60 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 5.353 0.836 1.070) 5.523 2.880 ( -4.352 -0.579 -0.827) 4.467 4.429 ( -0.302 -0.476 -0.106) 0.574 6.221 ( -2.439 -0.395 -0.217) 2.481 8.293 ( 31.127 3.525 1.442) 31.359 9.313 ( -25.324 -3.618 -1.286) 25.614 12.866 ( 25.774 4.470 -2.049) 26.239 13.443 ( -4.133 -3.490 6.623) 8.551 14.013 ( -14.758 -0.726 -4.733) 15.515 15.453 ( 2.303 0.978 0.362) 2.528 18.768 ( 8.938 2.616 1.124) 9.380 20.098 ( -9.794 -2.764 -1.069) 10.233 ======================= Grid point 584 (231/781) ======================= q-point: (-0.25 0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 5.574 1.202 1.532) 5.905 2.804 ( -3.665 -0.396 -1.506) 3.982 4.421 ( -1.312 1.366 0.284) 1.915 6.186 ( -1.037 -0.488 -0.372) 1.205 8.613 ( 1.186 -29.429 6.961) 30.264 8.995 ( -3.722 24.335 -7.136) 25.632 13.227 ( 4.744 -16.075 10.909) 19.998 13.323 ( 1.055 10.695 -5.669) 12.150 13.780 ( -8.416 -0.602 -5.492) 10.068 15.503 ( 2.021 1.542 1.127) 2.781 18.959 ( 10.157 2.318 2.544) 10.724 19.905 ( -9.766 -1.647 -2.677) 10.260 ======================= Grid point 585 (232/781) ======================= q-point: (-0.20 0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 5.207 0.468 2.681) 5.875 2.743 ( -2.686 0.527 -3.178) 4.195 4.408 ( -3.373 2.950 2.256) 5.017 6.174 ( 0.586 -1.353 -0.687) 1.627 8.100 ( -19.629 -27.367 1.963) 33.736 9.330 ( 8.990 20.001 -2.581) 22.080 12.884 ( -13.709 -24.740 9.120) 29.719 13.469 ( -10.717 18.271 -6.764) 22.237 13.767 ( 11.720 -3.595 -3.066) 12.636 15.560 ( 2.622 1.201 1.520) 3.260 19.163 ( 10.046 2.702 1.757) 10.550 19.727 ( -8.718 -1.272 -1.973) 9.028 ======================= Grid point 586 (233/781) ======================= q-point: (-0.15 0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -0.700 -1.645 -1.086) 2.092 2.769 ( 3.348 2.490 -0.166) 4.176 4.373 ( -6.426 4.326 5.718) 9.628 6.155 ( -0.472 -4.277 -1.184) 4.462 7.536 ( -16.022 -24.035 0.376) 28.889 9.600 ( 1.041 18.663 -1.553) 18.757 12.406 ( -16.111 -25.314 7.163) 30.850 13.368 ( -13.804 11.181 -4.862) 18.417 13.945 ( 8.309 2.884 -3.412) 9.434 15.622 ( 3.321 0.414 1.060) 3.511 19.330 ( 3.713 6.096 -9.835) 12.152 19.604 ( -1.671 -4.196 9.758) 10.753 ======================= Grid point 587 (234/781) ======================= q-point: (-0.10 0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 0.126 -0.854 -2.956) 3.080 2.836 ( 2.116 1.377 0.911) 2.684 4.308 ( -9.782 5.484 10.492) 15.357 6.004 ( -9.840 -10.522 -1.712) 14.508 7.179 ( -1.107 -15.989 -1.013) 16.059 9.713 ( -8.708 18.544 -1.050) 20.514 11.917 ( -15.665 -22.950 6.066) 28.440 13.222 ( -12.957 8.343 -4.116) 15.951 14.053 ( 0.471 5.620 -3.157) 6.463 15.681 ( 3.454 -0.333 -0.533) 3.511 19.292 ( -7.980 7.361 -20.222) 22.952 19.701 ( 10.693 -5.481 20.637) 23.881 ======================= Grid point 588 (235/781) ======================= q-point: (-0.05 0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 0.940 -0.425 -3.964) 4.096 2.870 ( 0.343 0.701 1.297) 1.513 4.216 ( -12.417 6.385 16.362) 21.509 5.639 ( -17.416 -11.609 -2.314) 21.058 7.165 ( 13.041 -10.295 -2.778) 16.845 9.663 ( -18.326 18.710 -0.542) 26.196 11.489 ( -13.133 -17.402 5.135) 22.398 13.080 ( -11.465 7.481 -3.482) 14.126 14.049 ( -7.224 6.924 -2.686) 10.360 15.724 ( 2.681 -0.712 -3.126) 4.179 19.154 ( -8.865 6.454 -19.358) 22.248 19.909 ( 12.348 -5.271 20.699) 24.672 ======================= Grid point 598 (236/781) ======================= q-point: ( 0.45 0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 0.000 -2.762 0.433) 2.796 3.150 ( 0.000 1.169 2.337) 2.613 4.571 ( 0.000 -7.000 17.196) 18.566 5.315 ( -0.000 11.394 -3.102) 11.808 6.597 ( -0.000 -5.310 -9.648) 11.013 10.226 ( -0.000 1.347 0.140) 1.354 10.329 ( -0.000 25.522 4.739) 25.958 13.541 ( -0.000 8.987 0.054) 8.987 14.552 ( -0.000 15.141 -0.147) 15.141 15.172 ( -0.000 -3.353 -9.041) 9.643 18.339 ( -0.000 4.048 -6.771) 7.889 20.833 ( 0.000 -6.314 9.532) 11.433 ======================= Grid point 599 (237/781) ======================= q-point: ( 0.50 0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 0.773 -2.249 0.815) 2.514 3.159 ( -0.607 0.583 1.164) 1.437 4.535 ( -0.616 -7.275 11.404) 13.541 5.528 ( 14.190 8.766 -1.918) 16.789 6.520 ( -1.446 -3.259 -6.033) 7.008 10.313 ( 6.229 4.547 1.594) 7.875 10.566 ( 2.676 16.064 2.660) 16.501 13.599 ( -2.224 7.257 -0.670) 7.619 14.671 ( -2.112 13.006 -0.121) 13.177 15.138 ( 2.929 -4.310 -6.638) 8.439 18.362 ( 0.228 3.741 -4.530) 5.879 20.780 ( -2.291 -5.385 6.557) 8.789 ======================= Grid point 600 (238/781) ======================= q-point: ( 0.55 0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 1.689 -1.482 1.239) 2.566 3.144 ( -1.849 0.120 0.048) 1.853 4.485 ( -0.488 -5.994 6.443) 8.813 5.937 ( 25.697 6.184 -0.833) 26.444 6.450 ( -2.527 -1.613 -3.051) 4.277 10.436 ( -3.572 8.917 1.978) 9.807 10.821 ( 18.123 4.088 1.126) 18.613 13.610 ( -3.262 5.438 -0.874) 6.401 14.726 ( -5.450 10.640 -0.515) 11.965 15.148 ( 5.499 -4.760 -3.693) 8.157 18.395 ( 0.979 3.274 -2.225) 4.078 20.689 ( -4.539 -4.469 3.449) 7.244 ======================= Grid point 601 (239/781) ======================= q-point: ( 0.60 0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 2.738 -0.592 1.742) 3.299 3.100 ( -3.211 -0.137 -0.750) 3.300 4.445 ( -0.109 -3.921 2.671) 4.746 6.380 ( -0.721 -1.468 -5.314) 5.560 6.493 ( 30.867 4.851 4.392) 31.553 10.352 ( -13.790 4.456 0.237) 14.494 11.265 ( 29.901 0.849 1.292) 29.941 13.596 ( -3.257 3.245 0.301) 4.607 14.671 ( -9.716 5.066 -2.482) 11.235 15.216 ( 6.912 -1.842 -0.466) 7.168 18.449 ( 2.474 2.666 0.229) 3.645 20.562 ( -6.548 -3.463 0.348) 7.416 ======================= Grid point 602 (240/781) ======================= q-point: (-0.35 -0.55 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 3.816 0.253 2.312) 4.469 3.032 ( -4.210 -0.181 -1.287) 4.406 4.423 ( 0.327 -1.759 0.018) 1.789 6.322 ( -3.014 -0.251 -1.771) 3.504 7.115 ( 36.202 1.731 3.122) 36.378 10.080 ( -19.375 -1.377 -1.793) 19.507 11.816 ( 33.407 0.432 1.536) 33.445 13.564 ( -3.131 0.146 2.449) 3.977 14.492 ( -12.662 -0.258 -4.433) 13.418 15.325 ( 5.651 1.227 1.246) 5.915 18.535 ( 4.625 1.958 2.821) 5.760 20.406 ( -8.143 -2.261 -2.639) 8.853 ======================= Grid point 603 (241/781) ======================= q-point: (-0.30 -0.55 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 4.743 0.857 2.909) 5.630 2.951 ( -4.645 0.001 -1.777) 4.974 4.421 ( 0.691 0.036 -1.563) 1.709 6.266 ( -3.097 0.194 -1.152) 3.310 7.730 ( 34.900 -3.354 4.897) 35.401 9.688 ( -22.296 -3.304 -4.213) 22.930 12.382 ( 32.302 -0.079 2.163) 32.374 13.495 ( -4.158 -4.859 4.154) 7.625 14.234 ( -14.055 -2.042 -6.020) 15.426 15.425 ( 3.381 2.591 1.813) 4.629 18.661 ( 7.014 1.240 5.401) 8.939 20.232 ( -9.221 -0.841 -5.433) 10.736 ======================= Grid point 604 (242/781) ======================= q-point: (-0.25 -0.55 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 5.278 0.974 3.544) 6.431 2.869 ( -4.496 0.466 -2.468) 5.150 4.436 ( 0.808 1.367 -2.016) 2.566 6.216 ( -2.722 0.238 -0.864) 2.865 8.166 ( 22.133 -17.867 7.778) 29.489 9.325 ( -15.570 6.390 -7.478) 18.416 12.878 ( 25.020 -4.797 6.350) 26.255 13.345 ( -4.745 -8.986 0.464) 10.173 13.976 ( -12.971 0.931 -6.257) 14.432 15.498 ( 1.646 2.704 2.114) 3.807 18.825 ( 9.057 0.595 7.725) 11.919 20.051 ( -9.781 0.666 -7.920) 12.603 ======================= Grid point 605 (243/781) ======================= q-point: (-0.20 -0.55 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 5.059 0.109 4.411) 6.712 2.799 ( -3.685 1.566 -3.684) 5.441 4.460 ( 0.373 2.381 -1.233) 2.707 6.174 ( -1.912 -0.508 -0.728) 2.108 8.045 ( -6.843 -31.557 5.669) 32.784 9.375 ( 6.480 18.012 -5.693) 19.971 12.871 ( -9.043 -24.132 10.261) 27.739 13.446 ( 19.057 0.969 -5.395) 19.830 13.790 ( -11.266 6.430 -4.635) 13.775 15.550 ( 1.097 2.082 2.331) 3.312 19.018 ( 10.330 0.116 9.438) 13.993 19.872 ( -9.860 1.938 -9.770) 14.016 ======================= Grid point 606 (244/781) ======================= q-point: (-0.15 0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 2.135 -2.480 4.188) 5.314 2.773 ( -0.455 3.998 -4.085) 5.734 4.483 ( -1.010 3.272 0.843) 3.526 6.130 ( -1.544 -3.031 -0.777) 3.489 7.548 ( -14.964 -28.615 2.346) 32.377 9.686 ( 8.682 16.901 -2.738) 19.196 12.435 ( -14.438 -25.722 6.106) 30.123 13.571 ( -3.018 -5.421 -2.982) 6.883 13.837 ( 7.716 13.401 -3.405) 15.834 15.593 ( 1.437 1.132 2.023) 2.727 19.224 ( 10.396 0.256 9.278) 13.936 19.703 ( -9.131 2.242 -9.603) 13.440 ======================= Grid point 607 (245/781) ======================= q-point: (-0.10 0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -0.231 -1.936 0.080) 1.951 2.822 ( 1.903 3.003 -0.709) 3.625 4.490 ( -3.454 4.125 4.139) 6.788 6.025 ( -5.136 -8.855 -0.975) 10.283 7.095 ( -8.952 -19.637 0.316) 21.583 9.933 ( 2.063 15.514 -1.292) 15.704 11.961 ( -14.425 -23.376 4.080) 27.769 13.425 ( -7.808 -1.804 -2.359) 8.353 14.067 ( 5.583 10.055 -2.290) 11.727 15.633 ( 1.997 0.173 0.715) 2.129 19.393 ( 2.461 5.053 -5.669) 7.983 19.583 ( -0.659 -2.657 5.646) 6.274 ======================= Grid point 608 (246/781) ======================= q-point: (-0.05 0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 0.299 -1.198 -1.752) 2.144 2.872 ( 1.095 1.720 0.499) 2.099 4.469 ( -6.374 4.868 8.466) 11.662 5.763 ( -11.895 -12.526 -1.254) 17.320 6.911 ( 4.049 -10.400 -1.653) 11.283 10.039 ( -6.802 14.680 -0.278) 16.181 11.543 ( -12.004 -17.691 2.649) 21.542 13.275 ( -8.045 0.146 -1.690) 8.222 14.192 ( -1.144 8.942 -1.513) 9.141 15.666 ( 2.250 -0.548 -1.615) 2.823 19.319 ( -9.344 7.365 -19.903) 23.188 19.713 ( 11.599 -5.702 20.543) 24.271 ======================= Grid point 619 (247/781) ======================= q-point: ( 0.50 0.50 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 0.000 -1.686 1.594) 2.321 3.171 ( 0.000 0.275 0.350) 0.445 4.497 ( 0.000 -6.906 7.518) 10.209 5.473 ( -0.000 6.194 -1.784) 6.446 6.497 ( -0.000 -1.467 -3.050) 3.384 10.253 ( 0.000 0.625 2.432) 2.511 10.732 ( -0.000 13.510 1.086) 13.554 13.674 ( -0.000 4.805 -1.013) 4.911 14.801 ( -0.000 10.715 0.283) 10.719 15.057 ( -0.000 -4.240 -5.029) 6.578 18.384 ( -0.000 3.067 -1.920) 3.618 20.767 ( 0.000 -4.309 3.354) 5.461 ======================= Grid point 620 (248/781) ======================= q-point: ( 0.55 0.50 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 0.829 -0.912 2.310) 2.618 3.166 ( -0.761 -0.049 -0.619) 0.982 4.452 ( -0.228 -5.012 3.752) 6.264 5.637 ( 14.205 3.352 -1.179) 14.642 6.472 ( -1.462 -0.014 -0.561) 1.566 10.364 ( 10.663 0.484 3.408) 11.204 10.803 ( -2.470 5.938 -0.987) 6.506 13.690 ( -1.818 2.607 -1.280) 3.427 14.886 ( -2.375 8.747 -0.318) 9.069 15.021 ( 2.932 -4.563 -1.939) 5.760 18.410 ( 0.301 2.357 0.663) 2.467 20.715 ( -2.366 -3.256 0.044) 4.026 ======================= Grid point 621 (249/781) ======================= q-point: (-0.40 -0.50 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 1.774 -0.068 3.004) 3.489 3.139 ( -1.920 -0.222 -1.446) 2.413 4.418 ( -0.043 -2.782 0.450) 2.818 5.989 ( 24.985 0.087 -2.145) 25.077 6.452 ( -1.695 1.699 3.081) 3.905 10.519 ( -0.710 -0.764 1.119) 1.529 10.867 ( 14.479 -0.482 -0.073) 14.487 13.663 ( -2.584 0.329 -0.382) 2.633 14.830 ( -6.995 -0.810 -4.305) 8.253 15.103 ( 6.350 2.563 3.302) 7.603 18.446 ( 1.088 1.595 3.347) 3.864 20.625 ( -4.604 -2.118 -3.239) 6.014 ======================= Grid point 622 (250/781) ======================= q-point: (-0.35 -0.50 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 2.803 0.682 3.683) 4.678 3.089 ( -3.152 -0.188 -1.996) 3.736 4.399 ( 0.415 -1.046 -2.371) 2.624 6.308 ( 7.868 -2.204 -7.134) 10.847 6.603 ( 22.143 2.183 10.392) 24.558 10.322 ( -14.272 -6.664 -3.155) 16.065 11.276 ( 30.321 -0.833 2.756) 30.457 13.608 ( -2.854 -2.683 1.453) 4.178 14.643 ( -9.644 -5.046 -5.362) 12.133 15.258 ( 6.017 4.591 4.020) 8.570 18.501 ( 2.594 0.761 6.175) 6.741 20.503 ( -6.524 -0.780 -6.384) 9.161 ======================= Grid point 623 (251/781) ======================= q-point: (-0.30 -0.50 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 3.785 1.188 4.324) 5.868 3.020 ( -4.054 0.063 -2.380) 4.702 4.397 ( 1.115 -0.052 -4.610) 4.743 6.310 ( -1.550 0.157 -2.845) 3.244 7.128 ( 33.159 -3.434 8.410) 34.381 9.950 ( -17.706 -9.591 -5.456) 20.863 11.823 ( 33.644 -1.176 3.717) 33.869 13.512 ( -3.943 -7.644 2.831) 9.055 14.393 ( -11.136 -5.725 -5.935) 13.857 15.404 ( 4.238 4.739 3.654) 7.333 18.588 ( 4.769 -0.076 9.021) 10.205 20.357 ( -8.010 0.782 -9.315) 12.310 ======================= Grid point 624 (252/781) ======================= q-point: (-0.25 -0.50 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 4.489 1.297 4.898) 6.769 2.943 ( -4.422 0.552 -2.799) 5.262 4.409 ( 1.988 0.347 -6.027) 6.356 6.269 ( -2.905 0.621 -1.315) 3.248 7.617 ( 27.855 -11.745 9.347) 31.642 9.562 ( -14.628 -5.950 -7.608) 17.529 12.376 ( 31.471 -2.848 5.516) 32.078 13.325 ( -6.258 -14.409 1.105) 15.748 14.150 ( -10.237 -2.494 -5.206) 11.752 15.509 ( 1.998 4.099 3.229) 5.588 18.715 ( 7.174 -0.816 11.631) 13.690 20.197 ( -9.043 2.452 -11.972) 15.203 ======================= Grid point 625 (253/781) ======================= q-point: (-0.20 -0.50 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 4.549 0.786 5.381) 7.090 2.870 ( -4.105 1.377 -3.412) 5.513 4.436 ( 2.837 0.471 -6.346) 6.967 6.216 ( -3.304 -0.228 -0.500) 3.350 7.781 ( 7.159 -24.352 8.671) 26.822 9.407 ( 1.514 5.227 -7.449) 9.225 12.735 ( 8.112 -16.313 11.939) 21.782 13.128 ( 8.515 -9.366 -7.405) 14.665 13.984 ( -7.832 2.222 -3.181) 8.741 15.572 ( 0.380 3.125 3.074) 4.400 18.880 ( 9.198 -1.449 13.801) 16.649 20.032 ( -9.691 3.982 -14.270) 17.703 ======================= Grid point 626 (254/781) ======================= q-point: (-0.15 -0.50 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 3.127 -0.650 5.336) 6.218 2.821 ( -2.467 2.755 -3.848) 5.337 4.476 ( 3.258 0.618 -5.399) 6.336 6.144 ( -3.502 -3.186 -0.034) 4.735 7.496 ( -9.757 -26.420 4.805) 28.571 9.621 ( 13.307 9.993 -3.942) 17.102 12.426 ( -12.355 -25.835 5.210) 29.108 13.347 ( 16.424 -6.542 -2.761) 17.893 13.929 ( -2.308 7.796 -1.645) 8.295 15.607 ( -0.205 2.134 2.845) 3.563 19.073 ( 10.480 -2.017 15.449) 18.777 19.865 ( -10.025 5.065 -16.026) 19.570 ======================= Grid point 627 (255/781) ======================= q-point: (-0.10 -0.50 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( 0.101 -1.589 2.661) 3.101 2.828 ( 0.582 3.280 -1.906) 3.838 4.522 ( 2.701 0.961 -3.219) 4.311 6.020 ( -4.826 -9.128 0.145) 10.327 7.087 ( -11.556 -18.082 1.984) 21.551 9.934 ( 11.878 9.656 -1.507) 15.381 11.970 ( -13.019 -24.004 1.941) 27.377 13.419 ( 2.454 -7.808 -0.974) 8.242 14.060 ( 6.105 9.731 -0.707) 11.509 15.627 ( -0.092 1.250 1.923) 2.295 19.279 ( 10.860 -2.338 16.147) 19.599 19.700 ( -9.890 5.280 -16.608) 20.038 ======================= Grid point 628 (256/781) ======================= q-point: (-0.05 0.50 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( -0.620 -1.074 0.000) 1.241 2.871 ( 1.235 2.139 -0.000) 2.470 4.561 ( 0.865 1.499 -0.000) 1.730 5.798 ( -7.778 -13.472 -0.000) 15.556 6.824 ( -4.624 -8.009 -0.000) 9.248 10.168 ( 5.043 8.734 -0.000) 10.085 11.562 ( -10.610 -18.377 -0.000) 21.220 13.341 ( -2.811 -4.868 -0.000) 5.622 14.245 ( 4.501 7.795 -0.000) 9.001 15.640 ( 0.273 0.473 -0.000) 0.546 19.458 ( 1.917 3.320 -0.000) 3.833 19.564 ( -0.662 -1.146 -0.000) 1.323 ======================= Grid point 641 (257/781) ======================= q-point: (-0.45 -0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 0.000 -0.189 3.247) 3.252 3.167 ( -0.000 -0.358 -1.425) 1.469 4.420 ( 0.000 -3.199 0.652) 3.265 5.533 ( -0.000 0.701 -0.609) 0.929 6.492 ( 0.000 1.426 1.204) 1.867 10.277 ( 0.000 -0.393 4.693) 4.709 10.850 ( -0.000 -0.963 -3.066) 3.214 13.713 ( -0.000 0.147 -2.064) 2.069 14.939 ( -0.000 -5.268 -3.740) 6.461 14.991 ( 0.000 7.485 4.256) 8.610 18.433 ( 0.000 1.468 3.436) 3.737 20.705 ( -0.000 -2.093 -3.409) 4.000 ======================= Grid point 642 (258/781) ======================= q-point: (-0.40 -0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 0.858 0.544 4.071) 4.196 3.151 ( -0.673 -0.591 -2.213) 2.387 4.394 ( -0.009 -1.537 -2.720) 3.125 5.643 ( 13.765 -2.183 -0.426) 13.943 6.510 ( -1.185 3.189 3.560) 4.924 10.382 ( 10.306 -1.355 5.358) 11.695 10.768 ( -2.155 -7.629 -4.655) 9.193 13.684 ( -1.384 -2.214 -1.925) 3.243 14.850 ( -2.388 -7.366 -4.026) 8.727 15.097 ( 2.379 7.233 6.200) 9.819 18.459 ( 0.361 0.592 6.237) 6.275 20.655 ( -2.350 -0.863 -6.780) 7.228 ======================= Grid point 643 (259/781) ======================= q-point: (-0.35 -0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 1.791 1.147 4.810) 5.259 3.119 ( -1.628 -0.603 -2.751) 3.253 4.373 ( 0.315 -0.825 -6.142) 6.205 5.922 ( 22.571 -5.477 -2.092) 23.320 6.551 ( 0.148 5.460 7.766) 9.495 10.402 ( -6.820 -11.828 -2.529) 13.885 10.822 ( 21.226 -3.389 2.248) 21.612 13.615 ( -2.245 -5.100 -0.610) 5.606 14.686 ( -5.747 -9.318 -4.832) 11.966 15.243 ( 4.284 6.801 6.790) 10.522 18.495 ( 1.176 -0.326 9.136) 9.217 20.571 ( -4.485 0.550 -9.945) 10.923 ======================= Grid point 644 (260/781) ======================= q-point: (-0.30 -0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 2.754 1.520 5.462) 6.303 3.069 ( -2.688 -0.376 -3.009) 4.052 4.353 ( 1.149 -1.049 -9.267) 9.396 6.193 ( 14.885 -6.537 -5.040) 17.020 6.730 ( 13.334 4.778 13.150) 19.327 10.061 ( -12.846 -17.034 -6.136) 22.200 11.270 ( 31.089 -1.912 4.887) 31.529 13.496 ( -3.737 -9.793 0.653) 10.502 14.461 ( -7.680 -9.556 -5.107) 13.281 15.399 ( 4.188 6.035 5.989) 9.478 18.550 ( 2.722 -1.216 12.025) 12.389 20.460 ( -6.278 2.170 -12.798) 14.420 ======================= Grid point 645 (261/781) ======================= q-point: (-0.25 -0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 3.581 1.612 6.001) 7.172 3.006 ( -3.478 0.059 -3.144) 4.689 4.339 ( 2.499 -1.780 -11.664) 12.061 6.270 ( 3.243 -3.771 -2.802) 5.708 7.120 ( 23.421 -2.218 13.205) 26.978 9.655 ( -11.991 -16.496 -7.842) 21.849 11.816 ( 33.321 -2.344 5.938) 33.927 13.284 ( -6.685 -16.657 -0.065) 17.948 14.237 ( -7.079 -6.842 -4.128) 10.675 15.527 ( 2.611 4.906 4.891) 7.403 18.638 ( 4.939 -1.933 14.613) 15.546 20.330 ( -7.701 3.873 -15.271) 17.536 ======================= Grid point 646 (262/781) ======================= q-point: (-0.20 -0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 3.946 1.369 6.368) 7.615 2.938 ( -3.732 0.680 -3.328) 5.047 4.337 ( 4.214 -2.577 -12.909) 13.822 6.244 ( -0.879 -4.213 -0.648) 4.353 7.439 ( 14.368 -10.664 12.080) 21.589 9.367 ( -1.659 -9.434 -8.313) 12.683 12.337 ( 27.739 -5.540 8.847) 29.638 12.963 ( -6.588 -20.715 -4.691) 22.237 14.078 ( -4.907 -3.197 -2.091) 6.218 15.609 ( 0.674 3.685 4.177) 5.610 18.765 ( 7.310 -2.449 16.628) 18.328 20.188 ( -8.804 5.419 -17.322) 20.172 ======================= Grid point 647 (263/781) ======================= q-point: (-0.15 -0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 3.291 0.678 6.320) 7.158 2.879 ( -3.090 1.493 -3.500) 4.902 4.358 ( 5.979 -3.136 -12.732) 14.412 6.154 ( -2.736 -8.124 0.590) 8.592 7.418 ( -4.043 -15.131 8.096) 17.630 9.415 ( 14.490 -0.978 -5.273) 15.451 12.376 ( -8.719 -24.600 5.395) 26.651 12.945 ( 21.798 -6.219 -3.331) 22.911 14.000 ( -1.730 -0.047 -0.374) 1.770 15.650 ( -0.697 2.716 3.782) 4.708 18.930 ( 9.220 -2.934 18.057) 20.485 20.038 ( -9.663 6.560 -18.918) 22.232 ======================= Grid point 648 (264/781) ======================= q-point: (-0.10 -0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 0.916 -0.260 4.779) 4.873 2.853 ( -0.921 2.220 -2.616) 3.553 4.403 ( 7.262 -3.309 -11.149) 13.711 5.991 ( -4.087 -14.121 1.216) 14.751 7.157 ( -12.111 -9.324 4.026) 15.805 9.716 ( 19.649 1.569 -1.816) 19.795 11.945 ( -11.841 -24.607 -0.211) 27.309 13.201 ( 13.882 -7.289 0.501) 15.687 14.036 ( 4.542 3.040 0.771) 5.520 15.666 ( -1.344 2.105 3.103) 3.983 19.119 ( 10.426 -3.574 19.099) 22.051 19.879 ( -10.314 7.153 -20.013) 23.624 ======================= Grid point 662 (265/781) ======================= q-point: (-0.40 -0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 0.000 1.100 4.967) 5.087 3.140 ( -0.000 -1.051 -3.016) 3.194 4.369 ( -0.000 -0.923 -6.732) 6.795 5.493 ( 0.000 -4.758 0.431) 4.778 6.575 ( 0.000 5.457 5.448) 7.711 10.293 ( 0.000 -1.421 6.784) 6.931 10.663 ( -0.000 -15.089 -6.364) 16.377 13.655 ( -0.000 -4.513 -3.079) 5.463 14.776 ( -0.000 -9.629 -3.200) 10.147 15.169 ( 0.000 7.034 7.895) 10.574 18.480 ( 0.000 -0.342 9.032) 9.039 20.648 ( -0.000 0.425 -10.156) 10.165 ======================= Grid point 663 (266/781) ======================= q-point: (-0.35 -0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 0.863 1.478 5.724) 5.974 3.116 ( -0.333 -1.335 -3.621) 3.874 4.333 ( 0.140 -1.501 -11.080) 11.182 5.548 ( 13.044 -7.544 0.379) 15.073 6.652 ( -0.898 8.173 8.436) 11.781 10.330 ( -0.260 -11.286 1.316) 11.365 10.508 ( 9.016 -11.364 -1.272) 14.562 13.580 ( -1.259 -7.020 -2.871) 7.688 14.638 ( -2.624 -12.056 -4.010) 12.973 15.279 ( 2.148 6.653 9.190) 11.547 18.506 ( 0.386 -1.262 11.815) 11.888 20.606 ( -2.240 1.869 -13.225) 13.543 ======================= Grid point 664 (267/781) ======================= q-point: (-0.30 -0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 1.784 1.618 6.366) 6.807 3.082 ( -0.926 -1.298 -3.846) 4.164 4.281 ( 0.888 -2.978 -15.091) 15.408 5.756 ( 20.860 -10.632 -0.836) 23.429 6.765 ( 0.439 10.651 12.278) 16.259 10.022 ( -8.594 -23.744 -6.719) 26.130 10.788 ( 24.836 -2.774 6.203) 25.748 13.452 ( -3.220 -11.026 -1.985) 11.657 14.439 ( -4.471 -13.037 -4.514) 14.502 15.415 ( 3.311 5.850 8.721) 11.011 18.540 ( 1.237 -2.110 14.493) 14.698 20.534 ( -4.236 3.488 -15.849) 16.772 ======================= Grid point 665 (268/781) ======================= q-point: (-0.25 -0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 2.721 1.557 6.896) 7.575 3.037 ( -1.761 -0.986 -3.758) 4.266 4.222 ( 2.427 -4.666 -18.271) 19.013 5.983 ( 18.556 -13.088 -1.919) 22.788 6.965 ( 6.305 10.832 15.544) 19.967 9.604 ( -9.082 -25.058 -8.205) 27.887 11.263 ( 31.286 -2.295 7.009) 32.144 13.228 ( -6.706 -17.325 -2.070) 18.693 14.232 ( -4.020 -11.247 -3.743) 12.516 15.544 ( 2.933 4.611 7.294) 9.114 18.596 ( 2.850 -2.707 16.779) 17.233 20.440 ( -5.955 5.147 -17.936) 19.588 ======================= Grid point 666 (269/781) ======================= q-point: (-0.20 -0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 3.435 1.389 7.285) 8.174 2.983 ( -2.449 -0.507 -3.572) 4.361 4.171 ( 4.619 -6.115 -20.201) 21.606 6.084 ( 9.865 -14.600 -0.835) 17.641 7.250 ( 9.497 7.254 15.818) 19.825 9.231 ( -3.325 -21.685 -9.014) 23.718 11.806 ( 32.355 -2.802 7.939) 33.432 12.878 ( -9.704 -23.168 -4.208) 25.468 14.076 ( -2.163 -8.406 -1.822) 8.869 15.640 ( 1.529 3.285 5.982) 6.994 18.685 ( 5.065 -2.991 18.356) 19.275 20.330 ( -7.436 6.604 -19.462) 21.856 ======================= Grid point 667 (270/781) ======================= q-point: (-0.15 -0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 3.439 1.161 7.393) 8.236 2.927 ( -2.614 0.033 -3.430) 4.313 4.146 ( 7.221 -7.133 -20.549) 22.919 6.034 ( 3.186 -17.908 0.955) 18.214 7.428 ( -1.176 3.013 12.233) 12.653 9.095 ( 12.177 -14.008 -7.065) 19.860 12.229 ( 9.820 -14.216 9.867) 19.897 12.536 ( 8.340 -15.415 -8.006) 19.269 13.983 ( 0.020 -6.434 0.082) 6.435 15.696 ( 0.001 2.326 5.152) 5.653 18.815 ( 7.280 -3.192 19.162) 20.746 20.205 ( -8.732 7.625 -20.451) 23.508 ======================= Grid point 668 (271/781) ======================= q-point: (-0.10 -0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 1.998 0.824 6.657) 6.999 2.881 ( -1.693 0.529 -3.030) 3.511 4.159 ( 9.824 -7.627 -19.189) 22.867 5.864 ( -0.452 -21.604 2.046) 21.705 7.352 ( -12.648 3.288 6.403) 14.552 9.303 ( 24.435 -8.153 -2.486) 25.879 11.893 ( -11.163 -24.955 -2.197) 27.426 12.834 ( 22.464 -5.089 2.169) 23.136 13.961 ( 4.018 -4.575 1.566) 6.287 15.720 ( -1.126 1.955 4.402) 4.946 18.976 ( 8.964 -3.639 19.438) 21.712 20.064 ( -9.851 8.099 -20.904) 24.486 ======================= Grid point 683 (272/781) ======================= q-point: (-0.35 -0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 0.000 1.551 6.454) 6.638 3.088 ( -0.000 -2.128 -4.421) 4.907 4.270 ( -0.000 -3.177 -16.446) 16.750 5.355 ( 0.000 -9.831 1.326) 9.920 6.782 ( 0.000 11.060 10.894) 15.525 10.209 ( 0.000 -26.466 -8.286) 27.733 10.302 ( 0.000 -2.177 8.584) 8.856 13.505 ( -0.000 -8.705 -4.044) 9.598 14.517 ( 0.000 -14.841 -4.340) 15.463 15.352 ( 0.000 5.843 11.036) 12.487 18.524 ( 0.000 -2.086 14.287) 14.438 20.606 ( -0.000 3.309 -16.076) 16.413 ======================= Grid point 684 (273/781) ======================= q-point: (-0.30 -0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 0.897 1.314 7.026) 7.204 3.054 ( 0.312 -2.621 -4.828) 5.502 4.176 ( 0.466 -5.436 -21.208) 21.898 5.358 ( 12.180 -12.320 1.239) 17.369 6.929 ( -0.815 13.213 13.819) 19.137 9.858 ( -5.135 -29.444 -8.166) 30.984 10.439 ( 14.930 -2.842 8.359) 17.346 13.380 ( -2.251 -11.434 -4.035) 12.333 14.332 ( -1.653 -16.732 -4.917) 17.518 15.453 ( 1.783 4.734 11.301) 12.382 18.549 ( 0.404 -2.752 16.472) 16.706 20.578 ( -2.097 4.884 -18.333) 19.088 ======================= Grid point 685 (274/781) ======================= q-point: (-0.25 -0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 1.939 0.848 7.464) 7.758 3.020 ( 0.276 -2.646 -4.700) 5.401 4.063 ( 1.806 -7.565 -24.852) 26.041 5.502 ( 19.273 -15.308 0.630) 24.620 7.098 ( 0.180 14.070 16.488) 21.676 9.437 ( -6.541 -30.544 -8.887) 32.476 10.781 ( 25.207 -2.383 8.493) 26.706 13.163 ( -6.382 -16.699 -4.052) 18.331 14.131 ( -1.043 -15.902 -4.460) 16.549 15.562 ( 2.536 3.299 10.130) 10.951 18.584 ( 1.315 -3.094 18.123) 18.432 20.525 ( -4.016 6.449 -19.891) 21.293 ======================= Grid point 686 (275/781) ======================= q-point: (-0.20 -0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 3.082 0.400 7.821) 8.416 2.983 ( -0.298 -2.341 -4.197) 4.815 3.952 ( 4.020 -9.204 -27.220) 29.014 5.664 ( 18.118 -19.018 0.573) 26.274 7.315 ( 3.460 13.847 18.048) 23.010 9.019 ( -4.609 -28.523 -9.897) 30.541 11.266 ( 31.084 -1.988 8.627) 32.320 12.811 ( -10.613 -22.857 -5.212) 25.734 13.975 ( 0.774 -13.437 -2.628) 13.714 15.655 ( 2.195 1.841 8.525) 8.994 18.643 ( 2.954 -3.045 18.956) 19.425 20.453 ( -5.792 7.757 -20.748) 22.895 ======================= Grid point 687 (276/781) ======================= q-point: (-0.15 -0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 3.911 0.264 8.135) 9.030 2.940 ( -0.956 -1.915 -3.599) 4.187 3.867 ( 6.925 -10.381 -28.087) 30.734 5.710 ( 10.942 -23.238 1.617) 25.736 7.564 ( 2.056 13.985 17.051) 22.148 8.721 ( 5.378 -24.491 -10.047) 27.013 11.804 ( 30.364 -2.617 9.687) 31.979 12.361 ( -10.684 -25.555 -7.956) 28.819 13.874 ( 2.239 -11.942 -0.405) 12.157 15.720 ( 1.240 0.855 7.200) 7.356 18.737 ( 5.012 -2.881 18.929) 19.792 20.360 ( -7.460 8.587 -20.985) 23.869 ======================= Grid point 688 (277/781) ======================= q-point: (-0.10 -0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 3.593 0.515 8.151) 8.922 2.894 ( -1.173 -1.510 -3.095) 3.638 3.826 ( 10.370 -11.146 -27.155) 31.131 5.601 ( 4.638 -25.969 2.785) 26.526 7.669 ( -11.392 13.609 10.042) 20.392 8.739 ( 24.699 -18.996 -4.684) 31.509 11.828 ( -10.894 -24.715 -3.622) 27.251 12.375 ( 27.712 -3.265 3.495) 28.122 13.818 ( 4.525 -11.185 1.568) 12.167 15.758 ( 0.191 0.647 6.090) 6.127 18.864 ( 6.914 -3.061 18.321) 19.820 20.245 ( -8.997 8.845 -20.667) 24.214 ======================= Grid point 704 (278/781) ======================= q-point: (-0.30 -0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 0.000 0.518 7.393) 7.411 3.001 ( -0.000 -4.018 -5.596) 6.889 4.037 ( -0.000 -7.861 -26.548) 27.688 5.132 ( 0.000 -13.919 2.059) 14.070 7.113 ( 0.000 13.525 16.093) 21.022 9.571 ( 0.000 -32.492 -9.473) 33.845 10.310 ( 0.000 -2.463 9.993) 10.292 13.275 ( -0.000 -12.056 -4.951) 13.033 14.147 ( 0.000 -20.072 -5.822) 20.900 15.512 ( 0.000 3.150 12.715) 13.099 18.567 ( 0.000 -3.108 17.894) 18.162 20.594 ( -0.000 6.377 -20.082) 21.070 ======================= Grid point 705 (279/781) ======================= q-point: (-0.25 -0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 1.127 -0.717 7.433) 7.552 2.951 ( 1.372 -4.932 -5.751) 7.699 3.874 ( 0.902 -9.754 -30.368) 31.909 5.092 ( 11.066 -15.809 2.029) 19.403 7.278 ( -0.228 10.544 18.118) 20.964 9.196 ( -3.929 -30.659 -9.783) 32.421 10.443 ( 14.592 -2.344 10.061) 17.878 13.093 ( -5.026 -15.186 -5.324) 16.859 13.933 ( 1.214 -20.823 -5.971) 21.697 15.584 ( 1.412 1.313 12.575) 12.722 18.594 ( 0.451 -3.065 18.564) 18.821 20.586 ( -2.024 7.818 -20.991) 22.491 ======================= Grid point 706 (280/781) ======================= q-point: (-0.20 -0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 2.749 -2.073 7.236) 8.014 2.917 ( 2.162 -5.150 -5.188) 7.623 3.709 ( 2.586 -10.877 -32.651) 34.512 5.177 ( 16.944 -18.603 1.868) 25.232 7.422 ( 2.943 4.025 19.179) 19.816 8.813 ( -6.021 -23.510 -10.073) 26.277 10.794 ( 25.259 -1.700 9.798) 27.146 12.762 ( -11.026 -21.154 -6.332) 24.681 13.770 ( 3.964 -18.481 -4.383) 19.402 15.654 ( 2.121 -0.409 11.425) 11.628 18.635 ( 1.400 -2.600 18.300) 18.536 20.555 ( -4.013 8.953 -21.091) 23.261 ======================= Grid point 707 (281/781) ======================= q-point: (-0.15 -0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 4.795 -2.922 7.164) 9.103 2.890 ( 1.922 -4.970 -4.089) 6.717 3.565 ( 4.920 -11.474 -33.628) 35.871 5.263 ( 15.089 -22.641 2.344) 27.309 7.594 ( 11.503 -3.417 18.538) 22.083 8.494 ( -7.509 -12.382 -10.161) 17.690 11.291 ( 30.847 -0.879 9.667) 32.339 12.298 ( -13.669 -25.454 -7.963) 29.969 13.670 ( 5.126 -16.788 -1.806) 17.646 15.712 ( 2.187 -1.475 9.974) 10.317 18.700 ( 2.905 -2.032 17.167) 17.529 20.500 ( -5.989 9.565 -20.526) 23.424 ======================= Grid point 708 (282/781) ======================= q-point: (-0.10 -0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 6.322 -2.676 7.658) 10.284 2.860 ( 1.276 -4.598 -2.699) 5.482 3.460 ( 8.009 -12.067 -33.580) 36.570 5.236 ( 9.080 -26.011 3.390) 27.758 7.871 ( 19.480 -4.740 17.719) 26.757 8.258 ( -6.519 -5.385 -11.146) 13.990 11.751 ( -2.816 -18.526 1.107) 18.772 11.885 ( 21.323 -7.375 -1.225) 22.596 13.598 ( 5.919 -16.651 0.807) 17.690 15.758 ( 1.806 -1.531 8.449) 8.775 18.792 ( 4.610 -1.930 15.574) 16.356 20.418 ( -7.902 9.572 -19.436) 23.061 ======================= Grid point 725 (283/781) ======================= q-point: (-0.25 -0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 0.000 -3.189 6.418) 7.166 2.858 ( -0.000 -7.318 -6.388) 9.714 3.671 ( -0.000 -10.837 -33.831) 35.524 4.849 ( 0.000 -16.110 2.546) 16.310 7.383 ( 0.000 -1.806 18.713) 18.800 8.940 ( -0.000 -21.325 -9.545) 23.363 10.326 ( 0.000 -2.186 10.951) 11.167 12.985 ( -0.000 -14.356 -5.800) 15.483 13.672 ( 0.000 -24.733 -7.314) 25.792 15.613 ( 0.000 -0.974 13.924) 13.958 18.616 ( 0.000 -2.582 17.982) 18.167 20.624 ( -0.000 9.117 -21.158) 23.038 ======================= Grid point 726 (284/781) ======================= q-point: (-0.20 -0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 1.972 -6.289 4.195) 7.812 2.785 ( 2.993 -8.904 -6.197) 11.253 3.473 ( 1.058 -10.663 -34.703) 36.319 4.781 ( 9.441 -17.027 2.534) 19.634 7.344 ( 3.097 -21.133 16.228) 26.825 8.751 ( -5.117 -3.378 -6.437) 8.889 10.466 ( 14.676 -1.601 10.905) 18.354 12.731 ( -9.912 -18.322 -6.819) 21.919 13.460 ( 6.148 -23.737 -6.647) 25.405 15.645 ( 1.290 -3.055 14.084) 14.469 18.649 ( 0.501 -1.694 16.322) 16.418 20.639 ( -2.111 10.091 -20.466) 22.916 ======================= Grid point 727 (285/781) ======================= q-point: (-0.15 -0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 5.402 -9.154 1.320) 10.711 2.747 ( 4.925 -9.575 -5.214) 11.964 3.302 ( 2.208 -9.479 -33.285) 34.678 4.816 ( 13.492 -19.356 2.747) 23.753 7.223 ( 12.038 -34.437 11.289) 38.187 8.656 ( -10.180 11.613 -1.901) 15.559 10.832 ( 25.541 -0.387 10.470) 27.607 12.278 ( -15.350 -23.768 -8.565) 29.562 13.362 ( 8.708 -20.973 -3.889) 23.040 15.679 ( 2.307 -4.265 13.284) 14.141 18.697 ( 1.362 -0.757 13.814) 13.901 20.627 ( -4.335 10.506 -19.115) 22.239 ======================= Grid point 728 (286/781) ======================= q-point: (-0.10 -0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 10.047 -10.555 -0.531) 14.582 2.726 ( 5.298 -10.045 -3.763) 11.964 3.169 ( 3.076 -7.846 -30.752) 31.886 4.834 ( 11.010 -22.550 3.649) 25.358 7.213 ( 25.737 -35.892 5.938) 44.564 8.598 ( -14.532 18.418 1.670) 23.520 11.350 ( 30.879 1.131 10.142) 32.521 11.748 ( -14.906 -25.100 -10.173) 30.914 13.298 ( 8.238 -20.787 -0.611) 22.368 15.719 ( 2.924 -4.162 11.657) 12.719 18.760 ( 2.537 -0.404 11.083) 11.376 20.584 ( -6.593 10.274 -17.311) 21.182 ======================= Grid point 746 (287/781) ======================= q-point: (-0.20 -0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 0.000 -11.559 -2.215) 11.769 2.630 ( -0.000 -12.539 -6.484) 14.116 3.269 ( -0.000 -9.051 -32.212) 33.459 4.552 ( 0.000 -15.528 2.534) 15.733 7.039 ( 0.000 -41.142 11.375) 42.686 8.843 ( -0.000 13.020 -1.260) 13.081 10.356 ( 0.000 -1.332 11.456) 11.534 12.656 ( -0.000 -15.551 -6.592) 16.890 13.106 ( 0.000 -28.427 -8.520) 29.676 15.636 ( 0.000 -5.510 16.010) 16.932 18.678 ( 0.000 -0.458 13.117) 13.125 20.702 ( -0.000 10.926 -19.004) 21.921 ======================= Grid point 747 (288/781) ======================= q-point: (-0.15 -0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 3.869 -16.203 -10.158) 19.511 2.522 ( 5.132 -14.740 -5.902) 16.686 3.111 ( 0.801 -7.141 -26.498) 27.455 4.477 ( 7.204 -15.332 2.468) 17.119 6.675 ( 6.993 -48.518 7.902) 49.652 8.957 ( -6.072 19.624 1.999) 20.639 10.511 ( 15.130 -0.294 11.245) 18.853 12.301 ( -16.098 -21.159 -8.631) 27.953 12.947 ( 12.241 -24.674 -6.373) 28.271 15.635 ( 1.529 -6.981 16.748) 18.209 18.716 ( 0.459 0.745 9.084) 9.126 20.738 ( -2.380 11.205 -16.953) 20.460 ======================= Grid point 748 (289/781) ======================= q-point: (-0.10 -0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 10.122 -18.753 -15.873) 26.572 2.474 ( 8.059 -15.550 -4.712) 18.138 3.002 ( 1.580 -5.413 -20.330) 21.098 4.476 ( 9.231 -16.906 3.144) 19.517 6.440 ( 19.445 -46.453 4.817) 50.589 9.021 ( -11.114 21.200 3.591) 24.205 10.905 ( 26.249 1.641 10.626) 28.366 11.753 ( -17.631 -24.102 -10.420) 31.628 12.913 ( 11.553 -23.143 -2.579) 25.995 15.653 ( 3.050 -6.801 15.731) 17.407 18.759 ( 1.055 1.269 5.100) 5.360 20.737 ( -4.947 10.798 -14.559) 18.789 ======================= Grid point 767 (290/781) ======================= q-point: (-0.15 -0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -0.000 -20.531 -21.304) 29.587 2.287 ( 0.000 -19.191 -5.607) 19.993 2.971 ( -0.000 -7.238 -18.804) 20.148 4.291 ( 0.000 -12.379 1.768) 12.505 6.130 ( 0.000 -53.623 6.551) 54.022 9.222 ( -0.000 21.601 3.244) 21.843 10.410 ( 0.000 0.023 11.552) 11.552 12.310 ( -0.000 -15.680 -7.306) 17.299 12.479 ( 0.000 -30.436 -9.001) 31.739 15.596 ( 0.000 -8.846 19.613) 21.515 18.745 ( 0.000 2.133 3.515) 4.112 20.823 ( -0.000 11.394 -14.341) 18.317 ======================= Grid point 768 (291/781) ======================= q-point: (-0.10 -0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 5.678 -22.388 -27.629) 36.011 2.140 ( 7.736 -21.194 -4.624) 23.031 2.860 ( 1.862 -8.783 -13.133) 15.908 4.226 ( 4.765 -11.518 1.745) 12.586 5.714 ( 10.822 -51.580 5.102) 52.950 9.387 ( -6.215 21.127 3.635) 22.320 10.588 ( 16.080 1.541 11.180) 19.645 11.811 ( -19.989 -23.312 -10.230) 32.368 12.445 ( 15.810 -23.120 -5.063) 28.463 15.584 ( 2.050 -8.906 20.318) 22.279 18.774 ( 0.239 2.784 -1.782) 3.314 20.871 ( -2.771 10.897 -11.537) 16.110 ======================= Grid point 788 (292/781) ======================= q-point: (-0.10 -0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -0.000 -22.950 -34.250) 41.228 1.822 ( 0.000 -25.498 -3.932) 25.799 2.688 ( -0.000 -16.191 -8.683) 18.372 4.096 ( 0.000 -8.317 0.431) 8.328 5.138 ( 0.000 -49.452 5.127) 49.718 9.649 ( -0.000 19.595 2.999) 19.823 10.493 ( 0.000 1.654 11.259) 11.380 11.839 ( 0.000 -29.513 -8.293) 30.656 11.968 ( -0.000 -14.749 -7.859) 16.712 15.539 ( 0.000 -9.569 23.725) 25.582 18.790 ( -0.000 3.600 -8.371) 9.112 20.970 ( -0.000 10.358 -8.510) 13.406 ======================= Grid point 853 (293/781) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 781 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 0.000 -0.000 21.715) 21.715 0.381 ( 0.000 -0.000 21.715) 21.715 1.569 ( 0.000 -0.000 88.984) 88.984 3.819 ( -0.000 0.000 -6.839) 6.839 3.819 ( -0.000 0.000 -6.839) 6.839 10.439 ( -0.000 0.000 -16.289) 16.289 10.727 ( 0.000 -0.000 0.628) 0.628 10.727 ( -0.000 -0.000 0.628) 0.628 11.352 ( 0.000 0.000 0.238) 0.238 11.352 ( -0.000 -0.000 0.238) 0.238 21.236 ( -0.000 0.000 -4.065) 4.065 22.294 ( 0.000 -0.000 4.977) 4.977 ======================= Grid point 854 (294/781) ======================= q-point: ( 0.15 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 23.697 13.681 12.957) 30.275 1.129 ( 32.799 18.936 17.802) 41.848 1.934 ( 13.120 7.575 78.898) 80.339 3.797 ( 0.915 0.528 -8.694) 8.758 3.916 ( 10.235 5.909 -7.499) 13.997 10.138 ( -9.497 -5.483 -10.781) 15.378 10.832 ( 10.410 6.010 -0.349) 12.025 10.859 ( 3.468 2.002 8.856) 9.719 11.295 ( 1.837 1.061 -7.039) 7.352 13.256 ( 86.101 49.711 -89.759) 133.945 20.502 ( -60.802 -35.104 43.660) 82.677 21.518 ( -15.445 -8.917 32.946) 37.464 ======================= Grid point 855 (295/781) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 24.533 14.164 9.943) 30.022 1.683 ( 12.221 7.056 40.712) 43.088 2.592 ( 22.885 13.213 48.794) 55.490 3.815 ( 3.296 1.903 -10.172) 10.860 4.300 ( 27.775 16.036 -8.040) 33.065 9.858 ( -12.841 -7.414 -13.038) 19.744 10.912 ( -1.029 -0.594 11.963) 12.021 11.169 ( 19.150 11.056 -0.823) 22.128 11.412 ( 10.263 5.925 -9.681) 15.302 14.366 ( 40.616 23.450 -64.646) 79.867 19.598 ( -32.013 -18.483 34.849) 50.802 21.373 ( -8.333 -4.811 21.975) 23.989 ======================= Grid point 856 (296/781) ======================= q-point: ( 0.25 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 20.964 12.104 9.348) 25.949 2.040 ( 10.282 5.937 36.934) 38.795 3.089 ( 10.567 6.101 39.538) 41.378 3.895 ( 6.803 3.928 -11.008) 13.523 5.125 ( 45.350 26.183 -5.151) 52.618 9.483 ( -16.939 -9.779 -13.538) 23.787 10.913 ( -1.151 -0.665 8.921) 9.019 11.659 ( 24.081 13.903 -0.958) 27.823 11.664 ( 13.618 7.862 -6.663) 17.078 14.908 ( 23.756 13.715 -41.787) 49.986 19.138 ( -17.085 -9.864 14.349) 24.394 21.238 ( -9.307 -5.374 20.835) 23.443 ======================= Grid point 857 (297/781) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 14.886 8.594 8.702) 19.266 2.352 ( 9.424 5.441 20.084) 22.842 3.381 ( 6.494 3.749 41.934) 42.599 4.065 ( 11.308 6.529 -10.605) 16.821 6.199 ( 49.546 28.606 -2.911) 57.285 9.027 ( -20.033 -11.566 -12.628) 26.354 10.923 ( 0.233 0.134 5.587) 5.593 11.967 ( 14.503 8.374 -3.766) 17.165 12.219 ( 25.483 14.713 -0.810) 29.436 15.241 ( 15.578 8.994 -28.128) 33.388 18.872 ( -8.959 -5.173 0.150) 10.347 21.079 ( -10.227 -5.904 20.924) 24.026 ======================= Grid point 858 (298/781) ======================= q-point: ( 0.35 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 5.464 3.155 4.347) 7.662 2.636 ( 8.601 4.966 7.147) 12.236 3.669 ( 8.127 4.692 44.556) 45.534 4.335 ( 14.839 8.567 -8.697) 19.216 7.277 ( 46.197 26.672 -4.326) 53.519 8.527 ( -20.926 -12.082 -8.739) 25.695 10.956 ( 1.592 0.919 2.557) 3.149 12.284 ( 14.185 8.190 -1.479) 16.446 12.780 ( 24.294 14.026 -0.489) 28.056 15.456 ( 9.982 5.763 -20.090) 23.161 18.727 ( -2.908 -1.679 -8.760) 9.381 20.903 ( -10.870 -6.276 21.104) 24.554 ======================= Grid point 859 (299/781) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 1.557 0.899 -2.674) 3.223 2.795 ( 4.317 2.492 5.367) 7.324 3.995 ( 9.465 5.464 39.520) 41.003 4.659 ( 15.416 8.901 -6.221) 18.857 7.891 ( -9.844 -5.683 -23.400) 26.015 8.384 ( 29.546 17.059 12.764) 36.427 11.006 ( 2.440 1.408 -0.319) 2.835 12.588 ( 12.914 7.456 0.444) 14.919 13.295 ( 21.502 12.414 0.041) 24.828 15.577 ( 5.471 3.158 -15.346) 16.596 18.686 ( 2.140 1.235 -13.732) 13.953 20.714 ( -11.397 -6.580 21.034) 24.811 ======================= Grid point 860 (300/781) ======================= q-point: ( 0.45 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -0.441 -0.254 -4.343) 4.372 2.877 ( 1.982 1.144 4.089) 4.686 4.302 ( 8.448 4.878 29.648) 31.212 4.971 ( 13.363 7.715 -4.031) 15.948 7.450 ( -18.430 -10.640 -14.303) 25.641 9.177 ( 32.473 18.748 6.489) 38.054 11.058 ( 2.571 1.484 -3.147) 4.326 12.860 ( 10.768 6.217 2.183) 12.624 13.739 ( 17.794 10.273 0.901) 20.567 15.619 ( 2.042 1.179 -12.434) 12.655 18.737 ( 6.015 3.473 -16.044) 17.483 20.514 ( -11.825 -6.827 20.652) 24.758 ======================= Grid point 861 (301/781) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( -0.837 -0.483 -4.271) 4.379 2.917 ( 0.754 0.435 3.353) 3.464 4.530 ( 5.345 3.086 18.182) 19.201 5.224 ( 9.797 5.656 -2.246) 11.533 7.038 ( -14.484 -8.362 -10.000) 19.486 9.826 ( 23.341 13.476 5.719) 27.552 11.097 ( 1.965 1.134 -5.928) 6.347 13.079 ( 7.838 4.525 3.803) 9.817 14.095 ( 13.311 7.685 2.154) 15.521 15.607 ( 0.151 0.087 -10.373) 10.374 18.854 ( 8.542 4.932 -16.949) 19.610 20.305 ( -12.040 -6.951 20.087) 24.429 ======================= Grid point 862 (302/781) ======================= q-point: ( 0.55 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -0.172 -0.099 -3.808) 3.813 2.934 ( 0.049 0.028 2.968) 2.968 4.633 ( 0.191 0.110 6.741) 6.745 5.392 ( 5.509 3.180 -0.751) 6.405 6.765 ( -7.315 -4.223 -5.797) 10.245 10.243 ( 12.039 6.951 5.606) 14.990 11.108 ( 0.779 0.450 -8.565) 8.612 13.229 ( 4.289 2.476 5.276) 7.237 14.341 ( 7.579 4.375 3.659) 9.485 15.580 ( 0.362 0.209 -8.559) 8.569 19.013 ( 9.924 5.730 -17.501) 20.919 20.094 ( -11.909 -6.875 19.649) 23.983 ======================= Grid point 863 (303/781) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 1.089 0.629 -3.398) 3.623 2.938 ( -0.481 -0.278 2.759) 2.815 4.568 ( -6.504 -3.755 -2.461) 7.903 5.465 ( 0.947 0.547 0.536) 1.218 6.691 ( 1.961 1.132 -2.643) 3.480 10.391 ( -0.443 -0.256 5.567) 5.590 11.080 ( -0.685 -0.396 -10.900) 10.928 13.299 ( 0.378 0.218 6.529) 6.543 14.445 ( 0.394 0.227 5.039) 5.059 15.588 ( 2.479 1.431 -6.653) 7.243 19.190 ( 10.321 5.959 -18.676) 22.155 19.890 ( -11.138 -6.430 19.976) 23.758 ======================= Grid point 864 (304/781) ======================= q-point: (-0.35 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 2.486 1.435 -3.237) 4.327 2.928 ( -1.098 -0.634 2.613) 2.904 4.333 ( -12.871 -7.431 -7.405) 16.605 5.438 ( -3.596 -2.076 1.625) 4.459 6.830 ( 10.663 6.156 -2.053) 12.483 10.256 ( -12.856 -7.422 5.579) 15.859 11.014 ( -2.061 -1.190 -12.766) 12.986 13.284 ( -3.567 -2.059 7.492) 8.549 14.388 ( -6.714 -3.876 6.108) 9.870 15.651 ( 4.312 2.489 -4.774) 6.898 19.344 ( 7.265 4.194 -20.492) 22.143 19.733 ( -6.969 -4.023 20.999) 22.488 ======================= Grid point 865 (305/781) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 3.555 2.053 -3.624) 5.476 2.901 ( -2.068 -1.194 2.469) 3.435 3.960 ( -18.032 -10.411 -8.305) 22.416 5.315 ( -7.816 -4.512 2.470) 9.356 7.138 ( 16.964 9.794 -3.580) 19.913 9.857 ( -23.845 -13.767 6.004) 28.181 10.917 ( -3.019 -1.743 -14.046) 14.472 13.185 ( -7.187 -4.150 8.143) 11.627 14.189 ( -12.574 -7.259 6.986) 16.112 15.738 ( 4.233 2.444 -3.335) 5.917 19.329 ( -4.045 -2.336 -10.195) 11.214 19.768 ( 5.534 3.195 9.906) 11.789 ======================= Grid point 866 (306/781) ======================= q-point: (-0.25 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 3.777 2.181 -5.840) 7.289 2.845 ( -3.734 -2.156 2.323) 4.897 3.487 ( -22.112 -12.766 -4.877) 25.994 5.107 ( -11.234 -6.486 2.991) 13.313 7.543 ( 19.437 11.222 -7.110) 23.543 9.245 ( -31.545 -18.213 7.995) 37.292 10.802 ( -3.349 -1.934 -14.694) 15.194 13.013 ( -10.163 -5.868 8.515) 14.499 13.871 ( -17.482 -10.093 7.637) 21.583 15.810 ( 2.651 1.531 -2.407) 3.894 19.174 ( -6.981 -4.031 -4.750) 9.357 19.970 ( 9.851 5.688 3.597) 11.930 ======================= Grid point 867 (307/781) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( -6.564 -3.789 2.242) 7.904 2.753 ( -3.740 -2.159 -21.459) 21.889 2.988 ( -18.574 -10.724 14.502) 25.890 4.838 ( -13.146 -7.590 3.077) 15.488 7.827 ( -0.712 -0.411 -15.109) 15.131 8.628 ( -16.891 -9.752 14.419) 24.255 10.686 ( -2.991 -1.727 -14.726) 15.126 12.784 ( -12.264 -7.081 8.667) 16.603 13.453 ( -21.628 -12.487 8.060) 26.242 15.838 ( 0.347 0.201 -2.086) 2.124 19.007 ( -6.348 -3.665 -5.247) 9.015 20.215 ( 10.878 6.280 3.333) 12.996 ======================= Grid point 868 (308/781) ======================= q-point: (-0.15 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -24.928 -14.392 -8.672) 30.062 2.551 ( -10.981 -6.340 2.384) 12.902 2.895 ( -1.374 -0.793 9.354) 9.487 4.550 ( -12.842 -7.415 2.572) 15.050 7.206 ( -41.057 -23.704 -7.466) 47.993 8.787 ( 18.054 10.424 5.009) 21.441 10.587 ( -1.994 -1.151 -14.179) 14.364 12.520 ( -13.380 -7.725 8.643) 17.703 12.954 ( -24.753 -14.291 8.345) 29.776 15.810 ( -2.115 -1.221 -3.212) 4.035 18.866 ( -4.500 -2.598 -6.309) 8.174 20.473 ( 10.951 6.323 4.730) 13.501 ======================= Grid point 869 (309/781) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -25.364 -14.644 8.473) 30.489 2.250 ( -16.657 -9.617 2.922) 19.455 2.860 ( -4.636 -2.677 7.075) 8.872 4.292 ( -10.413 -6.012 1.366) 12.101 6.180 ( -46.934 -27.098 -4.726) 54.401 9.236 ( 19.885 11.481 -0.062) 22.962 10.519 ( -0.471 -0.272 -13.048) 13.059 12.241 ( -13.521 -7.806 8.416) 17.736 12.402 ( -26.315 -15.193 8.486) 31.549 15.720 ( -4.562 -2.634 -8.338) 9.863 18.778 ( -1.716 -0.991 -3.948) 4.417 20.730 ( 10.339 5.969 6.546) 13.615 ======================= Grid point 874 (310/781) ======================= q-point: ( 0.15 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 0.000 26.555 14.212) 30.119 1.187 ( 0.000 42.033 14.656) 44.515 2.159 ( 0.000 9.900 82.717) 83.307 3.817 ( -0.000 3.296 -8.086) 8.732 3.847 ( -0.000 9.749 -10.119) 14.051 10.104 ( -0.000 -10.998 -13.049) 17.066 10.564 ( -0.000 -7.805 -3.349) 8.493 10.998 ( 0.000 17.144 7.866) 18.863 11.542 ( -0.000 11.330 3.483) 11.853 12.928 ( -0.000 97.138 -83.155) 127.869 20.592 ( 0.000 -64.135 28.993) 70.384 21.616 ( 0.000 -22.267 35.099) 41.566 ======================= Grid point 875 (311/781) ======================= q-point: ( 0.20 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 14.058 25.503 11.840) 31.436 1.695 ( 10.325 19.434 27.039) 34.862 2.619 ( 11.456 17.697 66.215) 69.490 3.808 ( -0.961 5.914 -10.045) 11.696 4.085 ( 15.006 19.115 -10.485) 26.467 9.893 ( -6.848 -11.192 -15.346) 20.190 10.675 ( 21.147 -9.411 -4.027) 23.495 11.126 ( -9.067 16.101 10.582) 21.293 11.617 ( -3.137 23.180 -1.459) 23.437 13.851 ( 33.853 50.809 -69.990) 92.877 19.889 ( -21.912 -42.384 32.186) 57.554 21.495 ( -5.523 -9.694 25.492) 27.827 ======================= Grid point 876 (312/781) ======================= q-point: ( 0.25 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 16.063 21.818 10.902) 29.205 2.049 ( 7.841 6.879 32.904) 34.517 3.127 ( 9.360 10.529 50.311) 52.246 3.854 ( 2.003 8.630 -11.194) 14.276 4.720 ( 33.339 32.410 -7.788) 47.144 9.572 ( -11.746 -12.880 -16.043) 23.690 11.005 ( 28.386 -9.703 -5.857) 30.565 11.111 ( -9.933 12.950 10.160) 19.225 11.895 ( 3.698 30.484 -1.027) 30.725 14.542 ( 25.404 26.790 -48.958) 61.318 19.323 ( -16.579 -23.221 17.701) 33.577 21.375 ( -7.026 -8.105 22.485) 24.912 ======================= Grid point 877 (313/781) ======================= q-point: ( 0.30 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 11.663 13.993 11.502) 21.544 2.320 ( 8.792 6.034 21.578) 24.069 3.454 ( 5.356 5.598 46.198) 46.843 3.989 ( 5.812 12.820 -11.174) 17.972 5.703 ( 43.522 34.943 -4.143) 55.968 9.161 ( -15.594 -14.231 -15.135) 25.977 11.067 ( -8.106 11.341 2.788) 14.217 11.445 ( 31.159 -7.668 -0.854) 32.100 12.290 ( 7.001 31.270 0.246) 32.045 14.987 ( 17.769 16.361 -33.557) 41.346 18.956 ( -10.207 -13.308 3.812) 17.200 21.231 ( -8.366 -7.956 21.566) 24.462 ======================= Grid point 878 (314/781) ======================= q-point: ( 0.35 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 6.403 1.035 9.083) 11.162 2.611 ( 7.056 10.572 8.785) 15.451 3.731 ( 5.942 5.215 46.308) 46.978 4.235 ( 9.328 17.289 -9.403) 21.779 6.767 ( 44.773 30.586 -4.242) 54.388 8.697 ( -17.762 -14.103 -11.767) 25.551 11.063 ( -6.148 11.660 0.383) 13.187 11.893 ( 29.027 -4.962 0.049) 29.448 12.726 ( 10.274 27.583 0.831) 29.446 15.283 ( 12.043 10.518 -23.733) 28.616 18.730 ( -4.654 -7.069 -5.923) 10.330 21.067 ( -9.346 -7.902 21.121) 24.411 ======================= Grid point 879 (315/781) ======================= q-point: ( 0.40 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 3.605 -0.940 0.726) 3.796 2.793 ( 2.956 5.904 6.255) 9.096 4.026 ( 7.245 5.311 42.464) 43.404 4.564 ( 10.445 19.639 -6.806) 23.262 7.674 ( 29.443 14.768 -17.780) 37.432 8.310 ( -6.094 -3.148 4.612) 8.265 11.086 ( -4.523 11.787 -2.235) 12.822 12.315 ( 23.801 -0.762 1.591) 23.866 13.166 ( 13.132 21.160 1.126) 24.929 15.466 ( 7.265 6.430 -17.753) 20.231 18.623 ( 0.436 -2.421 -11.736) 11.991 20.887 ( -10.128 -7.890 20.663) 24.326 ======================= Grid point 880 (316/781) ======================= q-point: ( 0.45 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 1.231 -1.440 -3.125) 3.654 2.881 ( 1.076 2.654 4.872) 5.652 4.309 ( 6.984 4.366 33.871) 34.858 4.906 ( 8.903 19.459 -4.453) 21.858 7.574 ( -14.116 -11.550 -20.475) 27.420 8.822 ( 32.828 18.917 10.407) 39.291 11.122 ( -3.697 11.703 -4.824) 13.186 12.683 ( 17.665 3.017 3.170) 18.199 13.578 ( 14.624 14.258 1.636) 20.489 15.555 ( 3.376 3.373 -14.188) 14.969 18.624 ( 4.744 1.058 -14.574) 15.364 20.693 ( -10.794 -7.937 20.051) 24.115 ======================= Grid point 881 (317/781) ======================= q-point: ( 0.50 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -0.026 -1.099 -4.337) 4.475 2.921 ( 0.431 0.674 4.101) 4.178 4.529 ( 4.980 2.381 22.756) 23.416 5.202 ( 5.711 17.634 -2.552) 18.711 7.166 ( -14.572 -9.374 -14.149) 22.370 9.535 ( 28.385 13.392 7.863) 32.356 11.155 ( -3.739 11.347 -7.344) 14.024 12.983 ( 11.681 5.165 4.602) 13.576 13.938 ( 14.202 8.241 2.652) 16.633 15.572 ( 0.806 1.342 -11.940) 12.043 18.710 ( 7.794 3.392 -15.662) 17.820 20.487 ( -11.258 -7.980 19.345) 23.763 ======================= Grid point 882 (318/781) ======================= q-point: ( 0.55 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -0.163 -0.315 -4.490) 4.504 2.938 ( 0.225 -0.473 3.689) 3.726 4.644 ( 1.287 -0.389 10.945) 11.027 5.419 ( 1.753 14.914 -0.979) 15.049 6.850 ( -10.147 -4.717 -8.938) 14.321 10.059 ( 19.312 6.280 7.115) 21.518 11.169 ( -4.552 10.767 -9.709) 15.196 13.201 ( 6.191 5.397 5.834) 10.074 14.223 ( 11.490 3.172 4.136) 12.617 15.552 ( 0.091 0.580 -10.260) 10.277 18.851 ( 9.536 4.752 -16.156) 19.353 20.274 ( -11.359 -7.926 18.777) 23.333 ======================= Grid point 883 (319/781) ======================= q-point: ( 0.60 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 0.547 0.646 -4.384) 4.465 2.943 ( 0.058 -1.057 3.490) 3.647 4.619 ( -4.076 -3.581 0.764) 5.479 5.543 ( -2.469 11.940 0.344) 12.197 6.698 ( -2.939 0.736 -4.622) 5.526 10.336 ( 8.051 -1.234 6.698) 10.545 11.151 ( -5.884 10.095 -11.778) 16.590 13.328 ( 1.233 3.990 6.846) 8.020 14.397 ( 6.167 -1.475 5.692) 8.521 15.543 ( 1.562 1.185 -8.660) 8.879 19.020 ( 10.203 5.427 -17.014) 20.567 20.064 ( -10.887 -7.675 18.807) 23.047 ======================= Grid point 884 (320/781) ======================= q-point: (-0.35 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 1.725 1.558 -4.441) 5.013 2.940 ( -0.329 -1.269 3.400) 3.644 4.443 ( -10.128 -6.439 -5.042) 13.018 5.570 ( -6.894 9.271 1.353) 11.632 6.740 ( 5.481 5.364 -2.854) 8.183 10.340 ( -4.182 -8.495 6.346) 11.398 11.098 ( -7.377 9.511 -13.392) 18.006 13.359 ( -3.159 1.333 7.627) 8.362 14.427 ( -0.850 -5.428 6.794) 8.737 15.585 ( 4.015 2.270 -6.896) 8.297 19.189 ( 9.330 5.304 -19.151) 21.953 19.878 ( -8.994 -6.822 20.194) 23.135 ======================= Grid point 885 (321/781) ======================= q-point: (-0.30 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 2.895 2.204 -5.074) 6.243 2.926 ( -1.153 -1.300 3.372) 3.793 4.134 ( -15.676 -8.536 -5.857) 18.786 5.498 ( -11.427 6.846 2.041) 13.476 6.958 ( 13.129 8.442 -3.725) 16.048 10.073 ( -15.948 -14.743 6.252) 22.600 11.012 ( -8.670 9.196 -14.449) 19.197 13.292 ( -6.810 -2.323 8.189) 10.901 14.310 ( -7.580 -7.795 7.421) 13.164 15.671 ( 5.046 2.575 -5.324) 7.774 19.288 ( 3.204 2.313 -20.112) 20.497 19.785 ( -1.785 -3.163 20.451) 20.771 ======================= Grid point 886 (322/781) ======================= q-point: (-0.25 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 3.397 2.318 -7.275) 8.357 2.892 ( -2.650 -1.311 3.461) 4.552 3.726 ( -20.268 -9.944 -1.981) 22.663 5.332 ( -15.458 4.447 2.403) 16.263 7.304 ( 18.271 10.029 -6.380) 21.797 9.570 ( -25.737 -19.290 7.046) 32.927 10.905 ( -9.474 9.270 -14.913) 19.952 13.134 ( -9.428 -6.912 8.588) 14.506 14.073 ( -13.616 -8.402 7.702) 17.757 15.760 ( 4.127 2.031 -4.314) 6.306 19.216 ( -4.566 -2.138 -13.472) 14.385 19.886 ( 7.225 1.965 13.133) 15.117 ======================= Grid point 887 (323/781) ======================= q-point: (-0.20 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 0.664 0.622 -14.284) 14.313 2.827 ( -4.929 -0.980 3.418) 6.077 3.271 ( -21.918 -10.023 9.682) 25.974 5.085 ( -18.197 2.180 2.327) 18.474 7.681 ( 15.643 8.429 -11.890) 21.381 8.920 ( -28.407 -20.055 10.621) 36.359 10.792 ( -9.634 9.803 -14.786) 20.188 12.895 ( -10.751 -12.482 8.921) 18.735 13.740 ( -19.290 -7.207 7.610) 21.954 15.815 ( 1.966 1.033 -3.997) 4.573 19.058 ( -6.261 -3.171 -10.388) 12.537 20.102 ( 10.457 3.792 9.527) 14.645 ======================= Grid point 888 (324/781) ======================= q-point: (-0.15 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( -16.727 -6.825 -15.532) 23.825 2.705 ( -10.103 -1.311 2.175) 10.417 2.980 ( -7.522 -3.770 20.573) 22.227 4.788 ( -18.767 0.324 1.664) 18.843 7.599 ( -27.366 -11.949 -12.841) 32.505 8.610 ( 8.676 -1.228 9.589) 12.990 10.691 ( -9.150 10.838 -14.102) 20.002 12.586 ( -10.797 -18.950 9.294) 23.708 13.336 ( -24.400 -4.166 7.165) 25.770 15.817 ( -0.839 -0.158 -4.978) 5.050 18.900 ( -5.263 -2.501 -9.721) 11.333 20.354 ( 11.466 4.150 9.249) 15.305 ======================= Grid point 889 (325/781) ======================= q-point: (-0.10 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -24.623 -8.588 4.406) 26.447 2.480 ( -15.589 -2.776 3.623) 16.244 2.936 ( -3.552 -1.689 13.723) 14.276 4.486 ( -16.587 -0.902 0.293) 16.614 6.736 ( -46.771 -19.318 -6.110) 50.971 8.964 ( 22.084 5.893 0.513) 22.862 10.618 ( -8.124 12.430 -12.901) 19.670 12.220 ( -10.213 -25.388 9.766) 29.056 12.891 ( -27.876 -0.107 6.353) 28.591 15.749 ( -4.116 -1.408 -9.126) 10.110 18.789 ( -2.618 -0.860 -7.244) 7.751 20.616 ( 11.522 3.849 10.152) 15.832 ======================= Grid point 895 (326/781) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.000 27.984 12.022) 30.457 1.886 ( 0.000 17.214 26.688) 31.758 2.905 ( 0.000 18.657 65.303) 67.916 3.855 ( -0.000 5.984 -9.497) 11.225 4.152 ( -0.000 31.024 -12.616) 33.491 9.782 ( -0.000 -13.543 -17.060) 21.781 10.405 ( -0.000 -6.023 -4.271) 7.384 11.476 ( 0.000 25.762 9.523) 27.466 11.811 ( -0.000 13.852 3.835) 14.373 13.907 ( -0.000 55.220 -65.737) 85.852 19.707 ( 0.000 -43.781 25.415) 50.623 21.510 ( 0.000 -11.125 24.822) 27.201 ======================= Grid point 896 (327/781) ======================= q-point: ( 0.25 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 9.936 25.217 11.862) 29.586 2.117 ( 3.083 7.523 27.631) 28.802 3.283 ( 3.946 11.888 56.531) 57.902 3.897 ( 0.624 9.341 -10.615) 14.154 4.627 ( 16.932 42.893 -9.830) 47.150 9.537 ( -6.212 -15.050 -17.785) 24.112 10.499 ( 18.072 -6.108 -4.498) 19.600 11.559 ( -17.067 21.480 8.308) 28.665 12.078 ( 7.670 23.758 3.107) 25.158 14.355 ( 15.368 37.888 -51.029) 65.388 19.313 ( -8.091 -31.218 15.503) 35.782 21.442 ( -3.614 -10.394 23.060) 25.551 ======================= Grid point 897 (328/781) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 7.906 15.390 13.051) 21.672 2.305 ( 7.328 7.074 19.634) 22.119 3.584 ( 3.112 6.921 50.005) 50.578 4.019 ( 4.068 14.892 -10.474) 18.655 5.440 ( 29.929 43.800 -5.758) 53.361 9.189 ( -10.800 -15.844 -16.842) 25.521 10.819 ( 27.241 -5.996 -5.162) 28.367 11.492 ( -15.922 20.233 6.587) 26.576 12.470 ( 7.263 27.643 2.773) 28.716 14.794 ( 15.509 24.241 -36.555) 46.524 18.958 ( -7.550 -20.082 4.478) 21.916 21.328 ( -5.832 -9.879 21.842) 24.672 ======================= Grid point 898 (329/781) ======================= q-point: ( 0.35 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 4.473 0.093 11.237) 12.095 2.638 ( 6.895 12.891 9.926) 17.670 3.840 ( 3.711 5.910 46.598) 47.118 4.268 ( 7.467 21.429 -8.184) 24.123 6.384 ( 36.117 36.293 -5.387) 51.484 8.784 ( -13.718 -14.722 -13.375) 24.162 11.199 ( 18.957 0.430 -8.484) 20.773 11.512 ( -0.873 14.959 8.236) 17.098 12.861 ( 6.889 26.408 2.348) 27.393 15.130 ( 12.166 15.737 -25.923) 32.675 18.700 ( -4.420 -11.989 -4.460) 13.533 21.185 ( -7.343 -9.463 20.945) 24.128 ======================= Grid point 899 (330/781) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 3.722 -1.657 3.625) 5.453 2.834 ( 2.401 7.124 6.880) 10.191 4.101 ( 4.971 5.396 42.928) 43.551 4.619 ( 8.487 25.965 -5.842) 27.934 7.256 ( 33.102 21.117 -13.019) 41.367 8.417 ( -10.780 -6.627 -2.567) 12.912 11.330 ( -5.509 15.791 -7.131) 18.182 11.866 ( 25.610 1.865 5.650) 26.292 13.224 ( 7.154 22.331 2.031) 23.537 15.361 ( 8.164 9.986 -18.903) 22.884 18.551 ( -0.397 -5.866 -10.312) 11.871 21.021 ( -8.487 -9.145 20.093) 23.651 ======================= Grid point 900 (331/781) ======================= q-point: ( 0.45 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 2.477 -2.238 -1.033) 3.495 2.917 ( 0.017 3.354 4.938) 5.969 4.350 ( 5.104 3.874 35.897) 36.464 4.998 ( 6.797 27.275 -3.877) 28.376 7.540 ( -0.625 -8.765 -25.827) 27.281 8.565 ( 20.968 17.470 13.549) 30.470 11.359 ( -7.734 18.382 -7.577) 21.334 12.341 ( 25.632 2.175 5.079) 26.220 13.547 ( 8.048 16.551 2.090) 18.523 15.492 ( 4.277 5.811 -14.597) 16.283 18.511 ( 3.695 -1.252 -13.336) 13.895 20.839 ( -9.444 -8.974 19.172) 23.179 ======================= Grid point 901 (332/781) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 1.361 -1.839 -3.441) 4.132 2.943 ( -0.679 0.929 4.157) 4.314 4.544 ( 3.851 1.493 25.810) 26.139 5.338 ( 3.442 25.899 -2.142) 26.215 7.245 ( -10.751 -9.478 -18.945) 23.756 9.211 ( 27.921 14.298 10.574) 33.103 11.384 ( -8.004 18.893 -9.163) 22.472 12.779 ( 20.128 4.581 5.669) 21.407 13.830 ( 9.405 9.912 2.814) 13.951 15.540 ( 1.235 2.892 -12.070) 12.473 18.566 ( 7.018 1.926 -14.436) 16.167 20.641 ( -10.199 -8.912 18.214) 22.698 ======================= Grid point 902 (333/781) ======================= q-point: ( 0.55 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 0.728 -0.805 -4.536) 4.664 2.945 ( -0.504 -0.708 3.971) 4.065 4.649 ( 1.350 -1.273 14.343) 14.463 5.595 ( -0.463 22.495 -0.564) 22.507 6.953 ( -10.140 -3.377 -12.705) 16.602 9.777 ( 23.220 6.219 8.857) 25.618 11.399 ( -8.636 18.839 -10.884) 23.409 13.128 ( 12.464 6.637 6.256) 15.445 14.072 ( 10.387 3.184 4.342) 11.699 15.532 ( -0.245 1.305 -10.515) 10.599 18.690 ( 9.117 3.856 -14.718) 17.738 20.430 ( -10.600 -8.856 17.400) 22.216 ======================= Grid point 903 (334/781) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 0.717 0.455 -5.012) 5.083 2.940 ( -0.047 -1.687 4.020) 4.360 4.643 ( -2.374 -3.870 3.851) 5.953 5.755 ( -4.010 18.079 0.900) 18.540 6.781 ( -6.669 3.726 -7.622) 10.792 10.145 ( 14.747 -1.991 7.865) 16.831 11.393 ( -9.816 18.566 -12.420) 24.398 13.358 ( 4.615 6.845 6.599) 10.569 14.258 ( 9.225 -2.764 6.322) 11.520 15.512 ( 0.353 1.170 -9.332) 9.412 18.853 ( 10.050 4.920 -15.156) 18.839 20.217 ( -10.454 -8.708 17.086) 21.841 ======================= Grid point 904 (335/781) ======================= q-point: (-0.35 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 1.270 1.585 -5.366) 5.737 2.935 ( 0.243 -2.041 4.143) 4.625 4.517 ( -7.110 -5.779 -2.775) 9.573 5.823 ( -7.183 14.792 1.927) 16.556 6.756 ( -1.516 8.663 -4.803) 10.020 10.271 ( 4.106 -9.536 7.078) 12.565 11.356 ( -11.317 18.271 -13.573) 25.419 13.454 ( -1.978 4.442 6.900) 8.441 14.352 ( 4.849 -7.039 7.812) 11.579 15.526 ( 2.724 2.012 -8.019) 8.704 19.027 ( 9.829 5.392 -16.654) 20.076 20.016 ( -9.366 -8.318 17.929) 21.871 ======================= Grid point 905 (336/781) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 2.119 2.339 -6.057) 6.830 2.931 ( 0.030 -1.909 4.294) 4.699 4.280 ( -12.243 -6.898 -4.195) 14.665 5.810 ( -11.489 13.268 2.254) 17.695 6.868 ( 5.529 10.304 -4.535) 12.543 10.140 ( -7.299 -15.688 6.488) 18.480 11.289 ( -12.784 18.130 -14.234) 26.358 13.419 ( -6.966 -0.411 7.381) 10.157 14.327 ( -1.265 -8.754 8.157) 12.032 15.594 ( 4.862 2.604 -6.497) 8.522 19.173 ( 7.050 4.715 -19.777) 21.519 19.863 ( -5.687 -6.906 20.459) 22.330 ======================= Grid point 906 (337/781) ======================= q-point: (-0.25 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 2.700 2.552 -7.765) 8.608 2.921 ( -0.880 -1.503 4.520) 4.844 3.954 ( -17.061 -7.410 -0.798) 18.618 5.701 ( -16.782 11.749 2.183) 20.602 7.112 ( 12.976 10.394 -6.195) 17.743 9.769 ( -17.980 -19.849 6.469) 27.552 11.198 ( -13.899 18.285 -14.404) 27.111 13.258 ( -10.429 -7.053 8.076) 14.958 14.194 ( -7.378 -7.939 7.600) 13.238 15.688 ( 5.089 2.426 -5.297) 7.736 19.204 ( -0.370 1.266 -19.918) 19.962 19.846 ( 2.763 -2.765 20.084) 20.461 ======================= Grid point 907 (338/781) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 1.667 1.942 -11.685) 11.962 2.895 ( -2.517 -0.887 4.801) 5.493 3.572 ( -20.382 -7.248 7.789) 22.992 5.488 ( -21.212 9.267 1.777) 23.216 7.451 ( 17.214 9.939 -9.598) 22.073 9.209 ( -25.963 -21.599 7.872) 34.679 11.097 ( -14.415 18.830 -14.111) 27.595 12.983 ( -12.467 -14.370 8.865) 20.988 13.975 ( -13.153 -5.629 6.537) 15.730 15.769 ( 3.543 1.757 -4.803) 6.222 19.094 ( -5.213 -1.461 -15.904) 16.800 19.996 ( 8.901 0.715 15.737) 18.094 ======================= Grid point 908 (339/781) ======================= q-point: (-0.15 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -5.395 -0.277 -16.028) 16.914 2.841 ( -5.348 0.067 3.275) 6.272 3.216 ( -17.494 -5.624 21.917) 28.601 5.186 ( -23.557 6.047 0.857) 24.336 7.730 ( 3.672 5.413 -15.937) 17.227 8.618 ( -17.435 -17.232 12.237) 27.399 11.002 ( -14.204 19.825 -13.369) 27.812 12.619 ( -13.263 -20.988 9.580) 26.612 13.683 ( -18.434 -3.072 5.268) 19.416 15.805 ( 0.836 0.852 -5.442) 5.571 18.938 ( -5.691 -1.624 -13.673) 14.899 20.225 ( 11.203 1.841 13.864) 17.919 ======================= Grid point 909 (340/781) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -17.837 -2.166 -5.312) 18.736 2.710 ( -11.458 -0.154 3.241) 11.909 3.049 ( -6.893 -2.552 24.092) 25.188 4.832 ( -23.003 2.610 -0.759) 23.162 7.312 ( -39.318 -8.974 -8.882) 41.296 8.634 ( 19.444 -0.862 3.067) 19.703 10.932 ( -13.273 21.355 -12.203) 27.949 12.196 ( -13.066 -25.663 10.116) 30.523 13.327 ( -22.815 -1.391 3.975) 23.200 15.775 ( -2.730 -0.113 -8.379) 8.813 18.809 ( -3.711 -0.348 -11.206) 11.809 20.480 ( 11.944 1.809 13.814) 18.351 ======================= Grid point 916 (341/781) ======================= q-point: ( 0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 0.000 24.422 12.050) 27.233 2.228 ( 0.000 4.238 23.612) 23.990 3.525 ( 0.000 9.320 56.039) 56.809 3.946 ( -0.000 9.686 -10.898) 14.580 4.930 ( -0.000 52.277 -8.868) 53.024 9.385 ( -0.000 -16.088 -18.469) 24.493 10.284 ( -0.000 -3.852 -4.037) 5.580 12.074 ( -0.000 29.408 8.825) 30.704 12.118 ( -0.000 15.343 3.263) 15.686 14.462 ( -0.000 37.207 -45.886) 59.075 19.113 ( 0.000 -28.930 9.755) 30.530 21.432 ( 0.000 -11.212 22.509) 25.147 ======================= Grid point 917 (342/781) ======================= q-point: ( 0.30 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 1.531 1.199 18.030) 18.135 2.363 ( 6.918 19.846 11.883) 24.144 3.770 ( 0.693 6.986 51.759) 52.233 4.057 ( 4.258 13.707 -9.963) 17.472 5.533 ( 12.608 51.639 -6.905) 53.602 9.124 ( -5.809 -15.825 -17.361) 24.199 10.383 ( 16.281 -3.360 -3.883) 17.072 12.022 ( -18.666 21.667 4.719) 28.985 12.578 ( 11.523 24.986 5.047) 27.975 14.744 ( 8.117 28.357 -36.046) 46.576 18.850 ( -3.162 -21.699 2.378) 22.057 21.362 ( -2.863 -11.084 21.538) 24.391 ======================= Grid point 918 (343/781) ======================= q-point: ( 0.35 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 2.364 -1.013 11.173) 11.466 2.682 ( 6.484 13.305 10.477) 18.134 3.991 ( 1.473 6.334 44.929) 45.397 4.313 ( 9.212 19.905 -5.250) 22.553 6.264 ( 20.925 42.086 -7.526) 47.600 8.803 ( -9.492 -12.909 -13.453) 20.922 10.707 ( 26.070 -2.868 -4.043) 26.538 11.947 ( -16.911 22.964 3.439) 28.725 12.994 ( 7.968 24.154 3.626) 25.691 15.040 ( 9.600 19.415 -26.482) 34.211 18.620 ( -2.811 -14.126 -4.494) 15.087 21.251 ( -4.958 -10.608 20.465) 23.578 ======================= Grid point 919 (344/781) ======================= q-point: ( 0.40 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 2.698 -2.248 5.168) 6.249 2.883 ( 2.599 7.199 7.435) 10.670 4.212 ( 2.832 5.389 41.423) 41.868 4.702 ( 11.175 25.784 -3.530) 28.322 6.949 ( 23.460 23.614 -13.921) 36.080 8.524 ( -8.908 -2.969 -3.909) 10.171 11.141 ( 27.644 -0.690 -5.562) 28.206 11.936 ( -11.338 22.959 3.702) 25.872 13.338 ( 5.727 21.083 2.469) 21.987 15.278 ( 8.003 12.514 -19.123) 24.215 18.464 ( -0.558 -7.607 -9.479) 12.166 21.111 ( -6.547 -10.105 19.313) 22.759 ======================= Grid point 920 (345/781) ======================= q-point: ( 0.45 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 2.553 -2.746 0.888) 3.853 2.968 ( -0.263 3.373 4.888) 5.944 4.420 ( 3.149 3.192 36.016) 36.294 5.139 ( 9.290 29.023 -2.417) 30.569 7.300 ( 10.896 -3.320 -25.052) 27.520 8.550 ( 5.496 16.361 10.585) 20.247 11.517 ( 12.675 8.490 -10.070) 18.279 12.084 ( 6.201 16.108 7.166) 18.689 13.613 ( 4.573 16.570 1.911) 17.296 15.437 ( 5.076 7.455 -14.140) 16.772 18.401 ( 2.653 -2.476 -12.237) 12.764 20.948 ( -7.857 -9.749 18.071) 21.985 ======================= Grid point 921 (346/781) ======================= q-point: ( 0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 2.206 -2.458 -1.847) 3.784 2.984 ( -1.526 1.014 3.685) 4.116 4.578 ( 2.364 0.348 27.199) 27.304 5.539 ( 4.816 28.573 -0.989) 28.993 7.206 ( -1.874 -8.833 -22.983) 24.693 8.990 ( 18.741 17.101 12.450) 28.261 11.674 ( -3.943 18.846 -11.872) 22.620 12.477 ( 21.130 8.105 8.041) 24.017 13.828 ( 4.327 11.137 2.213) 12.151 15.514 ( 1.968 3.904 -11.120) 11.949 18.430 ( 5.894 1.147 -13.196) 14.498 20.763 ( -8.943 -9.568 16.794) 21.297 ======================= Grid point 922 (347/781) ======================= q-point: ( 0.55 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 1.865 -1.464 -3.555) 4.274 2.967 ( -1.654 -0.680 3.475) 3.908 4.659 ( 0.713 -2.492 16.523) 16.725 5.834 ( -0.202 23.668 0.481) 23.674 7.031 ( -5.362 -0.136 -16.687) 17.528 9.490 ( 20.740 7.833 10.656) 24.598 11.727 ( -8.772 22.193 -12.425) 26.905 12.932 ( 20.229 7.041 7.553) 22.712 13.991 ( 4.886 4.824 3.567) 7.737 15.523 ( -0.215 1.780 -9.444) 9.612 18.536 ( 8.346 3.394 -13.205) 15.986 20.560 ( -9.693 -9.479 15.641) 20.699 ======================= Grid point 923 (348/781) ======================= q-point: ( 0.60 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 1.624 -0.029 -4.692) 4.965 2.941 ( -1.022 -1.928 3.800) 4.382 4.650 ( -1.613 -4.583 6.366) 8.008 5.994 ( -3.475 15.553 1.868) 16.045 6.947 ( -6.653 11.875 -11.061) 17.539 9.872 ( 17.211 -1.966 9.153) 19.592 11.744 ( -11.018 23.321 -13.063) 28.912 13.309 ( 12.794 7.801 6.681) 16.407 14.110 ( 6.180 -2.348 6.038) 8.953 15.500 ( -0.628 1.105 -8.490) 8.584 18.691 ( 9.685 4.668 -13.165) 16.997 20.347 ( -9.920 -9.380 14.903) 20.211 ======================= Grid point 924 (349/781) ======================= q-point: ( 0.65 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 1.545 1.428 -5.573) 5.957 2.921 ( -0.043 -2.645 4.309) 5.056 4.555 ( -4.657 -5.518 -0.583) 7.244 6.054 ( -4.128 9.960 2.938) 11.174 6.955 ( -7.914 19.472 -7.532) 22.328 10.070 ( 10.195 -10.467 7.927) 16.623 11.732 ( -12.951 23.765 -13.524) 30.256 13.531 ( 2.480 6.979 5.418) 9.177 14.191 ( 7.128 -8.510 8.784) 14.156 15.489 ( 0.985 1.620 -7.660) 7.891 18.868 ( 9.918 5.404 -13.916) 17.923 20.136 ( -9.362 -9.182 15.103) 20.002 ======================= Grid point 925 (350/781) ======================= q-point: (-0.30 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 1.699 2.475 -6.467) 7.130 2.914 ( 0.713 -2.745 4.753) 5.535 4.385 ( -8.553 -5.565 -2.783) 10.577 6.079 ( -4.930 8.912 3.178) 10.669 7.004 ( -6.850 20.274 -6.271) 22.300 10.053 ( 0.967 -16.775 6.922) 18.173 11.691 ( -14.771 23.972 -13.657) 31.295 13.555 ( -6.165 1.304 5.330) 8.254 14.230 ( 4.838 -10.008 9.424) 14.573 15.527 ( 3.566 2.418 -6.478) 7.780 19.037 ( 8.563 5.661 -16.427) 19.371 19.952 ( -7.265 -8.635 17.132) 20.515 ======================= Grid point 926 (351/781) ======================= q-point: (-0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 1.954 2.885 -7.760) 8.506 2.917 ( 0.750 -2.352 5.037) 5.609 4.146 ( -12.987 -5.163 -0.292) 13.979 6.063 ( -9.832 10.084 2.714) 14.343 7.098 ( -0.381 16.749 -6.805) 18.082 9.822 ( -9.105 -20.245 6.322) 23.081 11.623 ( -16.242 24.151 -13.453) 32.064 13.393 ( -11.217 -7.385 6.680) 14.999 14.207 ( -0.471 -7.809 7.676) 10.960 15.610 ( 5.078 2.638 -5.189) 7.725 19.144 ( 3.607 4.405 -20.311) 21.094 19.851 ( -1.486 -6.602 20.625) 21.707 ======================= Grid point 927 (352/781) ======================= q-point: (-0.20 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 1.640 2.691 -9.992) 10.477 2.919 ( -0.072 -1.718 5.178) 5.456 3.853 ( -16.987 -4.439 6.463) 18.709 5.936 ( -17.944 10.032 1.842) 20.641 7.293 ( 9.262 12.631 -8.677) 17.906 9.403 ( -18.652 -20.704 6.539) 28.624 11.539 ( -17.100 24.450 -12.973) 32.534 13.087 ( -14.003 -15.498 8.173) 22.429 14.105 ( -6.388 -5.143 5.359) 9.797 15.705 ( 4.640 2.267 -4.459) 6.823 19.112 ( -3.183 1.424 -20.028) 20.329 19.910 ( 6.319 -2.812 20.132) 21.287 ======================= Grid point 928 (353/781) ======================= q-point: (-0.15 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -0.836 2.117 -12.878) 13.077 2.907 ( -1.696 -0.982 4.738) 5.127 3.542 ( -18.724 -3.370 17.341) 25.742 5.666 ( -24.121 7.004 0.548) 25.123 7.585 ( 14.272 10.494 -12.366) 21.604 8.855 ( -25.009 -18.676 8.576) 32.370 11.453 ( -17.142 24.995 -12.243) 32.688 12.682 ( -15.345 -21.577 9.230) 28.040 13.922 ( -12.041 -3.295 3.362) 12.928 15.774 ( 2.572 1.589 -4.772) 5.649 18.982 ( -5.734 0.174 -17.496) 18.413 20.096 ( 10.339 -0.625 17.881) 20.664 ======================= Grid point 929 (354/781) ======================= q-point: (-0.10 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( -7.295 1.947 -11.614) 13.852 2.859 ( -5.207 -0.333 2.954) 5.996 3.290 ( -15.021 -2.233 28.777) 32.538 5.279 ( -26.505 2.357 -1.243) 26.639 7.748 ( -11.933 7.663 -16.546) 21.792 8.401 ( -2.953 -12.359 11.034) 16.829 11.383 ( -16.266 25.914 -11.272) 32.606 12.219 ( -15.433 -25.084 9.837) 31.051 13.654 ( -17.302 -2.591 1.817) 17.589 15.786 ( -0.717 0.842 -6.807) 6.897 18.844 ( -4.891 0.762 -15.135) 15.924 20.333 ( 11.836 -0.138 17.112) 20.807 ======================= Grid point 937 (355/781) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 0.000 -0.750 13.947) 13.967 2.523 ( 0.000 17.604 11.803) 21.194 3.987 ( 0.000 6.229 52.725) 53.092 4.115 ( -0.000 14.635 -11.444) 18.578 5.923 ( -0.000 51.249 -7.866) 51.849 8.980 ( -0.000 -13.571 -15.988) 20.971 10.208 ( -0.000 -1.842 -3.141) 3.642 12.441 ( -0.000 16.035 2.349) 16.207 12.695 ( -0.000 29.313 6.378) 29.999 14.847 ( -0.000 25.782 -31.608) 40.790 18.678 ( 0.000 -18.334 -1.474) 18.393 21.338 ( 0.000 -11.399 20.746) 23.671 ======================= Grid point 938 (356/781) ======================= q-point: ( 0.35 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 0.790 -2.060 9.558) 9.810 2.746 ( 4.063 12.450 10.562) 16.825 4.171 ( -0.700 6.962 38.761) 39.388 4.327 ( 8.564 16.632 0.867) 18.728 6.421 ( 7.249 41.209 -10.684) 43.185 8.787 ( -5.014 -7.265 -11.326) 14.360 10.320 ( 15.361 -1.217 -2.701) 15.644 12.449 ( -14.699 20.161 2.059) 25.035 13.093 ( 8.704 24.846 4.115) 26.646 15.031 ( 4.927 19.293 -25.150) 32.078 18.504 ( -1.080 -12.657 -5.686) 13.918 21.266 ( -2.425 -11.108 19.630) 22.685 ======================= Grid point 939 (357/781) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 1.451 -2.880 5.458) 6.339 2.929 ( 2.706 6.918 7.765) 10.746 4.347 ( 1.004 5.359 37.186) 37.584 4.708 ( 14.203 21.263 0.487) 25.574 6.846 ( 10.222 21.066 -17.157) 29.028 8.653 ( -6.172 6.088 -2.261) 8.959 10.655 ( 25.467 -0.554 -2.559) 25.601 12.409 ( -14.863 22.899 0.978) 27.317 13.450 ( 5.883 20.941 2.433) 21.888 15.223 ( 6.565 12.640 -18.777) 23.568 18.373 ( -0.447 -6.847 -9.062) 11.366 21.158 ( -4.410 -10.591 18.281) 21.582 ======================= Grid point 940 (358/781) ======================= q-point: ( 0.45 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 1.920 -3.208 2.164) 4.319 3.017 ( 0.006 3.253 4.883) 5.868 4.512 ( 1.388 2.176 34.339) 34.436 5.195 ( 15.593 25.393 -0.313) 29.800 7.034 ( 8.169 -1.465 -23.759) 25.167 8.728 ( -1.365 20.934 7.432) 22.256 11.118 ( 29.126 0.966 -3.320) 29.330 12.412 ( -11.887 24.012 0.719) 26.802 13.714 ( 3.280 16.724 1.334) 17.095 15.378 ( 5.769 7.346 -13.609) 16.506 18.309 ( 1.475 -2.003 -11.038) 11.315 21.020 ( -6.088 -10.127 16.754) 20.502 ======================= Grid point 941 (359/781) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 2.236 -2.964 -0.231) 3.720 3.032 ( -1.763 1.080 3.154) 3.772 4.627 ( 0.882 -1.179 26.969) 27.010 5.683 ( 10.953 26.516 0.869) 28.702 7.012 ( 5.536 -8.472 -23.726) 25.794 9.013 ( 5.409 21.950 10.988) 25.136 11.592 ( 23.771 5.218 -6.517) 25.195 12.499 ( -4.052 21.847 3.042) 22.427 13.898 ( 1.606 12.120 1.125) 12.277 15.476 ( 3.486 3.592 -10.029) 11.208 18.320 ( 4.149 1.474 -11.664) 12.467 20.854 ( -7.530 -9.832 15.139) 19.559 ======================= Grid point 942 (360/781) ======================= q-point: ( 0.55 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 2.471 -2.116 -1.936) 3.786 3.006 ( -2.492 -0.445 2.552) 3.594 4.672 ( -0.173 -4.048 17.334) 17.801 6.038 ( 2.392 20.261 2.112) 20.510 6.994 ( 5.433 1.608 -19.195) 20.014 9.351 ( 9.931 12.673 10.927) 19.458 11.930 ( 7.478 14.495 -11.588) 20.007 12.746 ( 10.703 14.246 7.342) 19.272 14.014 ( 0.589 6.964 1.939) 7.253 15.509 ( 0.976 1.313 -7.894) 8.062 18.405 ( 6.781 3.626 -11.403) 13.754 20.664 ( -8.662 -9.675 13.596) 18.802 ======================= Grid point 943 (361/781) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 2.608 -0.748 -3.260) 4.241 2.961 ( -2.319 -1.676 2.739) 3.961 4.647 ( -1.473 -5.623 7.997) 9.886 6.169 ( -2.787 8.615 2.169) 9.310 7.121 ( 1.994 19.101 -13.069) 23.230 9.633 ( 11.762 0.587 9.929) 15.404 12.082 ( -4.830 21.744 -13.425) 26.007 13.133 ( 17.513 8.509 8.137) 21.102 14.065 ( 0.033 0.726 3.859) 3.927 15.497 ( -0.499 0.469 -6.754) 6.789 18.546 ( 8.682 4.822 -10.925) 14.764 20.456 ( -9.311 -9.562 12.375) 18.201 ======================= Grid point 944 (362/781) ======================= q-point: ( 0.65 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 2.520 0.904 -4.488) 5.226 2.917 ( -1.345 -2.651 3.417) 4.529 4.566 ( -3.046 -5.627 1.325) 6.535 6.178 ( -2.710 3.236 2.625) 4.970 7.301 ( -5.549 28.466 -9.033) 30.376 9.804 ( 10.706 -10.467 8.711) 17.323 12.138 ( -10.380 24.844 -13.339) 30.048 13.496 ( 12.704 7.189 5.748) 15.688 14.055 ( 0.951 -7.179 7.314) 10.293 15.476 ( -0.158 0.851 -6.055) 6.117 18.720 ( 9.553 5.542 -10.946) 15.549 20.242 ( -9.256 -9.418 11.883) 17.764 ======================= Grid point 945 (363/781) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 2.124 2.419 -5.791) 6.626 2.889 ( 0.136 -3.246 4.275) 5.370 4.446 ( -5.358 -4.615 -1.407) 7.210 6.179 ( -0.981 2.199 2.895) 3.766 7.413 ( -12.266 30.010 -7.228) 33.216 9.835 ( 6.598 -18.111 7.512) 20.688 12.145 ( -13.738 26.188 -12.804) 32.226 13.669 ( -2.178 4.001 2.017) 4.982 14.041 ( 7.209 -12.382 11.209) 18.191 15.485 ( 1.847 1.828 -5.223) 5.834 18.903 ( 9.141 6.094 -12.352) 16.531 20.039 ( -8.086 -9.182 12.881) 17.765 ======================= Grid point 946 (364/781) ======================= q-point: (-0.25 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 1.607 3.278 -7.168) 8.044 2.884 ( 1.410 -3.266 4.909) 6.062 4.287 ( -8.707 -3.291 -0.018) 9.308 6.204 ( -0.204 2.766 2.510) 3.741 7.433 ( -14.832 26.030 -6.956) 30.756 9.718 ( -0.246 -20.908 6.534) 21.907 12.113 ( -16.189 26.717 -12.152) 33.519 13.525 ( -11.415 -8.192 4.406) 14.724 14.104 ( 6.424 -7.578 8.029) 12.773 15.544 ( 4.058 2.486 -4.093) 6.277 19.057 ( 6.295 6.235 -16.260) 18.517 19.883 ( -4.506 -8.491 16.485) 19.083 ======================= Grid point 947 (365/781) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 1.166 3.318 -8.641) 9.330 2.897 ( 1.708 -2.752 5.051) 6.001 4.089 ( -12.581 -1.966 5.113) 13.722 6.211 ( -4.902 3.745 1.781) 6.420 7.411 ( -9.226 18.150 -7.937) 21.853 9.464 ( -8.998 -18.711 6.001) 21.612 12.051 ( -17.766 26.778 -11.513) 34.135 13.195 ( -14.625 -16.734 6.991) 23.298 14.121 ( 0.375 -4.815 4.247) 6.431 15.635 ( 4.873 2.415 -3.268) 6.345 19.112 ( -0.286 4.715 -20.508) 21.045 19.848 ( 2.886 -6.090 20.596) 21.671 ======================= Grid point 948 (366/781) ======================= q-point: (-0.15 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 0.306 3.001 -10.247) 10.682 2.911 ( 0.889 -2.085 4.746) 5.260 3.862 ( -15.771 -0.680 13.445) 20.735 6.074 ( -16.376 2.743 0.566) 16.613 7.477 ( 4.451 10.376 -9.673) 14.868 9.095 ( -18.441 -12.908 6.184) 23.344 11.973 ( -18.275 26.572 -10.966) 34.063 12.765 ( -16.400 -21.939 8.553) 28.696 14.045 ( -5.663 -3.469 1.679) 6.850 15.723 ( 3.909 1.857 -3.407) 5.507 19.033 ( -5.252 2.755 -20.129) 20.985 19.970 ( 8.953 -3.198 20.431) 22.534 ======================= Grid point 949 (367/781) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -1.913 3.055 -10.882) 11.463 2.908 ( -0.970 -1.540 3.830) 4.241 3.636 ( -16.792 0.379 23.970) 29.269 5.723 ( -24.920 -1.479 -1.266) 24.996 7.696 ( 14.010 7.223 -12.844) 20.333 8.641 ( -26.071 -6.455 8.010) 28.027 11.894 ( -17.488 25.694 -10.721) 32.878 12.283 ( -17.009 -23.554 9.747) 30.645 13.872 ( -11.523 -2.944 0.082) 11.893 15.773 ( 1.436 1.176 -4.965) 5.301 18.902 ( -5.976 2.482 -18.240) 19.354 20.180 ( 11.438 -2.012 19.554) 22.743 ======================= Grid point 958 (368/781) ======================= q-point: ( 0.35 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 0.000 -2.971 7.285) 7.868 2.853 ( 0.000 9.967 9.717) 13.920 4.381 ( -0.000 18.850 -10.071) 21.372 4.382 ( 0.000 3.638 48.246) 48.383 6.685 ( -0.000 29.879 -15.336) 33.585 8.782 ( -0.000 3.885 -6.178) 7.298 10.174 ( -0.000 -0.239 -1.723) 1.740 12.763 ( -0.000 15.864 1.302) 15.917 13.275 ( -0.000 27.151 3.285) 27.349 15.093 ( -0.000 15.424 -22.069) 26.925 18.388 ( -0.000 -8.726 -7.363) 11.418 21.234 ( 0.000 -11.014 18.447) 21.485 ======================= Grid point 959 (369/781) ======================= q-point: ( 0.40 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 0.533 -3.510 4.911) 6.060 2.977 ( 1.675 6.232 7.561) 9.941 4.499 ( -1.030 6.088 29.132) 29.779 4.675 ( 11.350 15.958 6.733) 20.707 6.860 ( 2.116 11.681 -20.501) 23.690 8.850 ( -3.404 18.541 0.914) 18.873 10.301 ( 14.965 0.359 -1.053) 15.007 12.829 ( -9.643 18.084 0.439) 20.499 13.580 ( 4.096 23.202 1.740) 23.625 15.193 ( 3.787 10.164 -17.857) 20.893 18.298 ( -0.247 -4.145 -8.818) 9.747 21.162 ( -2.196 -10.578 16.945) 20.096 ======================= Grid point 960 (370/781) ======================= q-point: ( 0.45 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 1.124 -3.655 2.781) 4.728 3.059 ( 0.357 3.122 4.814) 5.748 4.613 ( -0.251 0.860 31.052) 31.065 5.119 ( 18.637 19.913 1.281) 27.304 6.866 ( 1.862 -2.769 -22.683) 22.927 9.030 ( -3.713 27.596 5.995) 28.483 10.652 ( 25.235 1.083 -0.740) 25.269 12.836 ( -11.217 20.559 -0.718) 23.431 13.840 ( 2.139 18.459 0.529) 18.590 15.305 ( 5.618 5.477 -13.359) 15.492 18.251 ( 0.445 -0.185 -9.618) 9.630 21.054 ( -4.173 -10.077 15.178) 18.690 ======================= Grid point 961 (371/781) ======================= q-point: ( 0.50 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 1.759 -3.373 1.064) 3.950 3.080 ( -1.488 1.183 2.723) 3.321 4.680 ( -0.437 -3.123 25.303) 25.499 5.663 ( 19.923 21.832 1.964) 29.621 6.779 ( 3.201 -8.006 -21.547) 23.209 9.267 ( -2.911 26.804 7.980) 28.118 11.136 ( 29.797 2.182 -1.246) 29.903 12.859 ( -9.844 21.570 -1.070) 23.734 14.015 ( -0.183 14.057 -0.016) 14.058 15.401 ( 5.224 1.996 -9.502) 11.026 18.256 ( 2.116 2.655 -9.659) 10.238 20.914 ( -5.952 -9.683 13.245) 17.454 ======================= Grid point 962 (372/781) ======================= q-point: ( 0.55 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 2.410 -2.622 -0.250) 3.570 3.054 ( -2.737 -0.113 1.647) 3.196 4.685 ( -0.997 -5.880 16.839) 17.864 6.143 ( 8.922 17.657 4.517) 20.292 6.773 ( 12.510 -1.478 -19.188) 22.954 9.476 ( -2.159 19.085 8.398) 20.962 11.658 ( 28.044 4.582 -3.466) 28.627 12.927 ( -5.806 20.339 0.590) 21.159 14.111 ( -2.084 9.660 0.231) 9.885 15.459 ( 3.350 -0.165 -6.793) 7.575 18.319 ( 4.442 4.374 -9.088) 11.020 20.744 ( -7.472 -9.420 11.309) 16.506 ======================= Grid point 963 (373/781) ======================= q-point: ( 0.60 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 3.019 -1.418 -1.301) 3.580 3.001 ( -3.215 -1.145 1.397) 3.688 4.636 ( -1.548 -6.815 8.647) 11.118 6.277 ( -2.540 3.648 1.901) 4.834 7.102 ( 18.281 17.708 -11.792) 28.050 9.603 ( -1.106 7.293 8.259) 11.074 12.112 ( 18.114 10.328 -7.909) 22.301 13.078 ( 2.691 15.191 4.753) 16.143 14.133 ( -3.868 4.594 1.100) 6.106 15.474 ( 1.328 -0.911 -5.127) 5.374 18.435 ( 6.750 5.260 -8.250) 11.886 20.548 ( -8.573 -9.221 9.590) 15.827 ======================= Grid point 964 (374/781) ======================= q-point: ( 0.65 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 3.418 0.139 -2.308) 4.126 2.937 ( -2.871 -2.048 1.736) 3.931 4.559 ( -2.073 -5.947 2.707) 6.855 6.244 ( -2.876 0.107 1.556) 3.272 7.540 ( 9.304 27.316 -8.328) 30.034 9.628 ( 0.958 -6.392 7.971) 10.262 12.404 ( 3.404 18.571 -11.474) 22.093 13.338 ( 12.288 7.296 7.790) 16.276 14.073 ( -5.675 -1.696 2.604) 6.470 15.465 ( 0.321 -0.381 -4.118) 4.148 18.595 ( 8.414 5.743 -7.636) 12.731 20.336 ( -9.050 -9.013 8.398) 15.286 ======================= Grid point 965 (375/781) ======================= q-point: ( 0.70 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 3.294 1.866 -3.557) 5.195 2.880 ( -1.656 -2.888 2.527) 4.179 4.471 ( -3.011 -4.045 -0.160) 5.045 6.210 ( -1.382 -0.392 1.888) 2.373 7.859 ( -3.972 32.288 -7.372) 33.356 9.569 ( 4.165 -18.531 7.638) 20.472 12.543 ( -6.783 23.945 -11.572) 27.446 13.635 ( 13.127 3.194 5.319) 14.519 13.923 ( -6.492 -10.076 5.914) 13.366 15.465 ( 0.910 0.864 -3.323) 3.552 18.779 ( 9.009 6.200 -7.924) 13.506 20.123 ( -8.631 -8.787 8.282) 14.843 ======================= Grid point 966 (376/781) ======================= q-point: (-0.25 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 2.332 3.400 -5.293) 6.710 2.845 ( 0.323 -3.589 3.667) 5.141 4.376 ( -4.920 -1.937 0.193) 5.291 6.207 ( 0.801 -0.291 1.715) 1.915 7.968 ( -16.664 29.680 -7.079) 34.766 9.472 ( 6.060 -22.664 6.996) 24.481 12.588 ( -12.623 26.122 -10.474) 30.845 13.642 ( -11.870 -9.807 1.905) 15.515 13.897 ( 12.324 -6.502 8.257) 16.197 15.500 ( 2.660 1.949 -2.435) 4.099 18.962 ( 7.866 6.796 -10.306) 14.638 19.933 ( -6.626 -8.574 10.391) 15.013 ======================= Grid point 967 (377/781) ======================= q-point: (-0.20 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 0.901 3.985 -7.135) 8.222 2.845 ( 2.230 -3.604 4.575) 6.237 4.265 ( -7.902 -0.072 3.638) 8.699 6.236 ( 2.001 -0.257 1.062) 2.280 7.846 ( -21.498 17.515 -6.859) 28.566 9.375 ( 1.881 -15.467 5.844) 16.641 12.570 ( -16.208 26.368 -9.702) 32.437 13.289 ( -14.386 -18.264 5.675) 23.932 14.026 ( 6.765 -4.419 3.175) 8.682 15.573 ( 4.168 2.205 -1.733) 5.024 19.092 ( 3.184 7.028 -16.012) 17.774 19.818 ( -1.156 -7.906 15.989) 17.875 ======================= Grid point 968 (378/781) ======================= q-point: (-0.15 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 0.077 3.496 -8.287) 8.995 2.870 ( 2.611 -2.803 4.498) 5.908 4.129 ( -11.270 1.455 9.777) 14.991 6.237 ( -2.991 -1.439 0.175) 3.323 7.613 ( -13.711 4.407 -7.139) 16.074 9.250 ( -7.831 -4.143 4.749) 10.052 12.501 ( -18.006 24.323 -10.011) 31.876 12.853 ( -16.183 -21.432 8.178) 28.073 14.056 ( 0.744 -3.404 0.439) 3.512 15.662 ( 4.370 1.715 -1.873) 5.055 19.093 ( -3.778 5.656 -20.282) 21.393 19.854 ( 6.677 -5.633 20.422) 22.212 ======================= Grid point 969 (379/781) ======================= q-point: (-0.10 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( -0.431 3.074 -8.795) 9.327 2.895 ( 1.469 -2.086 3.873) 4.638 3.975 ( -13.908 2.633 17.952) 22.862 6.043 ( -16.592 -5.544 -1.115) 17.530 7.517 ( 4.744 -1.732 -8.028) 9.484 9.045 ( -18.912 5.310 4.220) 20.092 12.294 ( -17.271 -11.204 -3.097) 20.819 12.482 ( -17.671 11.314 2.493) 21.130 13.988 ( -5.469 -2.399 -1.013) 6.057 15.733 ( 3.080 0.980 -3.263) 4.593 18.988 ( -6.658 4.578 -19.945) 21.519 20.023 ( 10.790 -3.788 20.752) 23.695 ======================= Grid point 979 (380/781) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 0.000 -3.924 3.974) 5.585 3.038 ( 0.000 4.701 6.406) 7.945 4.669 ( 0.000 -1.229 40.243) 40.261 4.709 ( -0.000 19.478 -7.529) 20.883 6.847 ( -0.000 1.330 -21.830) 21.870 9.121 ( -0.000 28.666 3.729) 28.907 10.176 ( -0.000 0.816 0.133) 0.826 13.066 ( -0.000 14.695 0.209) 14.696 13.783 ( -0.000 23.905 0.502) 23.911 15.191 ( -0.000 6.418 -15.959) 17.202 18.251 ( -0.000 -0.860 -8.536) 8.579 21.126 ( 0.000 -10.204 15.276) 18.371 ======================= Grid point 980 (381/781) ======================= q-point: ( 0.45 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 0.485 -3.967 2.941) 4.962 3.095 ( 0.288 2.758 4.384) 5.187 4.717 ( -2.180 -1.818 28.573) 28.714 5.010 ( 13.962 16.298 -0.161) 21.462 6.761 ( -0.535 -4.609 -20.301) 20.825 9.404 ( -3.582 31.852 5.196) 32.471 10.319 ( 15.020 1.465 0.955) 15.121 13.154 ( -5.750 15.284 -0.707) 16.345 14.010 ( 0.365 20.585 -0.524) 20.595 15.226 ( 3.673 2.877 -12.880) 13.699 18.232 ( -0.025 1.941 -8.075) 8.305 21.053 ( -2.134 -9.686 13.290) 16.583 ======================= Grid point 981 (382/781) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 1.127 -3.620 1.999) 4.286 3.120 ( -0.929 1.222 2.323) 2.784 4.725 ( -1.589 -5.647 22.744) 23.489 5.481 ( 22.436 16.582 0.282) 27.900 6.638 ( -0.879 -6.148 -16.888) 17.993 9.639 ( -5.679 28.897 5.515) 29.962 10.686 ( 25.047 2.229 1.228) 25.176 13.190 ( -7.402 16.317 -1.670) 17.995 14.179 ( -1.638 16.581 -1.099) 16.698 15.289 ( 5.658 0.058 -9.311) 10.896 18.242 ( 0.610 3.890 -7.354) 8.342 20.943 ( -4.176 -9.198 11.072) 14.988 ======================= Grid point 982 (383/781) ======================= q-point: ( 0.55 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 1.923 -2.889 1.233) 3.683 3.102 ( -2.392 0.177 0.909) 2.565 4.687 ( -1.589 -7.848 15.299) 17.268 6.056 ( 23.825 16.669 3.737) 29.316 6.537 ( 2.621 -5.273 -15.017) 16.130 9.795 ( -7.752 22.438 5.231) 24.309 11.183 ( 30.027 2.634 0.651) 30.149 13.222 ( -6.796 16.303 -1.541) 17.730 14.271 ( -3.956 12.862 -1.237) 13.513 15.353 ( 5.518 -1.880 -6.246) 8.544 18.287 ( 2.120 5.027 -6.349) 8.371 20.799 ( -6.043 -8.798 8.774) 13.817 ======================= Grid point 983 (384/781) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 2.801 -1.804 0.633) 3.392 3.052 ( -3.420 -0.606 0.225) 3.481 4.616 ( -1.573 -7.915 8.416) 11.660 6.346 ( -2.215 1.470 1.804) 3.213 6.800 ( 29.534 12.015 -8.561) 33.014 9.833 ( -10.301 13.288 4.663) 17.448 11.728 ( 30.295 3.822 -1.000) 30.552 13.274 ( -4.589 14.720 0.425) 15.425 14.285 ( -6.467 8.639 -1.323) 10.872 15.398 ( 4.122 -2.471 -4.013) 6.261 18.376 ( 4.259 5.544 -5.145) 8.680 20.622 ( -7.584 -8.447 6.591) 13.127 ======================= Grid point 984 (385/781) ======================= q-point: ( 0.65 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 3.625 -0.442 0.104) 3.653 2.981 ( -3.797 -1.264 0.085) 4.003 4.538 ( -1.431 -6.240 3.427) 7.262 6.293 ( -3.122 -0.975 0.200) 3.277 7.423 ( 27.357 17.570 -4.238) 32.788 9.729 ( -12.331 2.037 4.140) 13.166 12.247 ( 25.083 7.160 -3.874) 26.372 13.360 ( -0.604 10.592 4.231) 11.422 14.209 ( -9.094 3.272 -1.608) 9.797 15.424 ( 2.508 -1.594 -2.497) 3.881 18.508 ( 6.443 5.729 -3.985) 9.498 20.421 ( -8.602 -8.072 4.758) 12.720 ======================= Grid point 985 (386/781) ======================= q-point: ( 0.70 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 4.143 1.080 -0.547) 4.316 2.905 ( -3.420 -1.891 0.322) 3.921 4.471 ( -1.446 -3.727 0.697) 4.058 6.237 ( -2.300 -1.073 0.601) 2.608 8.005 ( 19.034 22.676 -3.906) 29.862 9.489 ( -12.015 -11.029 4.195) 16.840 12.665 ( 13.791 13.783 -7.175) 20.776 13.486 ( 5.698 2.493 8.715) 10.706 14.032 ( -11.565 -2.604 -2.183) 12.054 15.443 ( 1.567 0.049 -1.511) 2.177 18.677 ( 8.035 5.899 -3.296) 10.499 20.208 ( -8.886 -7.658 3.623) 12.277 ======================= Grid point 986 (387/781) ======================= q-point: (-0.25 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 3.920 2.686 -1.703) 5.048 2.836 ( -2.164 -2.660 1.007) 3.574 4.419 ( -2.071 -1.168 0.241) 2.390 6.202 ( -0.774 -1.036 0.730) 1.485 8.432 ( -0.414 30.016 -6.093) 30.631 9.180 ( -2.087 -25.328 6.135) 26.144 12.926 ( -0.334 21.151 -8.213) 22.692 13.625 ( 8.077 -12.600 13.828) 20.377 13.778 ( -10.072 -2.381 -6.095) 12.011 15.475 ( 1.848 1.468 -0.802) 2.492 18.867 ( 8.412 6.324 -3.889) 11.220 20.001 ( -8.083 -7.329 3.928) 11.597 ======================= Grid point 987 (388/781) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 2.164 4.262 -4.122) 6.312 2.793 ( 0.377 -3.665 2.725) 4.582 4.375 ( -3.704 1.014 2.062) 4.359 6.197 ( 1.270 -1.187 0.472) 1.801 8.365 ( -25.835 8.344 -6.011) 27.807 9.140 ( 13.563 -8.646 5.521) 17.006 13.027 ( -10.687 24.011 -7.208) 27.253 13.353 ( -13.409 -20.290 5.140) 24.858 13.839 ( 10.413 -3.903 1.214) 11.187 15.530 ( 2.932 1.973 -0.345) 3.551 19.046 ( 6.349 7.215 -7.615) 12.261 19.830 ( -5.044 -7.353 7.524) 11.666 ======================= Grid point 988 (389/781) ======================= q-point: (-0.15 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( -0.512 4.045 -6.661) 7.810 2.802 ( 3.280 -3.198 4.359) 6.324 4.321 ( -6.323 2.698 6.081) 9.178 6.214 ( 1.817 -2.223 -0.151) 2.875 7.900 ( -22.960 -9.678 -4.414) 25.304 9.311 ( 3.332 7.354 3.129) 8.659 12.887 ( -17.266 -16.836 -1.181) 24.144 13.028 ( -14.021 15.847 0.084) 21.159 13.957 ( 7.191 -3.381 -0.274) 7.950 15.604 ( 3.741 1.533 -0.570) 4.083 19.144 ( -0.365 7.796 -15.661) 17.498 19.764 ( 2.521 -7.099 15.669) 17.386 ======================= Grid point 989 (390/781) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( -0.749 2.611 -6.883) 7.400 2.848 ( 3.033 -1.719 3.708) 5.089 4.248 ( -9.255 3.904 11.973) 15.629 6.161 ( -5.360 -6.049 -0.995) 8.143 7.476 ( -9.828 -12.857 -4.868) 16.899 9.381 ( -8.453 13.598 2.433) 16.195 12.392 ( -17.104 -23.239 1.984) 28.923 12.940 ( -16.254 18.397 -2.269) 24.653 14.004 ( 1.094 -0.971 -1.351) 1.991 15.675 ( 3.583 0.683 -1.896) 4.111 19.096 ( -6.440 6.697 -19.734) 21.812 19.866 ( 9.515 -5.377 20.206) 22.972 ======================= Grid point 1000 (391/781) ======================= q-point: ( 0.45 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 0.000 -3.974 2.851) 4.891 3.128 ( 0.000 1.984 3.310) 3.859 4.785 ( 0.000 -7.708 28.410) 29.437 5.028 ( -0.000 16.732 -5.231) 17.530 6.666 ( -0.000 -5.032 -16.502) 17.252 9.770 ( -0.000 32.397 4.427) 32.698 10.204 ( 0.000 1.244 2.304) 2.618 13.330 ( -0.000 12.434 -0.890) 12.466 14.207 ( -0.000 19.949 -1.432) 20.000 15.174 ( -0.000 0.568 -11.310) 11.325 18.238 ( -0.000 3.593 -6.556) 7.476 21.015 ( 0.000 -9.116 11.077) 14.346 ======================= Grid point 1001 (392/781) ======================= q-point: ( 0.50 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 0.542 -3.597 2.657) 4.504 3.148 ( -0.415 1.051 1.753) 2.086 4.749 ( -1.954 -9.179 20.051) 22.139 5.298 ( 14.729 13.819 -2.614) 20.365 6.569 ( -1.247 -4.077 -11.812) 12.558 10.022 ( -5.316 26.506 3.681) 27.283 10.374 ( 15.377 3.606 2.957) 16.068 13.411 ( -3.419 11.684 -1.609) 12.280 14.372 ( -1.670 17.286 -1.897) 17.470 15.174 ( 3.686 -1.315 -8.573) 9.424 18.261 ( 0.025 4.614 -5.077) 6.861 20.940 ( -2.181 -8.518 8.598) 12.298 ======================= Grid point 1002 (393/781) ======================= q-point: ( 0.55 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 1.280 -2.859 2.467) 3.987 3.141 ( -1.617 0.298 0.292) 1.670 4.672 ( -1.760 -9.725 13.073) 16.388 5.757 ( 25.152 11.819 -1.138) 27.814 6.479 ( -2.152 -2.740 -7.319) 8.106 10.155 ( -7.318 20.585 2.988) 22.051 10.751 ( 23.733 3.276 2.691) 24.109 13.446 ( -4.571 11.077 -1.819) 12.120 14.473 ( -4.120 14.557 -2.194) 15.287 15.213 ( 5.701 -2.957 -5.553) 8.490 18.301 ( 0.652 5.140 -3.552) 6.282 20.826 ( -4.308 -7.962 5.982) 10.851 ======================= Grid point 1003 (394/781) ======================= q-point: ( 0.60 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 2.201 -1.832 2.338) 3.697 3.102 ( -2.932 -0.240 -0.679) 3.019 4.584 ( -1.418 -8.634 7.488) 11.516 6.348 ( 31.554 10.618 0.413) 33.295 6.400 ( -2.435 -1.882 -4.490) 5.444 10.174 ( -11.726 13.970 1.764) 18.324 11.239 ( 29.803 2.152 2.163) 29.959 13.470 ( -4.103 9.830 -0.540) 10.665 14.496 ( -7.283 11.084 -3.057) 13.610 15.270 ( 6.105 -3.366 -2.849) 7.531 18.366 ( 2.092 5.304 -1.918) 6.016 20.676 ( -6.222 -7.421 3.402) 10.264 ======================= Grid point 1004 (395/781) ======================= q-point: ( 0.65 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 3.204 -0.623 2.255) 3.967 3.036 ( -3.880 -0.637 -1.164) 4.100 4.507 ( -0.937 -6.287 3.431) 7.223 6.331 ( -2.861 -1.173 -1.905) 3.632 7.010 ( 34.439 9.688 0.681) 35.783 10.035 ( -16.529 5.760 0.374) 17.508 11.791 ( 31.777 2.499 1.252) 31.900 13.498 ( -2.877 7.517 2.251) 8.357 14.417 ( -10.689 5.968 -4.607) 13.080 15.335 ( 5.180 -1.858 -0.848) 5.568 18.466 ( 4.148 5.235 -0.235) 6.683 20.495 ( -7.732 -6.819 1.039) 10.361 ======================= Grid point 1005 (396/781) ======================= q-point: ( 0.70 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 4.113 0.621 2.140) 4.678 2.956 ( -4.263 -0.937 -1.344) 4.567 4.453 ( -0.442 -3.527 0.875) 3.661 6.270 ( -2.739 -0.888 -0.919) 3.023 7.682 ( 33.657 9.128 1.543) 34.907 9.735 ( -20.840 -2.194 -0.943) 20.977 12.346 ( 29.490 4.140 -0.060) 29.779 13.527 ( -1.729 3.270 6.004) 7.052 14.227 ( -13.553 0.698 -6.463) 15.032 15.400 ( 3.444 0.275 0.183) 3.460 18.607 ( 6.299 5.107 1.272) 8.209 20.293 ( -8.653 -6.111 -0.905) 10.632 ======================= Grid point 1006 (397/781) ======================= q-point: (-0.25 -0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 4.678 1.761 1.847) 5.329 2.870 ( -4.018 -1.212 -1.366) 4.414 4.428 ( -0.187 -0.977 -0.222) 1.019 6.218 ( -2.131 -0.744 -0.422) 2.296 8.311 ( 30.350 6.892 2.820) 31.251 9.296 ( -24.696 -7.029 -2.583) 25.807 12.848 ( 23.384 7.433 -1.575) 24.587 13.520 ( -1.711 -5.467 10.293) 11.779 13.953 ( -14.863 -1.445 -8.831) 17.349 15.457 ( 2.098 1.775 0.573) 2.807 18.782 ( 7.878 5.125 2.154) 9.642 20.084 ( -8.796 -5.383 -2.069) 10.518 ======================= Grid point 1007 (398/781) ======================= q-point: (-0.20 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 4.526 2.831 1.042) 5.439 2.792 ( -3.071 -1.687 -1.081) 3.667 4.423 ( -0.508 1.107 0.208) 1.236 6.184 ( -0.888 -0.857 -0.187) 1.248 8.668 ( -4.120 -30.141 5.188) 30.860 8.939 ( 1.394 25.006 -5.289) 25.598 13.250 ( 11.817 13.293 -2.876) 18.017 13.353 ( -8.831 -18.967 8.734) 22.672 13.726 ( -5.884 -0.134 -6.077) 8.460 15.511 ( 1.850 2.252 0.683) 2.993 18.976 ( 8.074 5.587 1.373) 9.914 19.887 ( -7.715 -4.993 -1.454) 9.303 ======================= Grid point 1008 (399/781) ======================= q-point: (-0.15 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 1.484 4.756 -2.993) 5.812 2.738 ( 0.480 -3.390 2.214) 4.077 4.428 ( -1.750 2.708 2.279) 3.948 6.170 ( 0.533 -1.686 -0.237) 1.784 8.105 ( -21.236 -25.623 -0.811) 33.289 9.320 ( 10.318 18.262 0.300) 20.977 12.941 ( -14.696 -24.263 3.391) 28.568 13.423 ( -10.455 19.009 -3.378) 21.956 13.750 ( 12.101 -4.661 -0.671) 12.985 15.568 ( 2.315 1.785 0.353) 2.944 19.151 ( 4.864 7.079 -4.195) 9.559 19.737 ( -3.496 -5.702 4.122) 7.857 ======================= Grid point 1009 (400/781) ======================= q-point: (-0.10 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -1.893 1.425 -5.060) 5.588 2.788 ( 3.946 -0.167 3.484) 5.266 4.425 ( -3.944 3.875 5.999) 8.158 6.147 ( -0.713 -4.519 -0.631) 4.619 7.527 ( -16.926 -22.905 -2.282) 28.572 9.598 ( 1.512 17.599 1.155) 17.702 12.444 ( -16.183 -24.717 1.287) 29.572 13.340 ( -13.935 11.449 -1.341) 18.085 13.926 ( 8.259 2.219 -0.957) 8.605 15.623 ( 2.702 0.809 -0.851) 2.946 19.210 ( -3.983 8.249 -15.504) 18.008 19.725 ( 6.187 -6.371 15.729) 18.063 ======================= Grid point 1021 (401/781) ======================= q-point: ( 0.50 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 0.000 -3.222 3.126) 4.489 3.164 ( 0.000 0.643 0.827) 1.048 4.716 ( 0.000 -11.655 15.767) 19.607 5.286 ( -0.000 12.173 -3.491) 12.663 6.521 ( -0.000 -2.347 -7.362) 7.727 10.247 ( 0.000 1.041 4.620) 4.736 10.357 ( -0.000 24.944 1.664) 25.000 13.533 ( -0.000 9.112 -1.977) 9.324 14.543 ( -0.000 15.644 -2.110) 15.786 15.102 ( -0.000 -2.091 -6.760) 7.076 18.296 ( -0.000 4.839 -2.965) 5.676 20.900 ( 0.000 -7.783 5.859) 9.742 ======================= Grid point 1022 (402/781) ======================= q-point: ( 0.55 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 0.638 -2.500 3.479) 4.332 3.163 ( -0.741 0.181 -0.346) 0.837 4.631 ( -1.113 -10.861 10.343) 15.039 5.508 ( 14.587 9.221 -2.456) 17.431 6.478 ( -1.370 -0.998 -3.539) 3.924 10.342 ( 5.912 4.367 4.999) 8.889 10.580 ( 2.843 15.179 0.341) 15.447 13.586 ( -2.194 7.452 -2.281) 8.096 14.661 ( -2.240 13.686 -2.246) 14.049 15.090 ( 3.280 -3.151 -4.137) 6.148 18.338 ( 0.112 4.794 -0.942) 4.887 20.822 ( -2.263 -7.059 2.965) 7.984 ======================= Grid point 1023 (403/781) ======================= q-point: ( 0.60 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 1.464 -1.523 3.780) 4.330 3.138 ( -1.927 -0.153 -1.386) 2.378 4.540 ( -1.007 -8.665 5.996) 10.585 5.921 ( 25.549 6.104 -2.759) 26.413 6.439 ( -1.995 0.337 0.543) 2.095 10.453 ( -4.849 8.675 1.614) 10.068 10.835 ( 19.086 3.208 2.174) 19.476 13.601 ( -2.815 5.818 -1.350) 6.603 14.707 ( -5.881 10.576 -3.984) 12.740 15.128 ( 5.879 -3.128 -0.698) 6.696 18.390 ( 0.796 4.608 1.127) 4.810 20.705 ( -4.441 -6.322 0.062) 7.726 ======================= Grid point 1024 (404/781) ======================= q-point: ( 0.65 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 2.449 -0.433 4.052) 4.755 3.088 ( -3.168 -0.331 -2.056) 3.791 4.468 ( -0.522 -5.979 2.645) 6.559 6.313 ( 7.323 -0.839 -8.363) 11.148 6.558 ( 23.030 5.631 8.832) 25.300 10.346 ( -14.066 3.498 -1.649) 14.588 11.286 ( 29.730 0.787 3.562) 29.953 13.602 ( -2.397 3.688 1.006) 4.513 14.632 ( -9.866 4.567 -6.445) 12.639 15.222 ( 6.632 -0.208 1.856) 6.890 18.465 ( 2.228 4.304 3.293) 5.859 20.552 ( -6.340 -5.485 -2.701) 8.808 ======================= Grid point 1025 (405/781) ======================= q-point: (-0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 3.471 0.601 4.266) 5.532 3.016 ( -4.097 -0.371 -2.404) 4.765 4.423 ( 0.170 -3.447 0.090) 3.452 6.301 ( -1.855 -0.358 -3.044) 3.582 7.154 ( 35.155 3.177 5.604) 35.740 10.057 ( -19.395 -2.566 -3.609) 19.894 11.838 ( 32.840 0.829 3.584) 33.045 13.593 ( -2.078 0.231 3.986) 4.501 14.436 ( -12.793 -0.373 -8.164) 15.180 15.341 ( 5.114 2.201 2.367) 6.050 18.572 ( 4.263 3.918 5.459) 7.957 20.372 ( -7.785 -4.473 -5.198) 10.374 ======================= Grid point 1026 (406/781) ======================= q-point: (-0.25 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 4.342 1.398 4.370) 6.317 2.932 ( -4.545 -0.273 -2.628) 5.257 4.407 ( 0.950 -1.428 -1.646) 2.377 6.254 ( -2.611 0.124 -1.597) 3.064 7.779 ( 34.718 -1.688 6.360) 35.336 9.645 ( -22.543 -4.781 -5.471) 23.685 12.406 ( 31.764 1.058 3.462) 31.970 13.541 ( -3.366 -6.203 6.098) 9.327 14.167 ( -14.261 -1.374 -9.146) 16.998 15.442 ( 2.947 3.227 2.004) 4.808 18.717 ( 6.426 3.546 7.367) 10.399 20.176 ( -8.647 -3.308 -7.285) 11.780 ======================= Grid point 1027 (407/781) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 4.856 1.763 4.363) 6.762 2.845 ( -4.496 0.001 -2.946) 5.376 4.416 ( 1.629 0.058 -2.372) 2.878 6.209 ( -2.487 0.212 -0.790) 2.618 8.236 ( 22.198 -17.057 8.029) 29.123 9.259 ( -15.934 5.757 -7.528) 18.539 12.926 ( 27.030 -0.722 5.005) 27.499 13.361 ( -7.425 -14.641 2.559) 16.614 13.917 ( -12.559 2.860 -6.835) 14.582 15.515 ( 1.384 3.268 1.549) 3.872 18.897 ( 8.050 3.347 8.586) 12.236 19.978 ( -8.802 -2.212 -8.642) 12.532 ======================= Grid point 1028 (408/781) ======================= q-point: (-0.15 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 4.858 1.214 4.538) 6.757 2.766 ( -4.026 0.808 -3.735) 5.551 4.446 ( 1.862 1.176 -1.867) 2.887 6.170 ( -1.876 -0.504 -0.240) 1.957 8.086 ( -9.082 -31.466 3.520) 32.939 9.336 ( 8.417 18.099 -3.251) 20.224 12.937 ( -11.559 -24.818 4.380) 27.726 13.414 ( 20.804 0.846 -1.456) 20.872 13.758 ( -10.919 7.478 -2.475) 13.464 15.565 ( 0.839 2.634 1.032) 2.950 19.096 ( 8.246 3.753 7.988) 12.078 19.792 ( -7.767 -1.819 -8.118) 11.381 ======================= Grid point 1029 (409/781) ======================= q-point: (-0.10 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -1.218 -2.109 0.000) 2.435 2.750 ( 2.302 3.988 -0.000) 4.605 4.487 ( 1.204 2.086 -0.000) 2.409 6.126 ( -1.728 -2.994 -0.000) 3.457 7.559 ( -16.156 -27.983 -0.000) 32.312 9.673 ( 9.498 16.452 -0.000) 18.997 12.462 ( -14.817 -25.664 -0.000) 29.634 13.557 ( -3.087 -5.348 -0.000) 6.175 13.822 ( 7.780 13.475 -0.000) 15.560 15.602 ( 0.931 1.612 -0.000) 1.862 19.270 ( 3.628 6.284 0.000) 7.256 19.656 ( -2.248 -3.894 -0.000) 4.496 ======================= Grid point 1043 (410/781) ======================= q-point: ( 0.55 0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 0.000 -1.833 4.304) 4.678 3.167 ( -0.000 -0.102 -1.143) 1.147 4.562 ( 0.000 -10.072 7.150) 12.352 5.455 ( -0.000 6.857 -2.153) 7.187 6.479 ( -0.000 0.140 -1.173) 1.181 10.295 ( 0.000 0.305 6.899) 6.906 10.727 ( -0.000 12.655 -2.203) 12.845 13.656 ( -0.000 4.938 -3.035) 5.796 14.797 ( -0.000 11.748 -1.789) 11.883 15.024 ( -0.000 -3.190 -2.005) 3.768 18.382 ( 0.000 4.286 1.504) 4.542 20.781 ( 0.000 -6.161 -0.190) 6.164 ======================= Grid point 1044 (411/781) ======================= q-point: ( 0.60 0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 0.726 -0.947 4.976) 5.117 3.154 ( -0.812 -0.350 -2.031) 2.215 4.486 ( -0.411 -7.770 3.947) 8.725 5.624 ( 14.056 3.863 -1.789) 14.687 6.475 ( -1.097 1.268 1.154) 2.035 10.412 ( 10.191 0.206 7.489) 12.649 10.781 ( -2.208 5.049 -3.878) 6.739 13.671 ( -1.337 2.815 -2.862) 4.231 14.862 ( -3.440 7.001 -5.331) 9.448 15.027 ( 3.640 -0.886 3.532) 5.148 18.431 ( 0.243 3.769 3.936) 5.455 20.701 ( -2.311 -5.239 -3.353) 6.635 ======================= Grid point 1045 (412/781) ======================= q-point: (-0.35 -0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 1.600 0.004 5.525) 5.752 3.120 ( -1.905 -0.421 -2.743) 3.367 4.424 ( -0.185 -5.404 0.925) 5.486 5.964 ( 23.029 0.329 -3.442) 23.287 6.489 ( 0.447 3.035 5.232) 6.065 10.527 ( -4.690 -1.578 0.191) 4.952 10.873 ( 18.081 -0.689 2.052) 18.211 13.656 ( -1.577 0.571 -1.155) 2.037 14.777 ( -7.031 -0.801 -7.529) 10.333 15.144 ( 5.495 4.114 5.885) 9.042 18.489 ( 1.003 3.221 6.473) 7.299 20.583 ( -4.467 -4.192 -6.394) 8.855 ======================= Grid point 1046 (413/781) ======================= q-point: (-0.30 -0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 2.573 0.854 5.950) 6.538 3.066 ( -3.065 -0.308 -3.137) 4.396 4.380 ( 0.479 -3.684 -1.920) 4.182 6.248 ( 9.418 -1.716 -6.528) 11.587 6.695 ( 20.694 3.285 10.494) 23.434 10.287 ( -14.788 -7.572 -4.706) 17.268 11.312 ( 30.346 -0.726 5.552) 30.858 13.621 ( -1.674 -2.743 1.263) 3.452 14.583 ( -9.880 -4.372 -8.137) 13.525 15.299 ( 5.089 5.273 5.190) 8.980 18.569 ( 2.461 2.588 9.095) 9.771 20.434 ( -6.291 -2.920 -9.208) 11.528 ======================= Grid point 1047 (414/781) ======================= q-point: (-0.25 -0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 3.506 1.454 6.220) 7.287 2.995 ( -3.971 -0.026 -3.316) 5.174 4.357 ( 1.548 -2.700 -4.385) 5.377 6.283 ( -0.236 0.219 -3.220) 3.236 7.206 ( 31.968 -1.789 9.303) 33.342 9.898 ( -17.986 -10.466 -6.399) 21.771 11.865 ( 33.367 -0.816 5.941) 33.901 13.537 ( -3.185 -8.667 2.674) 9.613 14.332 ( -11.283 -4.455 -8.003) 14.533 15.437 ( 3.449 5.205 3.873) 7.348 18.679 ( 4.518 1.898 11.606) 12.598 20.264 ( -7.671 -1.404 -11.721) 14.078 ======================= Grid point 1048 (415/781) ======================= q-point: (-0.20 -0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 4.179 1.648 6.315) 7.750 2.916 ( -4.438 0.454 -3.501) 5.671 4.355 ( 2.921 -2.210 -6.089) 7.106 6.257 ( -2.386 0.865 -1.326) 2.864 7.699 ( 27.392 -10.508 9.360) 30.795 9.496 ( -14.901 -6.548 -7.556) 17.945 12.428 ( 31.898 -1.756 6.551) 32.611 13.333 ( -7.125 -16.995 0.302) 18.430 14.103 ( -9.851 -0.596 -5.416) 11.257 15.535 ( 1.477 4.583 2.686) 5.514 18.826 ( 6.735 1.236 13.726) 15.339 20.084 ( -8.577 0.221 -13.851) 16.293 ======================= Grid point 1049 (416/781) ======================= q-point: (-0.15 -0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 4.260 1.131 6.268) 7.662 2.838 ( -4.301 1.324 -3.896) 5.952 4.378 ( 4.341 -1.882 -6.677) 8.183 6.214 ( -3.130 0.087 -0.150) 3.134 7.850 ( 5.331 -24.320 6.945) 25.848 9.350 ( 2.832 5.714 -5.569) 8.467 12.831 ( 6.392 -17.127 9.676) 20.684 13.066 ( 9.495 -9.551 -6.638) 15.015 13.962 ( -7.414 3.444 -1.597) 8.330 15.594 ( 0.030 3.700 1.808) 4.119 19.007 ( 8.505 0.707 15.212) 17.442 19.901 ( -8.995 1.635 -15.421) 17.927 ======================= Grid point 1064 (417/781) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 0.000 -0.212 5.948) 5.952 3.148 ( -0.000 -0.671 -2.717) 2.799 4.429 ( 0.000 -6.201 1.304) 6.337 5.525 ( -0.000 1.311 -1.094) 1.707 6.508 ( 0.000 2.682 2.287) 3.525 10.337 ( 0.000 -0.743 8.983) 9.013 10.811 ( -0.000 -1.722 -5.721) 5.974 13.686 ( -0.000 0.287 -4.044) 4.054 14.893 ( -0.000 -2.607 -6.688) 7.178 15.044 ( 0.000 6.739 7.690) 10.225 18.477 ( 0.000 2.976 6.646) 7.282 20.660 ( -0.000 -4.142 -6.731) 7.904 ======================= Grid point 1065 (418/781) ======================= q-point: (-0.35 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 0.779 0.544 6.725) 6.792 3.127 ( -0.649 -0.851 -3.366) 3.532 4.374 ( 0.010 -4.910 -1.855) 5.249 5.637 ( 13.298 -1.651 -1.077) 13.444 6.546 ( -0.648 4.684 4.483) 6.516 10.445 ( 9.051 -2.033 8.775) 12.770 10.719 ( -1.137 -7.902 -6.123) 10.062 13.660 ( -0.616 -2.087 -3.657) 4.255 14.804 ( -3.063 -6.178 -6.429) 9.428 15.160 ( 2.281 7.657 8.316) 11.532 18.528 ( 0.357 2.196 9.405) 9.665 20.582 ( -2.279 -2.915 -9.947) 10.613 ======================= Grid point 1066 (419/781) ======================= q-point: (-0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 1.649 1.178 7.324) 7.599 3.090 ( -1.520 -0.763 -3.767) 4.133 4.322 ( 0.530 -4.522 -5.266) 6.961 5.901 ( 20.800 -4.817 -2.616) 21.510 6.623 ( 1.911 6.966 8.364) 11.051 10.372 ( -9.035 -13.500 -4.455) 16.844 10.859 ( 23.026 -2.481 6.302) 24.002 13.604 ( -1.060 -5.194 -2.058) 5.687 14.634 ( -6.196 -8.363 -6.976) 12.530 15.308 ( 3.453 7.255 7.834) 11.222 18.589 ( 1.177 1.333 12.229) 12.358 20.471 ( -4.338 -1.434 -12.882) 13.668 ======================= Grid point 1067 (420/781) ======================= q-point: (-0.25 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 2.552 1.591 7.730) 8.294 3.039 ( -2.540 -0.441 -3.871) 4.650 4.275 ( 1.705 -4.873 -8.480) 9.928 6.152 ( 14.251 -5.497 -4.260) 15.858 6.842 ( 13.876 5.964 12.199) 19.415 10.004 ( -13.152 -17.756 -6.843) 23.131 11.326 ( 30.888 -1.790 7.811) 31.910 13.496 ( -2.814 -10.509 -0.840) 10.912 14.409 ( -7.772 -8.338 -6.732) 13.238 15.453 ( 3.138 6.442 6.211) 9.483 18.669 ( 2.681 0.388 14.934) 15.178 20.336 ( -6.066 0.331 -15.440) 16.592 ======================= Grid point 1068 (421/781) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 3.312 1.729 7.899) 8.738 2.975 ( -3.384 0.062 -3.842) 5.120 4.239 ( 3.516 -5.490 -10.949) 12.743 6.247 ( 4.257 -3.357 -2.402) 5.930 7.232 ( 22.207 -0.538 12.134) 25.311 9.586 ( -12.169 -17.065 -7.666) 22.317 11.877 ( 33.219 -2.059 8.010) 34.233 13.276 ( -6.778 -18.158 -2.029) 19.488 14.199 ( -6.617 -5.302 -4.538) 9.618 15.568 ( 1.741 5.384 4.412) 7.175 18.777 ( 4.798 -0.538 17.198) 17.863 20.186 ( -7.450 2.258 -17.547) 19.196 ======================= Grid point 1069 (422/781) ======================= q-point: (-0.15 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 3.595 1.504 7.756) 8.680 2.907 ( -3.753 0.752 -3.878) 5.448 4.226 ( 5.756 -5.965 -12.184) 14.737 6.239 ( -0.313 -3.787 -0.359) 3.817 7.537 ( 12.621 -9.810 10.012) 18.862 9.301 ( -0.923 -9.367 -6.771) 11.595 12.416 ( 29.367 -4.281 9.328) 31.108 12.916 ( -8.838 -22.932 -6.251) 25.359 14.063 ( -4.332 -2.110 -1.249) 4.977 15.641 ( 0.080 4.312 3.012) 5.260 18.921 ( 7.087 -1.384 18.786) 20.126 20.028 ( -8.545 4.088 -19.151) 21.366 ======================= Grid point 1085 (423/781) ======================= q-point: (-0.35 -0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 0.000 1.047 7.705) 7.775 3.109 ( -0.000 -1.354 -3.955) 4.180 4.315 ( -0.000 -5.047 -5.569) 7.516 5.493 ( 0.000 -4.168 -0.284) 4.178 6.625 ( 0.000 7.381 5.879) 9.436 10.370 ( 0.000 -1.810 10.744) 10.896 10.600 ( -0.000 -15.540 -7.839) 17.405 13.620 ( -0.000 -4.369 -4.980) 6.625 14.737 ( -0.000 -9.158 -5.723) 10.799 15.246 ( 0.000 7.897 9.631) 12.455 18.573 ( 0.000 1.219 12.236) 12.296 20.545 ( -0.000 -1.519 -13.234) 13.321 ======================= Grid point 1086 (424/781) ======================= q-point: (-0.30 -0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 0.794 1.389 8.490) 8.639 3.081 ( -0.231 -1.597 -4.371) 4.660 4.242 ( 0.361 -6.096 -9.686) 11.450 5.548 ( 12.531 -6.971 -0.386) 14.345 6.726 ( -0.467 10.353 8.460) 13.378 10.318 ( -5.270 -18.465 -4.266) 19.671 10.533 ( 13.771 -4.921 7.055) 16.237 13.547 ( -0.549 -6.970 -4.703) 8.426 14.593 ( -2.856 -11.632 -6.235) 13.503 15.363 ( 1.594 7.327 9.960) 12.467 18.623 ( 0.420 0.180 14.987) 14.994 20.477 ( -2.167 0.133 -16.105) 16.250 ======================= Grid point 1087 (425/781) ======================= q-point: (-0.25 -0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 1.650 1.513 9.073) 9.345 3.045 ( -0.714 -1.453 -4.457) 4.742 4.155 ( 1.439 -7.663 -13.525) 15.612 5.747 ( 19.832 -9.866 -1.242) 22.186 6.870 ( 1.251 12.599 11.571) 17.152 9.960 ( -8.764 -24.609 -7.372) 27.144 10.857 ( 24.574 -2.596 9.649) 26.527 13.426 ( -2.395 -11.350 -3.907) 12.240 14.392 ( -4.386 -12.351 -6.259) 14.524 15.492 ( 2.241 6.357 8.705) 11.010 18.681 ( 1.286 -0.928 17.468) 17.540 20.384 ( -4.104 2.064 -18.401) 18.966 ======================= Grid point 1088 (426/781) ======================= q-point: (-0.20 -0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 2.510 1.460 9.406) 9.844 3.001 ( -1.536 -1.015 -4.267) 4.647 4.068 ( 3.397 -9.154 -16.500) 19.172 5.967 ( 17.956 -11.978 -1.719) 21.653 7.094 ( 6.560 12.270 13.759) 19.568 9.533 ( -9.155 -25.717 -8.032) 28.455 11.336 ( 30.945 -2.307 9.606) 32.483 13.200 ( -6.456 -18.176 -4.331) 19.769 14.195 ( -3.391 -10.235 -4.631) 11.734 15.606 ( 1.794 5.147 6.671) 8.614 18.754 ( 2.862 -1.954 19.304) 19.612 20.274 ( -5.801 4.120 -19.994) 21.222 ======================= Grid point 1089 (427/781) ======================= q-point: (-0.15 -0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 3.114 1.341 9.395) 9.988 2.950 ( -2.315 -0.422 -4.037) 4.672 4.002 ( 6.100 -10.220 -18.091) 21.655 6.079 ( 10.169 -13.616 -0.574) 17.004 7.377 ( 8.265 8.389 13.072) 17.595 9.157 ( -2.891 -22.203 -7.828) 23.720 11.883 ( 32.469 -2.578 9.584) 33.952 12.831 ( -10.326 -24.251 -6.485) 27.144 14.060 ( -1.345 -7.546 -1.726) 7.857 15.687 ( 0.622 3.979 4.763) 6.238 18.855 ( 5.034 -2.773 20.157) 20.960 20.153 ( -7.312 6.009 -20.803) 22.854 ======================= Grid point 1106 (428/781) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 0.000 1.343 9.492) 9.586 3.047 ( -0.000 -2.456 -4.859) 5.445 4.134 ( -0.000 -8.239 -14.465) 16.647 5.362 ( 0.000 -9.233 0.274) 9.237 6.876 ( 0.000 13.510 10.335) 17.010 10.134 ( -0.000 -26.782 -8.775) 28.183 10.393 ( 0.000 -2.610 12.089) 12.367 13.461 ( -0.000 -8.563 -5.826) 10.357 14.469 ( -0.000 -14.736 -6.530) 16.118 15.449 ( 0.000 6.520 11.094) 12.868 18.664 ( 0.000 -0.960 17.384) 17.410 20.454 ( -0.000 1.925 -18.694) 18.792 ======================= Grid point 1107 (429/781) ======================= q-point: (-0.25 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 0.833 0.974 10.308) 10.388 3.010 ( 0.493 -2.909 -5.027) 5.829 4.000 ( 0.831 -10.475 -18.765) 21.507 5.365 ( 11.803 -11.705 0.186) 16.624 7.046 ( -0.631 15.587 12.663) 20.092 9.784 ( -4.766 -30.183 -8.603) 31.745 10.528 ( 14.302 -2.927 11.761) 18.746 13.336 ( -1.837 -11.434 -5.839) 12.969 14.280 ( -1.437 -16.554 -6.785) 17.948 15.549 ( 1.087 5.321 10.631) 11.937 18.706 ( 0.451 -2.092 19.221) 19.340 20.407 ( -2.035 3.950 -20.436) 20.914 ======================= Grid point 1108 (430/781) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 1.822 0.379 10.871) 11.029 2.978 ( 0.592 -2.795 -4.766) 5.557 3.856 ( 2.551 -12.294 -22.055) 25.379 5.504 ( 18.799 -14.566 -0.123) 23.782 7.235 ( 0.305 16.151 14.695) 21.838 9.359 ( -6.450 -31.326 -8.933) 33.207 10.868 ( 24.715 -2.580 11.268) 27.285 13.119 ( -6.154 -17.096 -6.118) 19.172 14.086 ( -0.268 -15.397 -5.702) 16.421 15.645 ( 1.437 3.935 8.929) 9.863 18.753 ( 1.379 -3.039 20.136) 20.411 20.345 ( -3.929 6.004 -21.173) 22.356 ======================= Grid point 1109 (431/781) ======================= q-point: (-0.15 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 2.915 -0.120 11.101) 11.478 2.946 ( -0.009 -2.284 -4.246) 4.822 3.726 ( 5.221 -13.532 -23.937) 27.989 5.668 ( 17.996 -18.090 0.113) 25.517 7.462 ( 2.936 15.699 15.525) 22.273 8.934 ( -4.407 -29.607 -9.472) 31.396 11.351 ( 30.747 -2.136 10.737) 32.638 12.755 ( -10.781 -23.481 -7.482) 26.899 13.950 ( 1.860 -12.810 -3.067) 13.302 15.722 ( 1.085 2.658 6.850) 7.428 18.815 ( 3.022 -3.624 19.819) 20.373 20.269 ( -5.733 7.751 -20.867) 22.986 ======================= Grid point 1127 (432/781) ======================= q-point: (-0.25 -0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 0.000 -0.197 11.373) 11.375 2.953 ( -0.000 -4.378 -5.375) 6.932 3.817 ( -0.000 -12.728 -23.359) 26.601 5.143 ( 0.000 -13.297 0.558) 13.309 7.247 ( 0.000 15.894 14.549) 21.547 9.487 ( 0.000 -32.987 -9.734) 34.393 10.412 ( 0.000 -2.943 12.960) 13.289 13.224 ( -0.000 -11.927 -6.581) 13.622 14.088 ( -0.000 -20.125 -7.546) 21.493 15.617 ( 0.000 3.802 11.232) 11.859 18.734 ( 0.000 -3.095 20.041) 20.278 20.411 ( -0.000 5.978 -21.332) 22.154 ======================= Grid point 1128 (433/781) ======================= q-point: (-0.20 -0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 1.123 -2.002 12.059) 12.275 2.903 ( 1.637 -5.228 -5.216) 7.564 3.622 ( 1.252 -14.010 -26.711) 30.189 5.103 ( 10.875 -15.165 0.487) 18.667 7.430 ( -0.212 12.526 16.449) 20.676 9.107 ( -3.775 -31.169 -10.399) 33.074 10.544 ( 14.153 -2.757 12.720) 19.228 13.038 ( -5.043 -15.266 -7.029) 17.547 13.875 ( 1.892 -20.717 -7.263) 22.034 15.685 ( 0.754 2.138 10.434) 10.678 18.763 ( 0.498 -3.782 19.681) 20.047 20.400 ( -1.995 7.911 -20.983) 22.514 ======================= Grid point 1129 (434/781) ======================= q-point: (-0.15 -0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 2.911 -4.045 12.122) 13.107 2.875 ( 2.608 -5.244 -4.381) 7.314 3.439 ( 3.136 -14.259 -28.535) 32.053 5.187 ( 16.851 -17.865 0.540) 24.564 7.584 ( 3.024 4.616 17.593) 18.438 8.720 ( -6.271 -23.096 -11.128) 26.393 10.890 ( 24.802 -2.050 12.006) 27.631 12.698 ( -11.225 -21.557 -8.273) 25.674 13.729 ( 5.212 -18.050 -5.023) 19.447 15.743 ( 1.099 0.677 8.768) 8.863 18.796 ( 1.496 -3.997 17.996) 18.495 20.375 ( -4.006 9.402 -19.497) 22.013 ======================= Grid point 1148 (435/781) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 0.000 -6.116 12.177) 13.627 2.807 ( -0.000 -7.658 -5.356) 9.345 3.394 ( -0.000 -13.634 -29.225) 32.249 4.863 ( 0.000 -15.497 0.480) 15.504 7.542 ( 0.000 -1.962 17.461) 17.571 8.850 ( -0.000 -19.798 -11.065) 22.680 10.433 ( 0.000 -2.704 13.358) 13.629 12.928 ( -0.000 -14.250 -7.254) 15.990 13.602 ( -0.000 -24.881 -8.403) 26.262 15.721 ( 0.000 0.192 10.761) 10.763 18.775 ( 0.000 -4.094 17.935) 18.397 20.443 ( -0.000 9.621 -19.477) 21.723 ======================= Grid point 1149 (436/781) ======================= q-point: (-0.15 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 2.426 -11.650 9.887) 15.471 2.737 ( 3.349 -9.198 -4.701) 10.859 3.196 ( 0.934 -11.013 -28.361) 30.439 4.794 ( 9.467 -16.407 0.375) 18.946 7.479 ( 3.262 -25.025 14.615) 29.164 8.687 ( -5.322 1.597 -8.055) 9.786 10.571 ( 14.323 -2.091 13.008) 19.461 12.664 ( -10.421 -18.559 -8.358) 22.867 13.399 ( 7.359 -23.527 -7.217) 25.685 15.751 ( 0.674 -1.469 9.984) 10.114 18.789 ( 0.565 -3.908 15.013) 15.524 20.472 ( -2.129 10.811 -16.953) 20.219 ======================= Grid point 1169 (437/781) ======================= q-point: (-0.15 -0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 0.000 -20.437 2.607) 20.603 2.582 ( -0.000 -12.749 -4.573) 13.544 3.032 ( -0.000 -6.324 -21.649) 22.554 4.562 ( 0.000 -15.025 -0.136) 15.025 7.131 ( 0.000 -44.333 9.580) 45.356 8.823 ( -0.000 17.230 -3.268) 17.538 10.466 ( 0.000 -1.876 13.352) 13.483 12.593 ( -0.000 -15.473 -7.863) 17.356 13.030 ( 0.000 -28.564 -8.829) 29.897 15.751 ( 0.000 -3.268 10.169) 10.681 18.787 ( 0.000 -3.411 11.299) 11.803 20.556 ( -0.000 11.714 -13.685) 18.014 ======================= Grid point 1276 (438/781) ======================= q-point: ( 0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 770 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 0.000 -0.000 21.583) 21.583 0.571 ( 0.000 -0.000 21.583) 21.583 2.344 ( 0.000 -0.000 87.936) 87.936 3.746 ( -0.000 0.000 -9.817) 9.817 3.746 ( -0.000 0.000 -9.817) 9.817 10.262 ( -0.000 0.000 -24.182) 24.182 10.733 ( 0.000 0.000 0.831) 0.831 10.733 ( -0.000 -0.000 0.831) 0.831 11.355 ( 0.000 -0.000 0.349) 0.349 11.355 ( -0.000 0.000 0.349) 0.349 21.195 ( -0.000 0.000 -5.007) 5.007 22.343 ( 0.000 -0.000 6.272) 6.272 ======================= Grid point 1277 (439/781) ======================= q-point: ( 0.20 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 21.062 12.160 15.940) 29.079 1.268 ( 36.645 21.157 15.260) 44.982 2.655 ( 6.294 3.634 83.970) 84.284 3.709 ( 0.665 0.384 -11.265) 11.291 3.836 ( 10.122 5.844 -10.804) 15.916 10.008 ( -9.270 -5.352 -19.214) 21.994 10.831 ( 10.594 6.116 0.121) 12.233 10.935 ( 7.080 4.087 8.274) 11.631 11.235 ( -1.568 -0.905 -6.543) 6.789 12.638 ( 74.832 43.205 -53.930) 101.858 20.715 ( -41.923 -24.204 11.252) 49.699 21.821 ( -22.666 -13.086 32.832) 41.987 ======================= Grid point 1278 (440/781) ======================= q-point: ( 0.25 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 23.639 13.648 12.900) 30.190 1.956 ( 18.415 10.632 24.161) 32.185 3.117 ( 12.399 7.159 68.071) 69.561 3.715 ( 3.168 1.829 -12.392) 12.921 4.216 ( 29.012 16.750 -10.833) 35.208 9.714 ( -12.218 -7.054 -19.904) 24.397 11.008 ( -2.390 -1.380 9.188) 9.594 11.170 ( 18.936 10.933 0.985) 21.888 11.334 ( 11.687 6.748 -7.445) 15.413 13.839 ( 47.305 27.312 -54.730) 77.324 19.838 ( -35.617 -20.563 20.448) 45.929 21.585 ( -10.428 -6.021 25.549) 28.245 ======================= Grid point 1279 (441/781) ======================= q-point: ( 0.30 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 20.429 11.795 12.225) 26.569 2.305 ( 8.069 4.659 24.271) 25.997 3.505 ( 6.811 3.933 53.422) 53.998 3.789 ( 6.992 4.037 -12.932) 15.245 5.078 ( 46.935 27.098 -4.976) 54.424 9.340 ( -15.888 -9.173 -19.283) 26.616 10.968 ( -2.020 -1.166 3.225) 3.980 11.624 ( 14.433 8.333 -1.947) 16.780 11.661 ( 23.850 13.770 1.387) 27.574 14.545 ( 29.689 17.141 -40.375) 52.966 19.243 ( -22.188 -12.810 9.573) 27.351 21.431 ( -9.965 -5.753 22.595) 25.356 ======================= Grid point 1280 (442/781) ======================= q-point: ( 0.35 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 14.018 8.093 11.308) 19.746 2.498 ( 4.478 2.585 13.855) 14.788 3.789 ( 5.873 3.391 49.890) 50.348 3.966 ( 12.111 6.992 -12.000) 18.428 6.172 ( 49.678 28.681 -2.965) 57.439 8.899 ( -18.372 -10.607 -16.709) 27.004 10.946 ( -0.258 -0.149 -0.384) 0.487 11.954 ( 14.865 8.582 0.845) 17.186 12.223 ( 25.262 14.585 1.710) 29.220 14.989 ( 19.556 11.291 -28.934) 36.702 18.867 ( -12.785 -7.382 -1.193) 14.811 21.265 ( -10.449 -6.033 21.253) 24.439 ======================= Grid point 1281 (443/781) ======================= q-point: ( 0.40 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 1.870 1.080 4.121) 4.652 2.708 ( 7.497 4.329 9.088) 12.552 4.070 ( 6.482 3.743 46.556) 47.154 4.256 ( 16.010 9.243 -9.208) 20.653 7.222 ( 42.965 24.806 -8.110) 50.270 8.452 ( -16.165 -9.333 -8.339) 20.444 10.952 ( 1.226 0.708 -3.280) 3.572 12.289 ( 14.379 8.302 2.700) 16.821 12.786 ( 24.118 13.925 2.031) 27.923 15.273 ( 12.500 7.217 -21.479) 25.878 18.651 ( -5.331 -3.078 -8.486) 10.484 21.086 ( -10.936 -6.314 20.340) 23.941 ======================= Grid point 1282 (444/781) ======================= q-point: ( 0.45 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( -0.018 -0.011 -1.348) 1.348 2.849 ( 3.445 1.989 6.776) 7.858 4.340 ( 6.079 3.510 39.101) 39.726 4.605 ( 16.425 9.483 -6.056) 19.909 7.668 ( -5.803 -3.351 -27.144) 27.959 8.503 ( 27.035 15.609 14.002) 34.214 10.978 ( 2.100 1.213 -5.909) 6.387 12.609 ( 13.060 7.540 4.174) 15.647 13.307 ( 21.434 12.375 2.505) 24.876 15.434 ( 7.072 4.083 -16.976) 18.838 18.571 ( 0.798 0.461 -12.443) 12.477 20.893 ( -11.418 -6.592 19.515) 23.551 ======================= Grid point 1283 (445/781) ======================= q-point: ( 0.50 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -0.899 -0.519 -3.729) 3.871 2.918 ( 1.418 0.819 5.265) 5.513 4.557 ( 4.171 2.408 28.440) 28.845 4.937 ( 14.106 8.144 -3.571) 16.676 7.301 ( -15.445 -8.917 -19.387) 26.342 9.251 ( 31.150 17.985 10.283) 37.410 11.007 ( 2.224 1.284 -8.391) 8.775 12.894 ( 10.913 6.301 5.460) 13.734 13.758 ( 17.887 10.327 3.312) 20.918 15.501 ( 3.169 1.830 -14.263) 14.725 18.604 ( 5.302 3.061 -14.136) 15.405 20.688 ( -11.829 -6.829 18.729) 23.181 ======================= Grid point 1284 (446/781) ======================= q-point: ( 0.55 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -0.816 -0.471 -4.586) 4.682 2.951 ( 0.395 0.228 4.440) 4.464 4.682 ( 0.877 0.507 16.165) 16.197 5.206 ( 10.362 5.982 -1.722) 12.088 6.937 ( -12.053 -6.959 -12.877) 18.960 9.890 ( 22.704 13.108 8.831) 27.664 11.023 ( 1.618 0.934 -10.701) 10.863 13.125 ( 7.988 4.612 6.595) 11.339 14.124 ( 13.557 7.827 4.537) 16.298 15.506 ( 1.101 0.636 -12.429) 12.494 18.715 ( 8.044 4.644 -14.847) 17.513 20.473 ( -11.988 -6.921 18.121) 22.803 ======================= Grid point 1285 (447/781) ======================= q-point: ( 0.60 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 0.019 0.011 -4.877) 4.877 2.965 ( -0.199 -0.115 4.016) 4.023 4.682 ( -3.646 -2.105 4.501) 6.163 5.387 ( 5.969 3.446 -0.295) 6.899 6.709 ( -5.372 -3.101 -6.960) 9.323 10.304 ( 11.584 6.688 8.108) 15.642 11.013 ( 0.467 0.270 -12.729) 12.740 13.286 ( 4.426 2.555 7.537) 9.106 14.383 ( 7.853 4.534 6.022) 10.886 15.495 ( 1.325 0.765 -10.917) 11.023 18.868 ( 9.328 5.385 -15.641) 18.991 20.259 ( -11.677 -6.742 18.015) 22.502 ======================= Grid point 1286 (448/781) ======================= q-point: (-0.35 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 1.296 0.748 -5.167) 5.379 2.967 ( -0.680 -0.392 3.794) 3.875 4.544 ( -8.756 -5.055 -3.113) 10.579 5.471 ( 1.335 0.771 0.822) 1.747 6.664 ( 2.781 1.606 -3.493) 4.745 10.449 ( -0.813 -0.469 7.527) 7.585 10.969 ( -0.917 -0.529 -14.327) 14.366 13.365 ( 0.479 0.277 8.220) 8.239 14.499 ( 0.525 0.303 7.231) 7.256 15.518 ( 3.552 2.051 -9.288) 10.153 19.032 ( 9.311 5.376 -17.366) 20.425 20.061 ( -10.472 -6.046 18.965) 22.492 ======================= Grid point 1287 (449/781) ======================= q-point: (-0.30 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 2.592 1.497 -5.930) 6.643 2.956 ( -1.281 -0.739 3.671) 3.958 4.279 ( -13.519 -7.805 -4.757) 16.319 5.452 ( -3.279 -1.893 1.633) 4.123 6.806 ( 10.448 6.032 -3.508) 12.565 10.312 ( -13.077 -7.550 7.119) 16.695 10.890 ( -2.174 -1.255 -15.362) 15.566 13.355 ( -3.511 -2.027 8.607) 9.514 14.450 ( -6.658 -3.844 7.862) 10.996 15.596 ( 5.307 3.064 -7.573) 9.742 19.165 ( 6.747 3.895 -20.156) 21.609 19.918 ( -6.788 -3.919 21.044) 22.456 ======================= Grid point 1288 (450/781) ======================= q-point: (-0.25 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 3.301 1.906 -7.924) 8.793 2.928 ( -2.249 -1.299 3.618) 4.454 3.920 ( -17.470 -10.086 -0.829) 20.190 5.335 ( -7.581 -4.377 2.075) 8.996 7.096 ( 16.173 9.338 -5.875) 19.578 9.916 ( -23.701 -13.684 7.300) 28.324 10.785 ( -2.996 -1.730 -15.759) 16.135 13.259 ( -7.172 -4.141 8.707) 12.017 14.256 ( -12.521 -7.229 8.248) 16.645 15.695 ( 5.019 2.898 -6.393) 8.629 19.186 ( 0.116 0.067 -19.811) 19.812 19.911 ( 1.020 0.589 20.040) 20.074 ======================= Grid point 1289 (451/781) ======================= q-point: (-0.20 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 2.013 1.162 -12.862) 13.071 2.871 ( -3.908 -2.257 3.674) 5.819 3.509 ( -19.481 -11.247 9.314) 24.346 5.129 ( -11.105 -6.411 2.047) 12.985 7.466 ( 17.667 10.200 -10.154) 22.788 9.320 ( -30.312 -17.500 9.062) 36.155 10.669 ( -3.197 -1.846 -15.516) 15.949 13.088 ( -10.171 -5.872 8.576) 14.542 13.942 ( -17.454 -10.077 8.498) 21.873 15.772 ( 3.241 1.871 -5.986) 7.060 19.076 ( -4.493 -2.594 -16.202) 17.012 20.062 ( 7.008 4.046 15.899) 17.840 ======================= Grid point 1290 (452/781) ======================= q-point: (-0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( -6.855 -3.958 -18.378) 20.010 2.766 ( -6.702 -3.870 3.945) 8.687 3.162 ( -13.832 -7.986 23.569) 28.471 4.858 ( -13.152 -7.593 1.432) 15.254 7.689 ( -1.542 -0.890 -16.252) 16.349 8.746 ( -16.496 -9.524 12.668) 22.876 10.557 ( -2.725 -1.574 -14.689) 15.022 12.859 ( -12.277 -7.088 8.280) 16.417 13.527 ( -21.610 -12.477 8.658) 26.412 15.799 ( 0.587 0.339 -6.741) 6.775 18.919 ( -5.049 -2.915 -14.073) 15.233 20.294 ( 9.435 5.447 13.916) 17.673 ======================= Grid point 1297 (453/781) ======================= q-point: ( 0.20 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 0.000 23.757 16.503) 28.927 1.316 ( 0.000 43.398 15.110) 45.953 2.894 ( 0.000 5.176 84.351) 84.509 3.733 ( -0.000 3.585 -11.050) 11.617 3.747 ( -0.000 9.002 -12.631) 15.511 9.951 ( -0.000 -10.068 -22.143) 24.325 10.542 ( 0.000 -8.943 -1.674) 9.099 11.074 ( 0.000 18.136 9.257) 20.362 11.568 ( -0.000 12.059 2.377) 12.291 12.338 ( -0.000 81.081 -54.072) 97.457 20.731 ( 0.000 -45.295 7.130) 45.853 21.910 ( 0.000 -25.927 30.006) 39.655 ======================= Grid point 1298 (454/781) ======================= q-point: ( 0.25 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 13.431 24.407 14.256) 31.294 1.887 ( 14.073 24.937 18.966) 34.345 3.256 ( 5.851 9.091 76.457) 77.217 3.709 ( -1.404 6.346 -12.396) 13.997 3.980 ( 15.805 19.084 -13.319) 28.131 9.725 ( -6.514 -10.340 -23.005) 26.050 10.647 ( 21.043 -10.371 -2.449) 23.587 11.217 ( -9.168 15.322 10.056) 20.492 11.603 ( -5.257 26.303 -1.672) 26.875 13.304 ( 37.862 51.685 -54.848) 84.339 20.095 ( -21.509 -41.165 16.141) 49.170 21.729 ( -6.990 -12.351 26.648) 30.191 ======================= Grid point 1299 (455/781) ======================= q-point: ( 0.30 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 15.650 21.336 13.437) 29.677 2.283 ( 8.299 7.036 22.036) 24.576 3.618 ( 4.293 5.383 57.106) 57.520 3.750 ( 1.826 9.267 -10.798) 14.346 4.654 ( 35.506 33.760 -6.142) 49.377 9.403 ( -10.930 -11.735 -22.597) 27.709 10.955 ( 24.666 -9.140 -5.331) 26.840 11.192 ( -7.007 11.269 8.210) 15.605 11.897 ( 3.403 32.052 1.407) 32.263 14.133 ( 30.377 30.685 -43.940) 61.604 19.448 ( -19.694 -26.688 11.160) 34.995 21.578 ( -7.758 -8.988 23.199) 26.061 ======================= Grid point 1300 (456/781) ======================= q-point: ( 0.35 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 11.674 14.750 12.947) 22.835 2.483 ( 5.219 1.910 15.723) 16.676 3.852 ( 5.782 7.992 11.982) 15.520 3.923 ( 4.261 9.927 27.167) 29.236 5.671 ( 44.091 34.775 -2.425) 56.207 9.006 ( -14.233 -12.626 -20.271) 27.801 11.058 ( -5.335 8.590 -4.577) 11.100 11.465 ( 27.988 -5.466 4.971) 28.947 12.303 ( 6.759 31.692 2.775) 32.523 14.696 ( 21.601 19.563 -32.333) 43.529 18.980 ( -13.451 -16.462 1.761) 21.331 21.420 ( -8.699 -8.299 21.225) 24.393 ======================= Grid point 1301 (457/781) ======================= q-point: ( 0.40 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 3.293 -1.260 7.795) 8.555 2.694 ( 5.943 9.349 10.181) 15.045 4.105 ( 9.006 10.032 14.190) 19.573 4.194 ( 5.947 12.405 23.882) 27.561 6.725 ( 43.402 28.820 -5.320) 52.370 8.584 ( -14.862 -11.182 -13.996) 23.277 11.040 ( -5.716 10.709 -5.551) 13.348 11.914 ( 28.434 -4.404 4.440) 29.114 12.744 ( 10.025 27.562 3.176) 29.500 15.073 ( 14.536 12.801 -23.793) 30.680 18.678 ( -7.021 -9.203 -5.901) 12.993 21.248 ( -9.482 -8.058 19.856) 23.433 ======================= Grid point 1302 (458/781) ======================= q-point: ( 0.45 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 1.366 -2.123 1.389) 2.882 2.854 ( 2.325 4.760 7.559) 9.230 4.386 ( 6.409 4.233 35.170) 35.999 4.517 ( 9.653 19.604 0.141) 21.852 7.492 ( 19.564 7.968 -23.417) 31.537 8.364 ( 5.308 4.811 7.405) 10.303 11.042 ( -4.513 11.238 -7.526) 14.258 12.346 ( 23.719 -0.561 5.242) 24.298 13.186 ( 12.981 21.023 3.361) 24.935 15.306 ( 8.724 8.043 -18.335) 21.839 18.526 ( -0.974 -3.644 -10.549) 11.204 21.060 ( -10.163 -7.994 18.727) 22.757 ======================= Grid point 1303 (459/781) ======================= q-point: ( 0.50 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 0.101 -1.929 -2.307) 3.009 2.928 ( 0.736 1.926 5.812) 6.167 4.598 ( 3.743 1.540 31.484) 31.743 4.872 ( 9.160 20.217 -2.930) 22.388 7.374 ( -10.477 -9.257 -24.958) 28.607 8.926 ( 30.875 17.865 13.005) 37.968 11.058 ( -3.857 11.326 -9.594) 15.337 12.725 ( 17.728 3.100 6.184) 19.030 13.602 ( 14.686 14.157 3.845) 20.758 15.425 ( 4.204 4.573 -15.111) 16.338 18.504 ( 3.996 0.442 -12.679) 13.301 20.859 ( -10.759 -8.042 17.737) 22.250 ======================= Grid point 1304 (460/781) ======================= q-point: ( 0.55 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( -0.427 -1.274 -4.174) 4.385 2.961 ( 0.206 0.289 4.914) 4.927 4.719 ( 0.915 -0.706 20.333) 20.366 5.183 ( 6.047 18.255 -1.634) 19.300 7.027 ( -11.710 -7.589 -17.392) 22.298 9.617 ( 27.441 12.890 10.658) 32.136 11.071 ( -3.994 11.095 -11.561) 16.514 13.034 ( 11.806 5.158 6.996) 14.661 13.971 ( 14.467 8.291 4.883) 17.374 15.461 ( 1.358 2.309 -13.178) 13.447 18.582 ( 7.303 3.075 -13.462) 15.621 20.647 ( -11.128 -8.087 16.962) 21.839 ======================= Grid point 1305 (461/781) ======================= q-point: ( 0.60 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( -0.197 -0.361 -5.084) 5.101 2.974 ( 0.039 -0.645 4.491) 4.537 4.728 ( -2.649 -3.074 8.248) 9.192 5.413 ( 2.035 15.444 -0.259) 15.580 6.765 ( -7.700 -3.335 -10.323) 13.303 10.132 ( 18.737 5.894 9.386) 21.770 11.067 ( -4.851 10.644 -13.281) 17.697 13.260 ( 6.382 5.273 7.617) 11.250 14.269 ( 11.817 3.392 6.395) 13.858 15.455 ( 0.604 1.421 -11.864) 11.964 18.719 ( 8.965 4.505 -14.056) 17.270 20.430 ( -11.044 -7.987 16.643) 21.512 ======================= Grid point 1306 (462/781) ======================= q-point: ( 0.65 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 0.634 0.634 -5.687) 5.757 2.978 ( -0.123 -1.098 4.303) 4.443 4.619 ( -6.738 -5.153 -0.807) 8.520 5.548 ( -2.275 12.407 0.838) 12.642 6.654 ( -1.425 1.302 -5.284) 5.626 10.403 ( 7.629 -1.608 8.424) 11.478 11.035 ( -6.173 10.121 -14.590) 18.799 13.394 ( 1.476 3.759 8.046) 9.003 14.457 ( 6.320 -1.234 7.869) 10.168 15.458 ( 2.229 2.008 -10.663) 11.077 18.879 ( 9.272 5.064 -15.350) 18.634 20.222 ( -10.202 -7.573 17.216) 21.397 ======================= Grid point 1307 (463/781) ======================= q-point: (-0.30 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 1.743 1.510 -6.511) 6.907 2.974 ( -0.522 -1.220 4.234) 4.437 4.403 ( -10.953 -6.752 -3.892) 13.442 5.582 ( -6.763 9.596 1.549) 11.842 6.710 ( 5.766 5.161 -3.880) 8.656 10.402 ( -4.451 -8.846 7.617) 12.493 10.971 ( -7.621 9.699 -15.360) 19.700 13.429 ( -2.908 1.061 8.289) 8.848 14.494 ( -0.936 -5.310 8.537) 10.098 15.514 ( 4.815 3.080 -9.129) 10.771 19.026 ( 7.909 4.661 -17.952) 20.163 20.051 ( -7.824 -6.407 19.171) 21.675 ======================= Grid point 1308 (464/781) ======================= q-point: (-0.25 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 2.591 2.018 -8.153) 8.789 2.959 ( -1.361 -1.168 4.246) 4.609 4.104 ( -14.921 -7.992 -0.872) 16.949 5.516 ( -11.314 6.998 1.852) 13.432 6.917 ( 12.575 7.916 -5.464) 15.832 10.133 ( -15.926 -14.988 7.281) 23.049 10.879 ( -8.845 9.527 -15.589) 20.298 13.366 ( -6.602 -2.531 8.368) 10.955 14.380 ( -7.661 -7.846 8.531) 13.894 15.613 ( 5.684 3.268 -7.739) 10.143 19.107 ( 3.482 2.454 -20.697) 21.131 19.970 ( -2.326 -3.500 21.340) 21.750 ======================= Grid point 1309 (465/781) ======================= q-point: (-0.20 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 2.163 1.750 -11.423) 11.757 2.927 ( -2.865 -1.077 4.328) 5.301 3.753 ( -17.772 -8.697 7.691) 21.228 5.350 ( -15.394 4.443 1.711) 16.113 7.237 ( 17.039 9.334 -8.902) 21.370 9.636 ( -25.096 -19.248 7.979) 32.619 10.772 ( -9.540 9.705 -15.261) 20.448 13.209 ( -9.302 -6.931 8.342) 14.288 14.143 ( -13.584 -8.747 8.276) 18.153 15.709 ( 4.512 2.602 -7.111) 8.815 19.063 ( -2.188 -0.715 -20.004) 20.136 20.038 ( 4.582 0.398 20.196) 20.713 ======================= Grid point 1310 (466/781) ======================= q-point: (-0.15 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -2.018 -0.187 -15.632) 15.762 2.861 ( -5.424 -1.068 4.332) 7.023 3.412 ( -16.814 -7.856 20.914) 27.961 5.100 ( -18.233 2.022 1.010) 18.373 7.566 ( 13.028 7.179 -14.430) 20.724 9.014 ( -26.324 -19.270 10.727) 34.341 10.663 ( -9.577 10.298 -14.377) 20.111 12.971 ( -10.730 -12.194 8.302) 18.241 13.808 ( -19.106 -7.963 7.829) 22.130 15.764 ( 2.003 1.434 -7.536) 7.928 18.930 ( -4.610 -2.092 -17.739) 18.448 20.227 ( 8.687 2.725 17.962) 20.137 ======================= Grid point 1318 (467/781) ======================= q-point: ( 0.25 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 0.000 27.026 14.144) 30.504 2.081 ( 0.000 21.719 19.546) 29.220 3.527 ( 0.000 9.366 74.092) 74.682 3.758 ( -0.000 6.207 -12.503) 13.959 4.033 ( -0.000 32.529 -14.156) 35.476 9.600 ( -0.000 -12.274 -24.784) 27.656 10.378 ( 0.000 -6.713 -1.834) 6.959 11.561 ( 0.000 25.489 9.947) 27.361 11.838 ( -0.000 14.141 2.250) 14.319 13.377 ( -0.000 59.476 -55.004) 81.011 19.877 ( 0.000 -44.657 14.147) 46.845 21.732 ( 0.000 -13.156 24.947) 28.204 ======================= Grid point 1319 (468/781) ======================= q-point: ( 0.30 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 9.825 24.687 13.907) 29.989 2.319 ( 3.300 7.661 19.862) 21.542 3.772 ( -0.513 8.076 8.152) 11.487 3.830 ( 1.960 7.634 38.981) 39.770 4.550 ( 18.550 44.707 -5.612) 48.727 9.351 ( -5.717 -13.342 -24.719) 28.666 10.470 ( 17.696 -6.584 -2.068) 18.995 11.621 ( -17.733 20.444 5.597) 27.636 12.108 ( 7.107 25.026 3.885) 26.303 13.931 ( 18.691 42.736 -45.189) 64.944 19.423 ( -9.487 -34.840 9.903) 37.442 21.645 ( -3.952 -11.423 22.693) 25.712 ======================= Grid point 1320 (469/781) ======================= q-point: ( 0.35 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 9.368 18.182 13.611) 24.568 2.462 ( 4.033 1.101 15.550) 16.102 3.886 ( 3.481 13.489 -7.643) 15.890 4.072 ( 2.179 7.420 47.291) 47.919 5.402 ( 30.614 43.095 -2.025) 52.901 9.017 ( -9.744 -13.515 -22.496) 27.994 10.782 ( 25.908 -5.936 -3.297) 26.783 11.537 ( -15.112 19.469 3.652) 24.915 12.500 ( 6.680 27.971 4.194) 29.062 14.484 ( 18.783 28.220 -33.918) 47.953 18.989 ( -9.745 -23.739 2.671) 25.800 21.516 ( -6.103 -10.378 20.760) 23.999 ======================= Grid point 1321 (470/781) ======================= q-point: ( 0.40 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 2.338 -2.276 9.498) 10.042 2.730 ( 5.851 11.416 11.024) 16.914 4.121 ( 7.557 17.439 -0.418) 19.010 4.326 ( 3.199 9.937 38.651) 40.036 6.338 ( 35.390 33.881 -4.803) 49.229 8.652 ( -11.541 -11.063 -16.726) 23.137 11.126 ( 15.616 1.684 -8.036) 17.643 11.577 ( 2.166 13.269 6.632) 14.991 12.889 ( 6.549 26.193 3.838) 27.270 14.907 ( 14.547 18.710 -24.789) 34.295 18.662 ( -6.407 -14.641 -4.219) 16.529 21.362 ( -7.503 -9.738 19.147) 22.754 ======================= Grid point 1322 (471/781) ======================= q-point: ( 0.45 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 1.758 -3.243 3.918) 5.381 2.897 ( 1.596 5.784 7.578) 9.666 4.428 ( 6.689 10.696 21.889) 25.264 4.616 ( 5.645 19.773 14.688) 25.270 7.124 ( 27.813 15.210 -17.122) 36.029 8.400 ( -4.019 0.592 -1.370) 4.287 11.251 ( -3.953 14.331 -10.389) 18.137 11.926 ( 23.862 3.000 7.714) 25.257 13.248 ( 7.062 21.891 3.518) 23.269 15.196 ( 9.574 12.174 -18.438) 24.080 18.467 ( -1.750 -7.442 -8.938) 11.762 21.187 ( -8.551 -9.351 17.736) 21.797 ======================= Grid point 1323 (472/781) ======================= q-point: ( 0.50 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 1.037 -3.036 -0.174) 3.213 2.963 ( -0.243 2.445 5.421) 5.952 4.647 ( 3.126 2.050 30.779) 31.005 4.977 ( 6.367 27.055 0.397) 27.797 7.303 ( 0.499 -7.269 -28.094) 29.024 8.684 ( 21.501 17.418 13.493) 30.785 11.276 ( -7.268 17.605 -11.207) 22.099 12.397 ( 25.000 2.691 7.442) 26.223 13.572 ( 8.231 16.132 3.628) 18.470 15.364 ( 4.924 7.473 -14.523) 17.059 18.403 ( 2.939 -2.025 -11.300) 11.850 20.996 ( -9.418 -9.189 16.481) 21.089 ======================= Grid point 1324 (473/781) ======================= q-point: ( 0.55 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 0.461 -2.163 -2.870) 3.624 2.982 ( -0.650 0.378 4.568) 4.630 4.758 ( 0.474 -1.700 22.592) 22.661 5.326 ( 3.485 26.493 -0.325) 26.723 7.065 ( -7.731 -7.356 -21.803) 24.275 9.312 ( 26.815 13.662 12.303) 32.512 11.289 ( -7.973 18.490 -12.399) 23.647 12.838 ( 19.888 4.748 7.506) 21.781 13.862 ( 9.880 9.696 4.510) 14.559 15.432 ( 1.432 4.226 -12.324) 13.107 18.450 ( 6.564 1.612 -12.093) 13.854 20.789 ( -10.053 -9.158 15.447) 20.580 ======================= Grid point 1325 (474/781) ======================= q-point: ( 0.60 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 0.260 -0.923 -4.566) 4.665 2.982 ( -0.422 -0.986 4.394) 4.523 4.762 ( -2.303 -4.278 11.176) 12.187 5.596 ( -0.373 23.223 0.748) 23.238 6.834 ( -7.413 -1.811 -14.264) 16.176 9.863 ( 22.475 5.759 10.539) 25.482 11.291 ( -8.792 18.697 -13.534) 24.699 13.189 ( 12.402 6.474 7.346) 15.802 14.119 ( 11.024 3.297 6.279) 13.108 15.436 ( -0.220 2.434 -11.123) 11.388 18.571 ( 8.626 3.727 -12.420) 15.574 20.572 ( -10.259 -9.109 14.829) 20.202 ======================= Grid point 1326 (475/781) ======================= q-point: ( 0.65 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 0.515 0.390 -5.699) 5.735 2.977 ( -0.023 -1.756 4.479) 4.811 4.667 ( -5.194 -5.731 1.599) 7.898 5.767 ( -4.031 18.878 1.910) 19.398 6.711 ( -4.625 4.283 -8.444) 10.537 10.221 ( 14.213 -2.419 9.172) 17.087 11.274 ( -10.047 18.654 -14.358) 25.595 13.418 ( 4.820 6.327 6.965) 10.572 14.323 ( 9.641 -2.382 8.400) 13.007 15.425 ( 0.440 2.211 -10.364) 10.606 18.729 ( 9.238 4.783 -13.226) 16.827 20.358 ( -9.769 -8.883 14.991) 19.977 ======================= Grid point 1327 (476/781) ======================= q-point: (-0.30 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 1.136 1.502 -6.709) 6.969 2.974 ( 0.192 -1.965 4.624) 5.027 4.492 ( -8.269 -6.193 -2.813) 10.707 5.843 ( -7.432 15.447 2.568) 17.333 6.709 ( -0.465 8.298 -5.790) 10.129 10.338 ( 3.712 -9.941 8.014) 13.297 11.231 ( -11.553 18.566 -14.717) 26.358 13.515 ( -1.492 3.776 6.736) 7.865 14.429 ( 4.722 -6.757 9.599) 12.653 15.449 ( 3.065 3.075 -9.384) 10.340 18.887 ( 8.440 5.033 -15.252) 18.144 20.167 ( -8.114 -8.225 16.469) 20.117 ======================= Grid point 1328 (477/781) ======================= q-point: (-0.25 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 1.805 2.195 -8.066) 8.552 2.971 ( -0.067 -1.743 4.750) 5.060 4.257 ( -11.671 -6.268 -1.232) 13.305 5.831 ( -11.803 13.616 2.488) 18.190 6.822 ( 5.610 9.606 -6.050) 12.663 10.201 ( -7.472 -16.019 7.223) 19.095 11.161 ( -13.003 18.590 -14.605) 26.981 13.482 ( -6.380 -0.876 6.862) 9.411 14.404 ( -1.671 -8.887 9.200) 12.900 15.530 ( 5.259 3.617 -8.010) 10.242 19.004 ( 5.457 4.078 -18.620) 19.827 20.038 ( -4.239 -6.487 19.368) 20.861 ======================= Grid point 1329 (478/781) ======================= q-point: (-0.20 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 1.847 2.294 -10.214) 10.630 2.962 ( -0.983 -1.284 4.820) 5.084 3.976 ( -14.872 -6.203 5.660) 17.079 5.719 ( -17.026 11.819 1.931) 20.816 7.048 ( 12.281 9.730 -8.377) 17.767 9.829 ( -17.736 -20.043 7.224) 27.722 11.072 ( -14.081 18.866 -14.114) 27.448 13.326 ( -9.932 -7.104 7.285) 14.220 14.263 ( -7.647 -8.627 7.925) 13.990 15.634 ( 5.248 3.317 -7.082) 9.418 19.023 ( 0.170 1.552 -20.887) 20.946 20.030 ( 2.083 -3.200 21.294) 21.634 ======================= Grid point 1330 (479/781) ======================= q-point: (-0.15 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 0.029 1.660 -12.859) 12.966 2.937 ( -2.729 -0.744 4.696) 5.482 3.683 ( -16.332 -5.707 16.844) 24.147 5.500 ( -21.454 9.100 0.970) 23.324 7.354 ( 15.546 9.267 -12.391) 21.934 9.282 ( -24.835 -21.470 8.600) 33.937 10.976 ( -14.510 19.468 -13.245) 27.658 13.057 ( -12.133 -14.054 7.819) 20.146 14.032 ( -13.170 -6.799 6.422) 16.153 15.716 ( 3.359 2.489 -7.146) 8.279 18.931 ( -3.748 -0.553 -20.144) 20.497 20.160 ( 7.397 -0.200 20.552) 21.844 ======================= Grid point 1339 (480/781) ======================= q-point: ( 0.30 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 0.000 23.894 13.928) 27.657 2.405 ( 0.000 2.869 17.605) 17.837 3.837 ( -0.000 10.079 -13.955) 17.214 4.034 ( 0.000 5.598 56.999) 57.273 4.869 ( -0.000 52.799 -3.024) 52.886 9.194 ( -0.000 -13.746 -25.191) 28.697 10.261 ( 0.000 -4.364 -1.085) 4.497 12.138 ( -0.000 15.491 1.469) 15.560 12.147 ( -0.000 28.652 7.609) 29.645 14.078 ( -0.000 42.792 -41.217) 59.414 19.185 ( 0.000 -32.979 6.698) 33.652 21.626 ( 0.000 -11.993 21.379) 24.514 ======================= Grid point 1340 (481/781) ======================= q-point: ( 0.35 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 0.982 -1.069 14.036) 14.111 2.475 ( 6.660 18.906 13.630) 24.239 3.933 ( 3.156 14.008 -12.968) 19.348 4.257 ( 0.962 5.848 52.531) 52.864 5.487 ( 12.940 50.015 -2.751) 51.735 8.947 ( -5.124 -12.607 -23.022) 26.744 10.362 ( 15.953 -3.728 -0.926) 16.409 12.050 ( -18.717 21.130 1.673) 28.277 12.621 ( 11.003 24.930 4.700) 27.653 14.440 ( 9.918 32.946 -32.886) 47.595 18.868 ( -4.187 -25.495 1.752) 25.896 21.545 ( -2.984 -11.593 19.784) 23.124 ======================= Grid point 1341 (482/781) ======================= q-point: ( 0.40 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 1.129 -3.309 9.647) 10.261 2.778 ( 5.643 11.781 11.401) 17.338 4.160 ( 8.079 18.962 -6.930) 21.745 4.489 ( 2.180 7.233 45.167) 45.795 6.201 ( 20.522 38.591 -6.442) 44.181 8.669 ( -7.838 -8.132 -17.053) 20.454 10.683 ( 25.231 -2.932 -1.481) 25.444 11.964 ( -16.536 22.628 0.423) 28.029 13.026 ( 7.619 23.664 3.674) 25.131 14.815 ( 11.549 22.805 -24.504) 35.410 18.585 ( -4.170 -16.973 -3.486) 17.822 21.421 ( -5.082 -10.959 18.147) 21.800 ======================= Grid point 1342 (483/781) ======================= q-point: ( 0.45 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 1.288 -3.941 5.389) 6.799 2.949 ( 1.667 5.743 7.506) 9.597 4.486 ( 7.569 14.457 12.912) 20.809 4.757 ( 5.661 15.892 24.241) 29.533 6.816 ( 20.815 18.051 -16.326) 32.025 8.487 ( -4.870 3.972 -4.419) 7.683 11.099 ( 24.964 0.155 -4.012) 25.284 11.959 ( -9.042 21.887 1.600) 23.735 13.361 ( 5.637 20.428 2.783) 21.374 15.115 ( 9.423 14.994 -17.830) 25.130 18.389 ( -1.719 -9.339 -7.526) 12.116 21.269 ( -6.625 -10.409 16.548) 20.641 ======================= Grid point 1343 (484/781) ======================= q-point: ( 0.50 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 1.257 -3.755 1.814) 4.356 3.010 ( -0.665 2.413 4.745) 5.364 4.711 ( 2.452 2.491 28.625) 28.838 5.140 ( 8.093 27.715 4.226) 29.180 7.073 ( 9.199 -3.903 -26.794) 28.597 8.639 ( 8.806 18.479 9.729) 22.665 11.430 ( 9.317 9.850 -9.751) 16.701 12.142 ( 9.226 14.613 6.275) 18.386 13.633 ( 4.814 15.939 2.434) 16.827 15.316 ( 5.803 9.318 -13.245) 17.202 18.304 ( 1.884 -3.293 -9.782) 10.492 21.094 ( -7.858 -10.082 15.031) 19.731 ======================= Grid point 1344 (485/781) ======================= q-point: ( 0.55 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 1.126 -2.925 -0.971) 3.282 3.016 ( -1.464 0.404 3.606) 3.913 4.801 ( -0.266 -2.785 23.297) 23.465 5.541 ( 4.568 29.082 1.706) 29.488 6.997 ( 0.122 -6.596 -24.570) 25.440 9.100 ( 18.634 16.433 12.372) 27.755 11.565 ( -4.195 18.639 -12.716) 22.950 12.549 ( 21.016 8.246 8.255) 24.037 13.851 ( 4.950 10.674 2.960) 12.133 15.418 ( 2.113 5.379 -10.514) 11.997 18.326 ( 5.417 0.910 -10.549) 11.894 20.897 ( -8.822 -9.962 13.689) 19.091 ======================= Grid point 1345 (486/781) ======================= q-point: ( 0.60 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 1.010 -1.596 -3.103) 3.632 2.998 ( -1.345 -1.070 3.500) 3.900 4.789 ( -2.446 -5.664 12.991) 14.381 5.846 ( -0.278 24.383 2.486) 24.511 6.879 ( -2.812 1.714 -17.886) 18.187 9.587 ( 20.139 7.278 11.181) 24.157 11.612 ( -8.763 22.000 -13.520) 27.269 13.000 ( 19.678 7.178 7.789) 22.348 14.028 ( 5.934 4.617 4.658) 8.845 15.441 ( -0.429 3.026 -9.105) 9.604 18.432 ( 7.897 3.442 -10.647) 13.696 20.685 ( -9.377 -9.928 12.706) 18.653 ======================= Grid point 1346 (487/781) ======================= q-point: ( 0.65 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 0.978 -0.023 -4.775) 4.875 2.975 ( -0.666 -2.131 3.896) 4.491 4.694 ( -4.293 -6.637 3.694) 8.725 6.017 ( -3.425 15.985 3.532) 16.725 6.846 ( -4.654 13.002 -11.962) 18.270 9.956 ( 16.650 -2.415 9.716) 19.428 11.625 ( -11.117 23.411 -13.792) 29.358 13.366 ( 12.231 7.431 6.129) 15.569 14.170 ( 7.441 -2.169 7.626) 10.874 15.425 ( -0.969 2.252 -8.469) 8.816 18.585 ( 8.983 4.803 -10.971) 14.971 20.467 ( -9.280 -9.829 12.395) 18.340 ======================= Grid point 1347 (488/781) ======================= q-point: ( 0.70 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 1.066 1.435 -6.181) 6.434 2.960 ( 0.215 -2.675 4.407) 5.160 4.546 ( -6.065 -6.086 -1.437) 8.712 6.085 ( -4.137 10.050 4.129) 11.626 6.885 ( -6.796 19.824 -8.592) 22.649 10.143 ( 9.733 -10.874 8.408) 16.842 11.612 ( -13.131 24.124 -13.689) 30.689 13.574 ( 2.667 5.934 4.152) 7.718 14.276 ( 7.545 -7.981 10.499) 15.194 15.420 ( 0.784 2.818 -7.984) 8.503 18.753 ( 8.680 5.446 -12.311) 16.018 20.261 ( -8.178 -9.492 13.259) 18.242 ======================= Grid point 1348 (489/781) ======================= q-point: (-0.25 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 1.252 2.439 -7.533) 8.016 2.956 ( 0.827 -2.667 4.775) 5.532 4.367 ( -8.357 -4.984 -1.343) 9.823 6.111 ( -5.178 8.771 3.957) 10.927 6.942 ( -6.503 20.138 -7.772) 22.544 10.117 ( 0.651 -17.128 7.400) 18.669 11.572 ( -14.987 24.522 -13.245) 31.644 13.595 ( -5.101 0.600 3.807) 6.393 14.318 ( 4.092 -10.170 10.528) 15.199 15.467 ( 3.598 3.677 -7.016) 8.700 18.898 ( 6.609 5.334 -15.291) 17.491 20.097 ( -5.363 -8.529 15.864) 18.792 ======================= Grid point 1349 (490/781) ======================= q-point: (-0.20 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 1.298 2.839 -9.062) 9.585 2.961 ( 0.769 -2.261 4.883) 5.436 4.161 ( -11.213 -3.979 3.691) 12.458 6.088 ( -10.259 9.892 3.114) 14.587 7.029 ( -0.648 16.417 -8.909) 18.690 9.880 ( -9.151 -20.519 6.963) 23.521 11.508 ( -16.465 24.794 -12.560) 32.305 13.445 ( -10.193 -7.251 5.068) 13.496 14.276 ( -1.239 -8.971 7.997) 12.082 15.561 ( 5.034 3.797 -5.966) 8.681 18.970 ( 2.125 3.879 -19.123) 19.628 20.027 ( -0.044 -6.232 19.455) 20.429 ======================= Grid point 1350 (491/781) ======================= q-point: (-0.15 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 0.602 2.727 -10.694) 11.053 2.962 ( -0.116 -1.693 4.702) 4.999 3.939 ( -13.690 -3.109 12.724) 18.947 5.952 ( -18.470 9.756 1.722) 20.959 7.205 ( 8.377 12.406 -11.428) 18.833 9.465 ( -18.190 -20.891 7.460) 28.687 11.430 ( -17.285 25.098 -11.718) 32.649 13.152 ( -13.329 -15.027 6.526) 21.120 14.152 ( -6.717 -6.668 5.165) 10.782 15.660 ( 4.291 3.231 -5.742) 7.863 18.931 ( -2.717 1.697 -20.737) 20.983 20.093 ( 5.886 -3.131 21.087) 22.116 ======================= Grid point 1360 (492/781) ======================= q-point: ( 0.35 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 0.000 -3.101 11.638) 12.044 2.632 ( 0.000 16.522 13.100) 21.085 4.003 ( -0.000 15.771 -14.132) 21.177 4.455 ( 0.000 4.456 53.068) 53.255 5.863 ( -0.000 48.358 -5.378) 48.656 8.818 ( -0.000 -9.073 -20.901) 22.786 10.195 ( 0.000 -2.238 0.232) 2.250 12.453 ( -0.000 16.137 0.449) 16.143 12.741 ( -0.000 28.506 3.929) 28.775 14.581 ( -0.000 29.997 -28.602) 41.447 18.669 ( 0.000 -21.797 -0.624) 21.806 21.511 ( 0.000 -11.841 18.430) 21.906 ======================= Grid point 1361 (493/781) ======================= q-point: ( 0.40 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 0.275 -4.152 8.808) 9.741 2.842 ( 3.529 10.889 11.084) 15.934 4.188 ( 6.596 19.419 -11.333) 23.431 4.652 ( 1.111 3.617 49.377) 49.522 6.327 ( 6.947 36.654 -10.636) 38.793 8.674 ( -3.982 -1.037 -14.502) 15.075 10.311 ( 15.053 -1.501 0.658) 15.142 12.456 ( -14.855 20.126 -0.551) 25.020 13.122 ( 8.554 24.240 2.350) 25.812 14.820 ( 5.971 22.540 -22.722) 32.557 18.463 ( -1.710 -15.300 -3.647) 15.822 21.427 ( -2.485 -11.500 16.847) 20.548 ======================= Grid point 1362 (494/781) ======================= q-point: ( 0.45 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 0.615 -4.495 5.903) 7.445 2.995 ( 1.810 5.421 7.330) 9.295 4.516 ( 10.059 18.358 0.592) 20.942 4.867 ( 4.800 6.996 36.367) 37.344 6.688 ( 8.963 16.279 -18.955) 26.545 8.627 ( -3.840 12.679 -3.690) 13.752 10.646 ( 24.779 -0.627 0.419) 24.791 12.406 ( -14.790 22.868 -1.664) 27.284 13.467 ( 5.849 20.270 1.347) 21.140 15.065 ( 7.830 15.014 -16.909) 23.930 18.306 ( -1.271 -8.468 -6.305) 10.634 21.305 ( -4.475 -10.990 15.140) 19.236 ======================= Grid point 1363 (495/781) ======================= q-point: ( 0.50 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 0.965 -4.271 3.227) 5.439 3.057 ( -0.549 2.271 4.146) 4.759 4.774 ( 2.709 3.478 23.370) 23.782 5.229 ( 13.070 21.784 9.995) 27.300 6.821 ( 7.069 -1.942 -24.981) 26.034 8.787 ( 1.041 23.296 5.910) 24.056 11.098 ( 27.387 1.355 -1.137) 27.444 12.409 ( -10.701 23.634 -1.223) 25.973 13.724 ( 3.479 16.108 0.726) 16.495 15.265 ( 6.709 9.104 -12.144) 16.594 18.225 ( 0.746 -2.716 -7.965) 8.449 21.152 ( -6.109 -10.591 13.401) 18.140 ======================= Grid point 1364 (496/781) ======================= q-point: ( 0.55 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 1.276 -3.518 0.915) 3.852 3.057 ( -1.838 0.463 2.537) 3.167 4.845 ( -0.930 -4.131 22.462) 22.857 5.705 ( 10.570 26.837 4.309) 29.163 6.801 ( 5.971 -6.367 -24.211) 25.737 9.104 ( 6.601 21.464 9.556) 24.405 11.540 ( 20.008 6.596 -5.443) 21.759 12.522 ( -0.805 20.580 2.246) 20.718 13.907 ( 2.154 11.641 0.838) 11.868 15.392 ( 3.898 4.947 -8.851) 10.864 18.232 ( 3.594 1.395 -8.558) 9.386 20.972 ( -7.449 -10.391 11.749) 17.364 ======================= Grid point 1365 (497/781) ======================= q-point: ( 0.60 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 1.532 -2.262 -1.063) 2.931 3.027 ( -2.197 -0.888 2.142) 3.194 4.809 ( -2.729 -7.272 13.628) 15.686 6.066 ( 1.886 20.535 4.509) 21.109 6.824 ( 7.176 4.238 -19.319) 21.040 9.443 ( 10.305 11.838 9.911) 18.562 11.833 ( 4.712 15.634 -10.609) 19.473 12.807 ( 12.825 13.356 6.594) 19.656 14.031 ( 1.583 6.586 1.912) 7.038 15.444 ( 0.919 2.441 -6.927) 7.402 18.318 ( 6.288 3.910 -8.486) 11.262 20.770 ( -8.403 -10.331 10.369) 16.877 ======================= Grid point 1366 (498/781) ======================= q-point: ( 0.65 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 1.677 -0.615 -2.838) 3.353 2.984 ( -1.788 -2.031 2.512) 3.692 4.705 ( -3.790 -7.753 5.196) 10.073 6.195 ( -2.710 7.863 3.563) 9.048 7.008 ( 3.309 21.643 -12.704) 25.313 9.718 ( 11.715 -0.046 9.230) 14.914 11.969 ( -5.442 22.080 -12.343) 25.874 13.199 ( 17.007 8.560 6.855) 20.236 14.101 ( 1.691 0.340 4.300) 4.633 15.441 ( -0.862 1.520 -5.977) 6.228 18.461 ( 8.026 5.281 -8.413) 12.771 20.553 ( -8.757 -10.288 9.541) 16.540 ======================= Grid point 1367 (499/781) ======================= q-point: ( 0.70 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 1.606 1.157 -4.536) 4.949 2.946 ( -0.730 -2.917 3.283) 4.451 4.572 ( -4.492 -6.334 0.039) 7.765 6.205 ( -2.315 2.620 3.452) 4.913 7.221 ( -4.924 29.623 -9.010) 31.352 9.879 ( 10.456 -10.900 8.313) 17.240 12.026 ( -10.565 25.252 -12.151) 29.949 13.536 ( 10.999 6.849 3.373) 13.389 14.125 ( 3.359 -7.318 8.641) 11.811 15.425 ( -0.607 1.972 -5.523) 5.895 18.632 ( 8.457 6.042 -9.070) 13.795 20.337 ( -8.210 -10.138 9.706) 16.260 ======================= Grid point 1368 (500/781) ======================= q-point: (-0.25 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 1.288 2.628 -6.183) 6.841 2.925 ( 0.633 -3.374 4.074) 5.328 4.435 ( -5.541 -4.200 -1.005) 7.025 6.207 ( -0.769 1.505 3.417) 3.812 7.347 ( -12.088 30.455 -7.848) 33.693 9.901 ( 6.297 -18.423 7.494) 20.862 12.037 ( -13.956 26.810 -11.436) 32.316 13.676 ( -1.409 2.704 -0.485) 3.087 14.144 ( 6.903 -12.003 12.222) 18.469 15.440 ( 1.551 3.084 -4.968) 6.049 18.799 ( 7.267 6.412 -11.246) 14.846 20.146 ( -6.236 -9.678 11.546) 16.305 ======================= Grid point 1369 (501/781) ======================= q-point: (-0.20 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 0.870 3.410 -7.681) 8.449 2.925 ( 1.643 -3.289 4.511) 5.819 4.296 ( -7.447 -2.261 2.091) 8.059 6.228 ( -0.163 1.974 2.889) 3.503 7.365 ( -15.193 26.325 -8.362) 31.524 9.778 ( -0.449 -21.191 7.000) 22.322 12.012 ( -16.478 27.421 -10.659) 33.720 13.552 ( -9.668 -7.380 1.644) 12.273 14.178 ( 4.978 -9.525 8.828) 13.908 15.507 ( 3.845 3.711 -4.160) 6.772 18.918 ( 3.741 5.988 -15.340) 16.887 20.024 ( -1.949 -8.370 15.458) 17.687 ======================= Grid point 1370 (502/781) ======================= q-point: (-0.15 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 0.408 3.510 -8.887) 9.564 2.939 ( 1.734 -2.797 4.448) 5.533 4.151 ( -9.908 -0.825 8.831) 13.298 6.228 ( -4.985 2.941 2.051) 6.141 7.331 ( -10.139 18.659 -10.312) 23.607 9.522 ( -8.922 -19.103 7.031) 22.225 11.956 ( -18.061 27.380 -10.005) 34.292 13.247 ( -13.604 -15.827 4.611) 21.374 14.159 ( -0.315 -6.732 4.458) 8.081 15.604 ( 4.460 3.407 -3.872) 6.818 18.937 ( -1.509 4.364 -19.205) 19.752 20.024 ( 4.172 -5.785 19.367) 20.639 ======================= Grid point 1381 (503/781) ======================= q-point: ( 0.40 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 0.000 -4.762 7.402) 8.802 2.938 ( 0.000 8.321 9.596) 12.701 4.286 ( -0.000 20.597 -11.491) 23.585 4.807 ( 0.000 0.655 48.567) 48.571 6.545 ( -0.000 25.042 -16.600) 30.044 8.717 ( -0.000 10.910 -8.597) 13.890 10.175 ( 0.000 -0.538 2.000) 2.072 12.766 ( -0.000 15.955 -0.652) 15.968 13.291 ( -0.000 26.605 0.344) 26.608 14.908 ( -0.000 18.049 -19.588) 26.635 18.336 ( -0.000 -10.777 -4.429) 11.652 21.382 ( 0.000 -11.448 15.277) 19.090 ======================= Grid point 1382 (504/781) ======================= q-point: ( 0.45 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 0.171 -4.920 5.741) 7.563 3.040 ( 1.112 4.758 6.684) 8.279 4.533 ( 8.089 20.633 -6.867) 23.202 4.952 ( 2.205 -0.779 42.073) 42.138 6.674 ( 1.704 9.287 -21.809) 23.766 8.849 ( -2.426 23.543 -1.239) 23.700 10.308 ( 14.646 0.151 2.591) 14.874 12.823 ( -10.004 18.233 -1.785) 20.874 13.585 ( 4.240 22.718 -0.652) 23.120 15.045 ( 4.545 12.148 -15.576) 20.269 18.236 ( -0.643 -5.399 -5.357) 7.633 21.295 ( -2.228 -11.084 13.490) 17.601 ======================= Grid point 1383 (505/781) ======================= q-point: ( 0.50 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 0.537 -4.638 4.045) 6.178 3.096 ( -0.223 2.130 3.603) 4.192 4.820 ( 4.178 6.873 13.603) 15.803 5.192 ( 13.818 10.619 17.710) 24.846 6.666 ( 1.406 -1.512 -22.836) 22.929 9.074 ( -2.511 29.208 3.750) 29.554 10.659 ( 24.567 1.025 2.424) 24.708 12.820 ( -11.328 20.727 -2.772) 23.783 13.838 ( 2.348 18.021 -1.159) 18.210 15.195 ( 6.577 6.989 -11.379) 14.885 18.183 ( -0.112 -0.672 -5.992) 6.030 21.172 ( -4.193 -10.693 11.565) 16.300 ======================= Grid point 1384 (506/781) ======================= q-point: ( 0.55 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 1.047 -3.926 2.453) 4.747 3.099 ( -1.717 0.571 1.621) 2.430 4.881 ( -1.428 -5.584 20.167) 20.974 5.694 ( 20.297 20.900 5.268) 29.607 6.593 ( 2.549 -5.291 -20.464) 21.290 9.328 ( -1.827 26.506 5.797) 27.194 11.136 ( 28.417 2.382 1.169) 28.541 12.843 ( -9.151 21.618 -2.340) 23.592 14.009 ( 0.230 13.722 -1.265) 13.782 15.324 ( 5.916 3.160 -7.851) 10.326 18.187 ( 1.551 2.766 -6.122) 6.894 21.015 ( -5.902 -10.429 9.628) 15.372 ======================= Grid point 1385 (507/781) ======================= q-point: ( 0.60 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 1.611 -2.777 0.999) 3.362 3.065 ( -2.598 -0.550 0.791) 2.771 4.817 ( -2.922 -9.012 13.180) 16.232 6.193 ( 8.140 17.934 7.114) 20.940 6.607 ( 13.641 1.220 -18.510) 23.025 9.541 ( -1.180 18.096 6.308) 19.200 11.635 ( 25.332 5.402 -1.853) 25.968 12.931 ( -3.753 19.995 0.306) 20.346 14.108 ( -1.369 9.306 -0.854) 9.445 15.405 ( 3.624 0.778 -5.407) 6.556 18.253 ( 3.888 4.893 -5.812) 8.535 20.828 ( -7.274 -10.300 7.859) 14.858 ======================= Grid point 1386 (508/781) ======================= q-point: ( 0.65 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 2.118 -1.222 -0.390) 2.476 3.011 ( -2.775 -1.550 0.798) 3.277 4.701 ( -3.389 -8.908 6.013) 11.269 6.294 ( -2.762 2.207 1.938) 4.032 7.010 ( 18.721 21.341 -9.149) 29.826 9.667 ( -0.203 6.166 6.295) 8.814 12.049 ( 14.612 11.793 -6.252) 19.791 13.118 ( 5.271 14.585 4.372) 16.113 14.138 ( -2.670 3.942 0.165) 4.764 15.434 ( 1.236 -0.040 -3.936) 4.125 18.376 ( 6.092 6.040 -5.400) 10.137 20.618 ( -8.124 -10.226 6.508) 14.592 ======================= Grid point 1387 (509/781) ======================= q-point: ( 0.70 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 2.363 0.618 -1.867) 3.074 2.951 ( -2.187 -2.501 1.390) 3.601 4.576 ( -3.364 -6.767 1.349) 7.676 6.259 ( -2.357 -0.462 1.667) 2.923 7.474 ( 8.776 28.889 -6.627) 30.911 9.691 ( 1.722 -7.301 6.309) 9.801 12.314 ( 1.725 19.525 -8.874) 21.516 13.398 ( 12.136 7.811 5.573) 15.471 14.094 ( -3.500 -3.040 2.443) 5.240 15.433 ( -0.007 0.539 -3.144) 3.189 18.538 ( 7.432 6.693 -5.426) 11.379 20.399 ( -8.185 -10.121 5.942) 14.309 ======================= Grid point 1388 (510/781) ======================= q-point: ( 0.75 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 2.055 2.482 -3.603) 4.834 2.902 ( -0.805 -3.356 2.380) 4.192 4.469 ( -3.432 -3.891 -0.340) 5.199 6.227 ( -0.994 -0.985 1.992) 2.435 7.798 ( -4.424 32.778 -6.619) 33.732 9.631 ( 4.567 -18.925 6.605) 20.559 12.452 ( -7.244 24.638 -8.866) 27.168 13.659 ( 8.407 4.496 -0.157) 9.535 13.986 ( -1.104 -12.161 8.675) 14.979 15.438 ( 0.544 1.892 -2.676) 3.322 18.715 ( 7.358 7.208 -6.631) 12.250 20.189 ( -7.042 -9.909 6.776) 13.917 ======================= Grid point 1389 (511/781) ======================= q-point: (-0.20 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 1.093 3.867 -5.541) 6.845 2.877 ( 1.075 -3.860 3.472) 5.302 4.381 ( -4.192 -1.233 1.013) 4.486 6.222 ( 0.938 -0.964 1.856) 2.293 7.904 ( -16.834 29.758 -7.472) 34.997 9.534 ( 5.943 -22.778 6.982) 24.554 12.506 ( -13.037 26.897 -8.197) 30.994 13.636 ( -8.861 -6.801 -3.109) 11.594 13.982 ( 9.685 -10.545 10.727) 17.890 15.479 ( 2.368 2.989 -2.239) 4.422 18.872 ( 5.110 7.509 -9.992) 13.504 20.023 ( -3.884 -9.359 9.954) 14.204 ======================= Grid point 1390 (512/781) ======================= q-point: (-0.15 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 0.038 4.235 -7.100) 8.267 2.882 ( 2.480 -3.620 4.054) 5.974 4.305 ( -5.881 0.747 5.346) 7.982 6.246 ( 1.958 -0.960 1.227) 2.502 7.778 ( -21.916 18.241 -8.502) 29.755 9.432 ( 1.693 -16.145 6.963) 17.664 12.492 ( -16.754 26.836 -8.102) 32.658 13.325 ( -13.044 -16.570 2.378) 21.222 14.059 ( 5.838 -6.823 4.446) 10.020 15.557 ( 3.779 3.040 -2.141) 5.302 18.954 ( 0.134 6.892 -15.286) 16.768 19.956 ( 1.945 -7.788 15.285) 17.265 ======================= Grid point 1402 (513/781) ======================= q-point: ( 0.45 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 0.000 -5.053 5.180) 7.237 3.089 ( 0.000 3.399 5.107) 6.135 4.641 ( -0.000 20.895 -7.854) 22.322 5.020 ( 0.000 -5.919 39.567) 40.007 6.654 ( -0.000 2.046 -22.089) 22.183 9.143 ( -0.000 31.308 1.003) 31.324 10.194 ( 0.000 0.589 4.110) 4.152 13.059 ( -0.000 14.789 -1.766) 14.894 13.775 ( -0.000 23.721 -2.346) 23.837 15.061 ( -0.000 8.014 -13.386) 15.602 18.193 ( -0.000 -1.598 -4.695) 4.959 21.244 ( 0.000 -10.842 11.594) 15.873 ======================= Grid point 1403 (514/781) ======================= q-point: ( 0.50 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 0.220 -4.775 4.417) 6.508 3.127 ( -0.078 1.812 2.847) 3.376 4.862 ( 3.661 12.200 2.755) 13.032 5.106 ( 8.051 -1.940 23.664) 25.071 6.588 ( -0.601 -1.662 -18.915) 18.997 9.437 ( -3.091 32.653 2.379) 32.885 10.344 ( 14.636 1.287 4.687) 15.422 13.139 ( -6.052 15.466 -2.635) 16.815 13.995 ( 0.552 20.482 -2.939) 20.700 15.123 ( 4.258 4.207 -10.270) 11.887 18.178 ( -0.301 1.743 -4.184) 4.542 21.153 ( -2.141 -10.478 9.495) 14.301 ======================= Grid point 1404 (515/781) ======================= q-point: ( 0.55 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 0.680 -4.090 3.590) 5.485 3.134 ( -1.224 0.621 0.861) 1.620 4.902 ( -2.168 -7.406 17.177) 18.831 5.493 ( 22.929 13.920 2.431) 26.933 6.502 ( -1.273 -2.430 -13.596) 13.870 9.676 ( -5.087 28.683 2.896) 29.274 10.710 ( 24.347 2.095 4.269) 24.807 13.169 ( -7.432 16.634 -3.032) 18.470 14.160 ( -1.358 16.514 -3.090) 16.855 15.217 ( 6.328 1.154 -6.968) 9.483 18.194 ( 0.189 4.177 -3.622) 5.532 21.024 ( -4.140 -10.153 7.299) 13.172 ======================= Grid point 1405 (516/781) ======================= q-point: ( 0.60 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 1.343 -3.022 2.778) 4.319 3.105 ( -2.418 -0.232 -0.316) 2.449 4.807 ( -2.949 -10.756 11.933) 16.333 6.085 ( 27.671 16.466 1.992) 32.261 6.425 ( -0.796 -2.498 -9.618) 9.969 9.830 ( -7.112 21.664 2.657) 22.956 11.199 ( 28.873 2.671 3.065) 29.157 13.207 ( -6.199 16.758 -1.914) 17.970 14.252 ( -3.562 12.658 -3.196) 13.532 15.307 ( 5.944 -0.965 -4.267) 7.380 18.247 ( 1.624 5.717 -2.890) 6.609 20.860 ( -5.895 -9.915 5.174) 12.643 ======================= Grid point 1406 (517/781) ======================= q-point: ( 0.65 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 2.095 -1.608 1.974) 3.297 3.050 ( -3.175 -0.969 -0.734) 3.400 4.681 ( -2.921 -9.893 6.211) 12.041 6.349 ( -2.776 -0.770 -1.271) 3.148 6.750 ( 30.154 16.297 -2.582) 34.374 9.863 ( -9.497 12.130 2.093) 15.547 11.727 ( 28.394 4.332 1.020) 28.741 13.281 ( -3.252 15.215 0.837) 15.581 14.264 ( -5.848 7.960 -3.448) 10.462 15.370 ( 4.227 -1.616 -2.371) 5.109 18.344 ( 3.659 6.561 -2.069) 7.793 20.665 ( -7.236 -9.724 3.337) 12.572 ======================= Grid point 1407 (518/781) ======================= q-point: ( 0.70 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 2.749 0.074 1.077) 2.954 2.979 ( -3.316 -1.700 -0.584) 3.772 4.563 ( -2.464 -7.191 2.299) 7.942 6.291 ( -2.428 -1.369 -0.471) 2.827 7.398 ( 26.168 19.473 -1.375) 32.647 9.755 ( -11.193 0.578 1.730) 11.341 12.222 ( 22.380 8.373 -1.697) 23.955 13.399 ( 1.144 11.122 4.333) 11.991 14.185 ( -7.991 1.784 -3.570) 8.932 15.407 ( 2.337 -0.759 -1.246) 2.755 18.484 ( 5.602 7.027 -1.469) 9.106 20.451 ( -7.927 -9.521 2.072) 12.561 ======================= Grid point 1408 (519/781) ======================= q-point: ( 0.75 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 2.993 1.903 -0.130) 3.549 2.906 ( -2.686 -2.497 0.033) 3.668 4.475 ( -1.928 -3.944 0.339) 4.403 6.241 ( -1.770 -1.508 0.328) 2.348 7.979 ( 17.142 24.377 -2.009) 29.869 9.517 ( -10.211 -12.694 2.216) 16.441 12.615 ( 11.407 15.127 -3.993) 19.362 13.555 ( 6.205 4.424 6.284) 9.877 14.008 ( -9.608 -5.742 -2.726) 11.521 15.433 ( 1.261 0.848 -0.767) 1.702 18.655 ( 6.686 7.454 -1.649) 10.148 20.232 ( -7.647 -9.292 1.840) 12.174 ======================= Grid point 1409 (520/781) ======================= q-point: (-0.20 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 2.320 3.712 -2.006) 4.815 2.846 ( -1.066 -3.406 1.242) 3.779 4.422 ( -1.747 -0.972 0.343) 2.028 6.208 ( -0.452 -1.535 0.703) 1.748 8.382 ( -2.966 30.291 -5.179) 30.873 9.229 ( 0.306 -25.650 5.082) 26.151 12.869 ( -1.250 21.975 -4.615) 22.489 13.702 ( -1.045 1.075 -7.284) 7.437 13.753 ( -0.160 -16.865 11.486) 20.405 15.468 ( 1.556 2.214 -0.661) 2.786 18.834 ( 6.039 8.028 -3.601) 10.671 20.034 ( -5.769 -9.069 3.570) 11.326 ======================= Grid point 1410 (521/781) ======================= q-point: (-0.15 0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 0.391 4.859 -4.623) 6.718 2.819 ( 1.555 -3.950 3.049) 5.226 4.395 ( -2.331 1.319 2.442) 3.624 6.202 ( 1.328 -1.681 0.657) 2.241 8.305 ( -25.610 10.189 -7.504) 28.566 9.195 ( 13.030 -10.508 6.932) 18.118 12.971 ( -11.933 24.336 -5.565) 27.670 13.376 ( -12.365 -17.645 -0.038) 21.546 13.864 ( 10.331 -6.877 4.713) 13.276 15.525 ( 2.606 2.571 -0.877) 3.764 18.973 ( 2.382 8.458 -8.709) 12.371 19.902 ( -1.068 -8.595 8.659) 12.248 ======================= Grid point 1423 (522/781) ======================= q-point: ( 0.50 0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 0.000 -4.556 4.493) 6.399 3.150 ( 0.000 1.197 1.614) 2.009 4.982 ( -0.000 17.659 -5.166) 18.399 5.023 ( 0.000 -13.151 25.310) 28.522 6.532 ( -0.000 -1.362 -13.568) 13.636 9.795 ( -0.000 32.525 1.114) 32.544 10.242 ( 0.000 1.055 6.404) 6.490 13.313 ( -0.000 12.534 -2.863) 12.857 14.184 ( -0.000 20.166 -3.903) 20.540 15.087 ( -0.000 1.808 -8.174) 8.372 18.198 ( -0.000 3.718 -2.693) 4.591 21.095 ( 0.000 -10.098 7.200) 12.402 ======================= Grid point 1424 (523/781) ======================= q-point: ( 0.55 0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 0.336 -3.928 4.394) 5.903 3.156 ( -0.616 0.492 0.100) 0.794 4.906 ( -3.170 -11.716 15.395) 19.604 5.278 ( 15.792 12.319 -1.596) 20.092 6.481 ( -1.155 -0.704 -7.820) 7.936 10.043 ( -4.971 26.677 0.962) 27.154 10.413 ( 14.886 2.899 6.167) 16.371 13.389 ( -3.437 11.884 -3.295) 12.802 14.345 ( -1.597 17.624 -4.167) 18.181 15.111 ( 4.031 -0.190 -5.367) 6.715 18.233 ( -0.171 5.085 -1.407) 5.279 20.998 ( -2.154 -9.691 4.758) 11.009 ======================= Grid point 1425 (524/781) ======================= q-point: ( 0.60 0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 0.919 -2.932 4.207) 5.209 3.137 ( -1.738 -0.082 -1.160) 2.092 4.775 ( -2.686 -12.406 10.274) 16.330 5.741 ( 25.641 11.233 -2.540) 28.108 6.435 ( -2.018 -0.001 -2.388) 3.126 10.171 ( -7.338 20.369 0.511) 21.657 10.786 ( 23.374 2.678 5.291) 24.114 13.427 ( -4.171 11.523 -2.627) 12.533 14.443 ( -4.121 14.668 -4.664) 15.934 15.177 ( 6.016 -1.885 -2.602) 6.820 18.285 ( 0.333 5.961 -0.135) 5.972 20.863 ( -4.199 -9.314 2.314) 10.475 ======================= Grid point 1426 (525/781) ======================= q-point: ( 0.65 0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 1.713 -1.648 3.970) 4.628 3.090 ( -2.858 -0.537 -1.883) 3.465 4.643 ( -2.317 -10.502 5.914) 12.273 6.273 ( 19.720 3.584 -10.649) 22.696 6.450 ( 9.714 6.701 9.175) 14.948 10.178 ( -11.568 13.198 -0.869) 17.571 11.269 ( 29.037 2.050 4.678) 29.483 13.466 ( -3.197 10.529 -0.382) 11.011 14.456 ( -7.262 10.580 -5.949) 14.144 15.256 ( 6.132 -2.209 -0.362) 6.528 18.363 ( 1.664 6.467 1.198) 6.784 20.691 ( -5.961 -8.945 0.051) 10.750 ======================= Grid point 1427 (526/781) ======================= q-point: ( 0.70 0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 2.582 -0.187 3.648) 4.473 3.022 ( -3.624 -0.947 -2.109) 4.299 4.534 ( -1.681 -7.469 2.749) 8.134 6.307 ( -1.276 -1.237 -3.433) 3.865 7.031 ( 32.866 10.946 4.120) 34.885 10.028 ( -16.097 4.648 -2.111) 16.887 11.812 ( 30.519 2.878 3.670) 30.873 13.522 ( -1.611 8.321 2.939) 8.970 14.363 ( -10.472 4.938 -7.599) 13.849 15.335 ( 4.867 -0.841 0.867) 5.014 18.476 ( 3.533 6.736 2.461) 7.994 20.491 ( -7.232 -8.534 -1.820) 11.334 ======================= Grid point 1428 (527/781) ======================= q-point: ( 0.75 0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 3.310 1.322 3.119) 4.737 2.941 ( -3.855 -1.367 -1.969) 4.540 4.460 ( -0.853 -4.282 0.663) 4.416 6.259 ( -2.017 -1.110 -1.501) 2.749 7.705 ( 32.639 10.710 3.625) 34.542 9.718 ( -20.144 -3.736 -3.003) 20.706 12.355 ( 27.769 5.094 2.349) 28.330 13.584 ( -0.193 4.049 6.651) 7.788 14.157 ( -13.240 -0.780 -9.257) 16.174 15.405 ( 3.003 0.979 1.032) 3.323 18.627 ( 5.324 6.965 3.296) 9.366 20.276 ( -7.765 -8.077 -3.011) 11.602 ======================= Grid point 1429 (528/781) ======================= q-point: (-0.20 -0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 3.555 2.802 2.146) 5.010 2.858 ( -3.382 -1.915 -1.470) 4.155 4.425 ( -0.055 -1.501 -0.320) 1.535 6.214 ( -1.666 -1.007 -0.593) 2.035 8.342 ( 29.164 9.954 4.079) 31.084 9.268 ( -23.685 -10.054 -3.870) 26.020 12.845 ( 21.258 9.065 1.042) 23.134 13.615 ( 0.513 -5.867 10.910) 12.398 13.862 ( -15.073 -2.426 -11.810) 19.302 15.463 ( 1.721 2.278 0.628) 2.924 18.805 ( 6.178 7.393 3.004) 10.092 20.062 ( -7.167 -7.699 -2.926) 10.918 ======================= Grid point 1430 (529/781) ======================= q-point: (-0.15 0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 2.540 4.399 0.000) 5.079 2.787 ( -1.672 -2.896 0.000) 3.344 4.424 ( 0.385 0.668 -0.000) 0.771 6.183 ( -0.635 -1.100 -0.000) 1.270 8.693 ( -15.788 -27.346 0.000) 31.576 8.913 ( 12.858 22.272 -0.000) 25.717 13.235 ( 9.260 16.038 -0.000) 18.519 13.399 ( -11.931 -20.666 0.000) 23.863 13.694 ( -0.564 -0.977 -0.000) 1.128 15.514 ( 1.530 2.649 -0.000) 3.059 18.982 ( 4.762 8.248 0.000) 9.524 19.881 ( -4.430 -7.674 -0.000) 8.861 ======================= Grid point 1445 (530/781) ======================= q-point: ( 0.55 0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 0.000 -3.387 4.945) 5.994 3.164 ( -0.000 0.176 -0.829) 0.848 4.842 ( 0.000 -15.373 12.711) 19.947 5.255 ( -0.000 12.817 -3.404) 13.261 6.472 ( -0.000 0.087 -3.658) 3.659 10.306 ( 0.000 0.849 8.687) 8.728 10.357 ( -0.000 24.404 -1.923) 24.479 13.507 ( -0.000 9.219 -3.925) 10.020 14.514 ( -0.000 16.328 -4.408) 16.912 15.059 ( -0.000 -1.013 -2.933) 3.102 18.286 ( -0.000 5.539 0.508) 5.562 20.935 ( 0.000 -9.162 2.060) 9.390 ======================= Grid point 1446 (531/781) ======================= q-point: ( 0.60 0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 0.472 -2.488 5.317) 5.889 3.153 ( -0.842 -0.168 -1.854) 2.043 4.713 ( -1.593 -13.390 8.401) 15.887 5.485 ( 14.699 9.524 -2.709) 17.723 6.460 ( -1.011 0.580 -0.329) 1.211 10.395 ( 3.016 6.370 6.389) 9.512 10.576 ( 5.473 12.312 -0.622) 13.488 13.559 ( -1.772 7.670 -3.843) 8.760 14.629 ( -2.598 14.102 -5.124) 15.227 15.071 ( 3.496 -1.895 0.041) 3.976 18.344 ( -0.018 5.768 2.309) 6.213 20.832 ( -2.197 -8.621 -0.680) 8.923 ======================= Grid point 1447 (532/781) ======================= q-point: ( 0.65 0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 1.169 -1.338 5.556) 5.834 3.120 ( -1.955 -0.405 -2.679) 3.341 4.589 ( -1.524 -10.552 5.179) 11.853 5.891 ( 24.141 6.018 -4.004) 25.200 6.458 ( -0.193 1.660 3.797) 4.148 10.458 ( -7.363 9.084 -0.839) 11.724 10.865 ( 21.104 1.938 5.075) 21.792 13.586 ( -1.801 6.231 -2.141) 6.831 14.656 ( -6.298 9.946 -7.377) 13.893 15.138 ( 5.702 -1.246 3.051) 6.586 18.414 ( 0.572 5.888 4.155) 7.229 20.690 ( -4.260 -8.048 -3.308) 9.688 ======================= Grid point 1448 (533/781) ======================= q-point: ( 0.70 0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 2.041 -0.088 5.667) 6.024 3.065 ( -3.061 -0.531 -3.124) 4.406 4.491 ( -0.987 -7.586 2.537) 8.060 6.242 ( 9.686 0.098 -7.722) 12.388 6.639 ( 20.922 5.697 9.539) 23.690 10.321 ( -14.395 2.814 -3.965) 15.193 11.329 ( 29.410 0.749 6.501) 30.129 13.611 ( -0.995 4.119 0.816) 4.315 14.562 ( -10.017 4.059 -9.405) 14.327 15.248 ( 5.832 1.090 4.094) 7.208 18.506 ( 1.880 5.907 6.046) 8.659 20.515 ( -5.988 -7.381 -5.665) 11.065 ======================= Grid point 1449 (534/781) ======================= q-point: (-0.25 -0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 2.944 1.099 5.598) 6.419 2.991 ( -3.894 -0.583 -3.238) 5.098 4.424 ( -0.091 -4.967 0.269) 4.975 6.271 ( -0.497 -0.293 -3.657) 3.702 7.211 ( 33.985 4.183 7.173) 34.985 10.017 ( -19.359 -3.406 -5.333) 20.367 11.880 ( 32.009 1.137 6.222) 32.628 13.630 ( -0.531 0.236 4.089) 4.130 14.353 ( -13.041 -0.320 -10.770) 16.917 15.366 ( 4.259 2.796 3.366) 6.107 18.630 ( 3.682 5.865 7.779) 10.415 20.316 ( -7.187 -6.583 -7.594) 12.356 ======================= Grid point 1450 (535/781) ======================= q-point: (-0.20 -0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 3.678 2.076 5.274) 6.757 2.906 ( -4.300 -0.592 -3.177) 5.379 4.393 ( 1.076 -2.910 -1.495) 3.444 6.239 ( -1.980 0.176 -1.829) 2.701 7.839 ( 34.438 -0.430 7.231) 35.192 9.593 ( -22.670 -5.794 -6.430) 24.266 12.446 ( 30.829 1.813 5.640) 31.393 13.595 ( -2.218 -8.104 5.816) 10.218 14.078 ( -14.383 0.185 -10.876) 18.033 15.460 ( 2.289 3.543 2.096) 4.710 18.789 ( 5.414 5.891 8.947) 12.003 20.106 ( -7.645 -5.742 -8.841) 13.022 ======================= Grid point 1466 (536/781) ======================= q-point: ( 0.60 0.60 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 0.000 -1.726 6.159) 6.396 3.151 ( -0.000 -0.407 -2.551) 2.583 4.621 ( 0.000 -12.322 6.231) 13.808 5.436 ( -0.000 7.369 -2.203) 7.691 6.478 ( 0.000 1.111 0.978) 1.480 10.373 ( 0.000 0.081 10.773) 10.774 10.694 ( -0.000 11.999 -5.343) 13.135 13.621 ( -0.000 5.054 -4.928) 7.059 14.763 ( -0.000 11.624 -6.093) 13.124 15.031 ( 0.000 -1.260 3.800) 4.004 18.409 ( 0.000 5.460 4.576) 7.124 20.764 ( -0.000 -7.897 -3.713) 8.727 ======================= Grid point 1467 (537/781) ======================= q-point: ( 0.65 0.60 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 0.592 -0.747 6.780) 6.847 3.131 ( -0.854 -0.589 -3.252) 3.413 4.521 ( -0.614 -9.898 3.914) 10.662 5.606 ( 13.704 4.260 -2.087) 14.502 6.492 ( -0.493 2.076 2.733) 3.467 10.492 ( 8.732 0.179 10.360) 13.550 10.738 ( -1.057 4.275 -5.705) 7.207 13.639 ( -0.527 2.983 -4.491) 5.417 14.798 ( -3.676 5.598 -8.806) 11.063 15.078 ( 3.193 2.055 7.838) 8.709 18.478 ( 0.169 5.183 6.856) 8.596 20.657 ( -2.214 -7.113 -6.655) 9.989 ======================= Grid point 1468 (538/781) ======================= q-point: (-0.30 -0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 1.355 0.290 7.206) 7.337 3.092 ( -1.876 -0.583 -3.769) 4.250 4.434 ( -0.404 -7.686 1.443) 7.830 5.931 ( 21.004 0.678 -3.838) 21.362 6.540 ( 2.736 3.883 6.330) 7.915 10.515 ( -8.661 -2.247 -3.157) 9.488 10.911 ( 21.522 -0.659 6.765) 22.570 13.641 ( -0.151 0.689 -2.452) 2.552 14.701 ( -7.250 -0.321 -9.631) 12.059 15.205 ( 4.416 4.822 7.880) 10.239 18.559 ( 0.865 4.888 9.234) 10.484 20.514 ( -4.241 -6.180 -9.381) 12.007 ======================= Grid point 1469 (539/781) ======================= q-point: (-0.25 -0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 2.224 1.218 7.423) 7.844 3.035 ( -2.947 -0.407 -3.988) 4.975 4.367 ( 0.401 -6.186 -1.162) 6.307 6.195 ( 9.954 -1.104 -5.679) 11.513 6.785 ( 20.357 3.993 9.964) 23.014 10.240 ( -15.131 -8.114 -6.153) 18.238 11.374 ( 30.024 -0.647 8.669) 31.257 13.627 ( -0.101 -3.050 0.077) 3.052 14.503 ( -10.221 -3.449 -9.937) 14.666 15.349 ( 3.931 5.514 6.157) 9.152 18.660 ( 2.205 4.493 11.617) 12.649 20.342 ( -5.911 -5.016 -11.791) 14.111 ======================= Grid point 1470 (540/781) ======================= q-point: (-0.20 -0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 3.052 1.889 7.391) 8.217 2.963 ( -3.835 -0.107 -4.009) 5.549 4.322 ( 1.775 -5.305 -3.584) 6.643 6.254 ( 0.892 0.486 -3.168) 3.327 7.288 ( 31.038 -0.641 9.208) 32.382 9.840 ( -18.130 -10.936 -6.937) 22.280 11.928 ( 32.756 -0.603 8.414) 33.825 13.554 ( -2.253 -10.188 1.024) 10.484 14.257 ( -11.220 -2.642 -8.933) 14.583 15.471 ( 2.445 5.350 4.035) 7.134 18.790 ( 4.040 4.006 13.746) 14.877 20.152 ( -7.102 -3.627 -13.806) 15.944 ======================= Grid point 1487 (541/781) ======================= q-point: (-0.35 -0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 0.000 0.019 7.708) 7.708 3.120 ( -0.000 -0.900 -3.753) 3.859 4.443 ( 0.000 -8.787 1.951) 9.001 5.514 ( -0.000 1.758 -1.376) 2.232 6.532 ( 0.000 3.625 3.152) 4.803 10.432 ( 0.000 -1.017 12.517) 12.558 10.752 ( -0.000 -2.140 -7.681) 7.973 13.643 ( -0.000 0.412 -5.845) 5.860 14.824 ( -0.000 -0.975 -8.844) 8.897 15.123 ( 0.000 6.489 10.284) 12.160 18.548 ( 0.000 4.541 9.487) 10.518 20.587 ( -0.000 -6.103 -9.880) 11.613 ======================= Grid point 1488 (542/781) ======================= q-point: (-0.30 -0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 0.663 0.817 8.392) 8.458 3.093 ( -0.643 -1.033 -4.198) 4.371 4.362 ( -0.029 -8.039 -0.710) 8.071 5.625 ( 12.804 -1.241 -1.493) 12.951 6.587 ( -0.011 5.923 4.932) 7.708 10.524 ( 3.893 -4.021 7.786) 9.589 10.672 ( 3.706 -6.467 -3.153) 8.093 13.620 ( 0.274 -2.009 -5.377) 5.747 14.738 ( -3.505 -5.056 -8.469) 10.468 15.241 ( 1.839 7.618 10.045) 12.740 18.623 ( 0.330 3.901 12.172) 12.786 20.482 ( -2.169 -4.901 -12.861) 13.933 ======================= Grid point 1489 (543/781) ======================= q-point: (-0.25 -0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 1.420 1.496 8.848) 9.085 3.054 ( -1.438 -0.860 -4.454) 4.759 4.282 ( 0.611 -8.065 -3.761) 8.919 5.878 ( 19.402 -4.191 -2.750) 20.039 6.695 ( 3.420 8.170 8.106) 12.006 10.324 ( -10.062 -14.422 -6.289) 18.676 10.933 ( 23.523 -1.999 10.391) 25.793 13.578 ( 0.249 -5.408 -3.822) 6.627 14.565 ( -6.541 -7.399 -8.573) 13.078 15.380 ( 2.447 7.305 8.563) 11.518 18.708 ( 1.115 3.106 14.865) 15.227 20.346 ( -4.117 -3.374 -15.493) 16.382 ======================= Grid point 1490 (544/781) ======================= q-point: (-0.20 -0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 2.202 1.950 9.038) 9.504 3.002 ( -2.408 -0.454 -4.484) 5.110 4.207 ( 2.048 -8.552 -6.671) 11.038 6.118 ( 13.881 -4.618 -3.621) 15.071 6.943 ( 14.267 6.941 10.741) 19.160 9.942 ( -13.264 -18.129 -7.133) 23.569 11.406 ( 30.376 -1.776 10.537) 32.200 13.480 ( -1.888 -11.444 -2.928) 11.963 14.345 ( -7.603 -6.954 -7.692) 12.858 15.507 ( 1.955 6.517 6.248) 9.237 18.810 ( 2.533 2.080 17.322) 17.630 20.190 ( -5.756 -1.468 -17.690) 18.661 ======================= Grid point 1508 (545/781) ======================= q-point: (-0.30 -0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 0.000 1.345 9.334) 9.430 3.072 ( -0.000 -1.554 -4.520) 4.780 4.274 ( -0.000 -8.959 -3.802) 9.732 5.488 ( 0.000 -3.758 -0.873) 3.858 6.676 ( 0.000 9.060 5.839) 10.778 10.478 ( 0.000 -2.138 13.814) 13.979 10.528 ( -0.000 -15.703 -8.526) 17.868 13.569 ( -0.000 -4.238 -6.647) 7.883 14.677 ( -0.000 -8.582 -7.832) 11.618 15.335 ( 0.000 8.083 10.719) 13.426 18.693 ( 0.000 2.900 14.981) 15.260 20.417 ( -0.000 -3.395 -15.969) 16.326 ======================= Grid point 1509 (546/781) ======================= q-point: (-0.25 -0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 0.669 1.734 10.073) 10.243 3.040 ( -0.179 -1.751 -4.732) 5.049 4.166 ( 0.493 -10.475 -7.294) 12.774 5.542 ( 12.139 -6.546 -1.032) 13.830 6.798 ( -0.049 12.211 7.885) 14.536 10.265 ( -5.696 -20.877 -7.205) 22.808 10.622 ( 13.889 -2.995 12.565) 18.967 13.498 ( 0.125 -6.948 -6.373) 9.429 14.530 ( -2.959 -11.190 -7.938) 14.035 15.452 ( 0.985 7.487 10.091) 12.604 18.766 ( 0.426 1.696 17.600) 17.687 20.325 ( -2.070 -1.493 -18.532) 18.707 ======================= Grid point 1510 (547/781) ======================= q-point: (-0.20 -0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 1.378 1.904 10.568) 10.826 3.005 ( -0.590 -1.501 -4.767) 5.032 4.048 ( 1.826 -12.138 -10.486) 16.144 5.735 ( 19.147 -9.243 -1.612) 21.322 6.966 ( 1.869 14.216 10.202) 17.597 9.894 ( -8.697 -25.122 -7.535) 27.632 10.955 ( 24.022 -2.625 12.433) 27.176 13.383 ( -1.688 -11.742 -5.786) 13.198 14.331 ( -4.087 -11.626 -7.456) 14.403 15.566 ( 1.177 6.470 8.199) 10.511 18.844 ( 1.282 0.189 19.699) 19.741 20.213 ( -3.949 0.867 -20.330) 20.728 ======================= Grid point 1529 (548/781) ======================= q-point: (-0.25 -0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 0.000 1.750 11.199) 11.335 3.005 ( -0.000 -2.645 -4.861) 5.534 4.020 ( -0.000 -13.056 -11.130) 17.156 5.360 ( 0.000 -8.843 -0.689) 8.870 6.962 ( 0.000 15.606 9.243) 18.138 10.057 ( -0.000 -27.015 -8.664) 28.370 10.511 ( 0.000 -2.993 14.603) 14.906 13.404 ( -0.000 -8.434 -7.314) 11.164 14.405 ( -0.000 -14.601 -8.063) 16.679 15.544 ( 0.000 6.693 10.365) 12.338 18.827 ( 0.000 0.102 19.698) 19.698 20.281 ( -0.000 0.804 -20.630) 20.645 ======================= Grid point 1530 (549/781) ======================= q-point: (-0.20 -0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 0.659 1.436 12.190) 12.292 2.967 ( 0.580 -3.033 -4.838) 5.739 3.852 ( 1.109 -15.356 -14.526) 21.167 5.362 ( 11.606 -11.290 -0.832) 16.213 7.149 ( -0.498 17.657 10.991) 20.805 9.708 ( -4.424 -30.784 -8.496) 32.240 10.642 ( 13.694 -3.164 14.146) 19.941 13.278 ( -1.534 -11.462 -7.344) 13.699 14.215 ( -1.127 -16.340 -7.964) 18.213 15.637 ( 0.473 5.471 9.235) 10.744 18.882 ( 0.470 -1.722 20.740) 20.816 20.223 ( -1.979 3.511 -21.417) 21.793 ======================= Grid point 1550 (550/781) ======================= q-point: (-0.20 -0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 0.000 0.266 13.976) 13.979 2.908 ( -0.000 -4.541 -4.715) 6.546 3.633 ( -0.000 -17.609 -18.189) 25.317 5.142 ( 0.000 -12.927 -0.847) 12.955 7.366 ( 0.000 18.184 12.574) 22.108 9.402 ( 0.000 -33.823 -9.580) 35.154 10.534 ( 0.000 -3.369 14.874) 15.251 13.161 ( -0.000 -11.816 -7.850) 14.186 14.017 ( -0.000 -20.143 -8.478) 21.854 15.706 ( 0.000 4.000 8.965) 9.817 18.912 ( 0.000 -3.579 20.149) 20.465 20.226 ( -0.000 6.336 -20.631) 21.582 ======================= Grid point 1699 (551/781) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 781 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 0.000 -0.000 21.272) 21.272 0.759 ( 0.000 -0.000 21.272) 21.272 3.108 ( 0.000 -0.000 86.446) 86.446 3.649 ( -0.000 0.000 -12.260) 12.260 3.649 ( -0.000 0.000 -12.260) 12.260 10.016 ( -0.000 0.000 -31.773) 31.773 10.741 ( 0.000 -0.000 0.928) 0.928 10.741 ( -0.000 -0.000 0.928) 0.928 11.358 ( 0.000 0.000 0.442) 0.442 11.358 ( -0.000 -0.000 0.442) 0.442 21.150 ( -0.000 0.000 -5.210) 5.210 22.401 ( 0.000 -0.000 6.711) 6.711 ======================= Grid point 1700 (552/781) ======================= q-point: ( 0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 18.988 10.963 17.607) 28.120 1.405 ( 36.793 21.243 16.276) 45.496 3.391 ( 3.763 2.172 83.744) 83.856 3.601 ( 0.494 0.285 -13.230) 13.243 3.728 ( 9.630 5.560 -13.531) 17.514 9.799 ( -7.935 -4.581 -28.421) 29.861 10.834 ( 11.415 6.590 0.563) 13.192 10.995 ( 11.581 6.687 4.703) 14.176 11.188 ( -6.016 -3.474 -3.225) 7.659 12.269 ( 60.107 34.703 -32.237) 76.527 20.765 ( -32.205 -18.594 2.035) 37.243 22.070 ( -19.914 -11.497 24.066) 33.286 ======================= Grid point 1701 (553/781) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 22.872 13.205 15.138) 30.441 2.141 ( 21.174 12.225 19.322) 31.163 3.599 ( 3.067 1.770 -14.053) 14.493 3.726 ( 4.142 2.391 65.071) 65.246 4.128 ( 31.999 18.474 -4.640) 37.239 9.507 ( -11.030 -6.368 -27.599) 30.396 11.052 ( -4.647 -2.683 -0.325) 5.376 11.186 ( 19.092 11.023 2.647) 22.204 11.302 ( 13.856 8.000 1.375) 16.059 13.411 ( 48.732 28.135 -43.046) 70.847 19.970 ( -35.489 -20.490 10.530) 42.310 21.806 ( -11.819 -6.824 24.107) 27.702 ======================= Grid point 1702 (554/781) ======================= q-point: ( 0.35 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 19.957 11.522 14.719) 27.343 2.484 ( 6.472 3.737 17.487) 19.018 3.669 ( 7.231 4.175 -14.463) 16.700 3.981 ( 4.259 2.459 52.150) 52.381 5.056 ( 47.342 27.333 1.996) 54.702 9.143 ( -14.211 -8.205 -25.682) 30.476 10.965 ( -2.510 -1.449 -3.751) 4.740 11.633 ( 14.735 8.507 3.951) 17.467 11.683 ( 23.759 13.717 3.653) 27.677 14.210 ( 33.502 19.343 -35.759) 52.681 19.308 ( -25.440 -14.688 5.420) 29.872 21.625 ( -10.639 -6.143 21.431) 24.702 ======================= Grid point 1703 (555/781) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 12.966 7.486 13.591) 20.221 2.602 ( 1.364 0.788 10.201) 10.322 3.856 ( 13.189 7.615 -13.048) 20.055 4.232 ( 4.735 2.734 50.079) 50.377 6.153 ( 48.440 27.967 -0.889) 55.941 8.733 ( -15.641 -9.031 -21.001) 27.699 10.917 ( -0.570 -0.329 -6.115) 6.151 11.981 ( 14.933 8.621 5.198) 18.009 12.248 ( 25.073 14.476 4.143) 29.246 14.742 ( 22.635 13.068 -27.092) 37.644 18.852 ( -15.781 -9.111 -2.267) 18.363 21.445 ( -10.764 -6.215 19.512) 23.135 ======================= Grid point 1704 (556/781) ======================= q-point: ( 0.45 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -0.586 -0.338 3.518) 3.582 2.794 ( 6.169 3.562 10.500) 12.688 4.175 ( 17.470 10.086 -9.207) 22.174 4.476 ( 4.231 2.443 45.654) 45.914 7.133 ( 36.538 21.095 -12.343) 43.959 8.384 ( -8.111 -4.683 -7.018) 11.703 10.901 ( 0.929 0.536 -8.281) 8.350 12.329 ( 14.414 8.322 6.119) 17.733 12.815 ( 23.935 13.819 4.433) 27.991 15.086 ( 14.519 8.383 -20.764) 26.687 18.579 ( -7.303 -4.217 -7.936) 11.580 21.255 ( -11.069 -6.391 18.050) 22.117 ======================= Grid point 1705 (557/781) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -1.449 -0.837 -0.944) 1.921 2.912 ( 2.514 1.451 7.637) 8.170 4.554 ( 17.531 10.121 -5.420) 20.956 4.676 ( 2.524 1.457 37.450) 37.563 7.418 ( -4.290 -2.477 -29.739) 30.149 8.627 ( 27.421 15.831 14.140) 34.677 10.905 ( 1.786 1.031 -10.331) 10.535 12.658 ( 13.116 7.572 6.906) 16.645 13.339 ( 21.355 12.330 4.816) 25.125 15.285 ( 8.301 4.793 -16.881) 19.412 18.469 ( -0.270 -0.156 -10.920) 10.925 21.053 ( -11.446 -6.608 16.878) 21.437 ======================= Grid point 1706 (558/781) ======================= q-point: ( 0.55 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -1.583 -0.914 -3.534) 3.979 2.968 ( 0.875 0.505 5.962) 6.047 4.797 ( -0.254 -0.147 26.107) 26.109 4.909 ( 14.842 8.569 -2.782) 17.362 7.115 ( -12.022 -6.941 -22.818) 26.709 9.352 ( 29.964 17.300 12.571) 36.813 10.915 ( 1.898 1.096 -12.244) 12.439 12.952 ( 10.997 6.349 7.607) 14.803 13.797 ( 17.979 10.380 5.525) 21.482 15.373 ( 3.978 2.296 -14.646) 15.349 18.489 ( 4.709 2.719 -12.080) 13.248 20.840 ( -11.759 -6.789 15.994) 20.981 ======================= Grid point 1707 (559/781) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -1.074 -0.620 -4.966) 5.119 2.993 ( 0.078 0.045 5.101) 5.102 4.811 ( -3.673 -2.121 13.141) 13.809 5.194 ( 10.874 6.278 -0.995) 12.596 6.817 ( -8.996 -5.194 -14.373) 17.733 9.978 ( 21.988 12.695 10.881) 27.623 10.914 ( 1.310 0.757 -13.931) 14.013 13.191 ( 8.082 4.666 8.193) 12.419 14.173 ( 13.818 7.978 6.656) 17.288 15.392 ( 1.745 1.007 -13.280) 13.432 18.594 ( 7.514 4.338 -12.668) 15.354 20.621 ( -11.766 -6.793 15.554) 20.652 ======================= Grid point 1708 (560/781) ======================= q-point: ( 0.65 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -0.059 -0.034 -5.874) 5.874 3.004 ( -0.402 -0.232 4.668) 4.691 4.711 ( -7.043 -4.066 2.015) 8.378 5.387 ( 6.350 3.666 0.256) 7.337 6.646 ( -3.243 -1.873 -7.236) 8.148 10.382 ( 11.042 6.375 9.702) 16.021 10.889 ( 0.223 0.129 -15.258) 15.260 13.358 ( 4.503 2.600 8.599) 10.049 14.445 ( 8.136 4.697 8.052) 12.374 15.392 ( 1.991 1.149 -12.317) 12.529 18.739 ( 8.559 4.942 -13.688) 16.883 20.408 ( -11.172 -6.450 15.875) 20.455 ======================= Grid point 1709 (561/781) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 1.200 0.693 -6.792) 6.932 3.003 ( -0.825 -0.477 4.453) 4.554 4.515 ( -9.987 -5.766 -3.279) 11.989 5.479 ( 1.618 0.934 1.099) 2.168 6.631 ( 3.382 1.952 -3.941) 5.548 10.520 ( -1.249 -0.721 8.737) 8.856 10.834 ( -1.052 -0.607 -16.086) 16.131 13.440 ( 0.517 0.298 8.766) 8.786 14.570 ( 0.548 0.316 8.939) 8.961 15.428 ( 4.428 2.557 -11.136) 12.254 18.887 ( 8.089 4.670 -15.807) 18.360 20.221 ( -9.507 -5.489 17.387) 20.563 ======================= Grid point 1710 (562/781) ======================= q-point: (-0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 2.261 1.305 -8.248) 8.652 2.992 ( -1.393 -0.804 4.374) 4.661 4.251 ( -12.714 -7.340 -1.618) 14.770 5.466 ( -3.097 -1.788 1.532) 3.891 6.770 ( 9.896 5.714 -4.616) 12.325 10.379 ( -13.326 -7.694 8.090) 17.385 10.750 ( -2.170 -1.253 -16.309) 16.500 13.431 ( -3.520 -2.032 8.671) 9.577 14.524 ( -6.743 -3.893 8.883) 11.812 15.520 ( 6.129 3.538 -9.627) 11.948 18.993 ( 5.486 3.167 -18.950) 19.981 20.099 ( -5.781 -3.338 19.993) 21.078 ======================= Grid point 1711 (563/781) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 2.381 1.374 -10.775) 11.120 2.964 ( -2.329 -1.344 4.435) 5.187 3.944 ( -14.965 -8.640 6.039) 18.305 5.350 ( -7.521 -4.342 1.482) 8.810 7.036 ( 15.012 8.667 -7.744) 18.985 9.984 ( -23.555 -13.599 8.151) 28.393 10.645 ( -2.847 -1.643 -15.891) 16.227 13.335 ( -7.217 -4.167 8.345) 11.794 14.331 ( -12.549 -7.245 8.651) 16.877 15.628 ( 5.562 3.211 -8.782) 10.880 19.006 ( 0.668 0.385 -20.892) 20.906 20.095 ( 0.226 0.130 21.497) 21.498 ======================= Grid point 1720 (564/781) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 0.000 21.576 17.639) 27.869 1.455 ( 0.000 42.921 16.638) 46.033 3.593 ( 0.000 5.818 28.302) 28.894 3.625 ( -0.000 3.698 -13.415) 13.915 3.664 ( 0.000 5.286 40.482) 40.826 9.715 ( -0.000 -8.106 -31.550) 32.574 10.534 ( 0.000 -9.619 -0.004) 9.619 11.158 ( 0.000 19.740 9.957) 22.109 11.584 ( -0.000 12.481 1.192) 12.538 11.947 ( -0.000 63.855 -36.683) 73.642 20.761 ( 0.000 -36.284 0.906) 36.295 22.134 ( 0.000 -21.344 21.518) 30.308 ======================= Grid point 1721 (565/781) ======================= q-point: ( 0.30 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 13.015 23.418 15.890) 31.150 2.047 ( 15.315 26.751 18.177) 35.786 3.588 ( -1.539 6.424 -14.104) 15.574 3.830 ( 9.764 13.015 -4.826) 16.971 3.963 ( 9.395 10.933 66.987) 68.520 9.487 ( -5.754 -8.936 -31.327) 33.081 10.632 ( 20.361 -10.790 -0.825) 23.058 11.296 ( -11.134 13.718 7.425) 19.165 11.592 ( -4.786 30.034 -0.455) 30.416 12.886 ( 39.183 47.606 -40.770) 73.918 20.194 ( -20.145 -38.206 7.450) 43.829 21.948 ( -7.396 -13.072 23.000) 27.470 ======================= Grid point 1722 (566/781) ======================= q-point: ( 0.35 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 15.454 20.906 15.514) 30.275 2.454 ( 7.847 6.457 17.708) 20.416 3.619 ( 1.825 8.950 -14.845) 17.430 4.091 ( 4.414 6.866 38.369) 39.227 4.671 ( 33.504 30.590 17.743) 48.714 9.174 ( -9.648 -10.102 -29.722) 32.840 10.910 ( 20.037 -7.779 -5.126) 22.097 11.254 ( -3.370 9.427 5.866) 11.604 11.922 ( 3.530 32.839 4.310) 33.308 13.779 ( 33.308 32.262 -36.751) 59.169 19.523 ( -21.410 -28.281 6.310) 36.028 21.773 ( -8.286 -9.615 21.002) 24.540 ======================= Grid point 1723 (567/781) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 11.073 13.972 15.088) 23.355 2.603 ( 3.035 0.084 11.902) 12.283 3.756 ( 6.970 13.788 -14.222) 20.999 4.343 ( 3.622 5.040 47.198) 47.604 5.675 ( 42.463 32.644 4.500) 53.750 8.805 ( -12.135 -10.352 -25.677) 30.227 10.996 ( -3.420 6.840 -8.859) 11.703 11.522 ( 25.664 -4.038 7.719) 27.102 12.338 ( 6.626 31.678 5.162) 32.772 14.428 ( 24.398 21.790 -28.722) 43.532 18.988 ( -15.934 -18.624 0.126) 24.511 21.597 ( -9.031 -8.641 18.911) 22.668 ======================= Grid point 1724 (568/781) ======================= q-point: ( 0.45 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 0.771 -2.777 6.249) 6.881 2.790 ( 5.053 7.923 11.490) 14.844 4.044 ( 11.969 18.997 -10.408) 24.748 4.580 ( 2.978 3.722 46.205) 46.450 6.675 ( 39.805 25.399 -5.949) 47.591 8.454 ( -10.079 -6.867 -15.532) 19.748 10.971 ( -5.347 9.985 -9.786) 14.968 11.967 ( 27.828 -3.991 7.342) 29.056 12.781 ( 9.877 27.272 5.249) 29.477 14.872 ( 16.451 14.613 -21.759) 30.945 18.627 ( -8.988 -10.779 -5.695) 15.146 21.411 ( -9.646 -8.249 17.174) 21.355 ======================= Grid point 1725 (569/781) ======================= q-point: ( 0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -0.500 -2.904 1.174) 3.172 2.924 ( 1.675 3.440 8.204) 9.052 4.432 ( 12.951 20.369 -5.498) 24.756 4.775 ( 1.482 2.443 39.598) 39.701 7.269 ( 12.530 3.571 -27.310) 30.259 8.435 ( 14.029 10.491 8.560) 19.497 10.959 ( -4.568 10.838 -11.244) 16.271 12.403 ( 23.573 -0.443 7.613) 24.775 13.224 ( 12.961 20.683 5.304) 24.978 15.150 ( 9.755 9.371 -17.104) 21.806 18.439 ( -2.145 -4.523 -9.251) 10.518 21.212 ( -10.193 -8.113 15.760) 20.448 ======================= Grid point 1726 (570/781) ======================= q-point: ( 0.55 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -1.073 -2.335 -2.189) 3.375 2.982 ( 0.437 1.135 6.225) 6.343 4.799 ( 8.752 12.048 5.321) 15.814 4.914 ( 1.008 7.581 21.773) 23.077 7.142 ( -7.379 -7.048 -27.641) 29.465 9.045 ( 29.956 17.213 13.845) 37.220 10.959 ( -4.080 11.086 -12.761) 17.389 12.788 ( 17.728 3.096 7.942) 19.670 13.644 ( 14.876 13.920 5.758) 21.171 15.295 ( 4.649 5.575 -14.440) 16.162 18.402 ( 3.372 0.022 -10.737) 11.254 21.002 ( -10.660 -8.122 14.669) 19.869 ======================= Grid point 1727 (571/781) ======================= q-point: ( 0.60 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -1.064 -1.475 -4.316) 4.683 3.006 ( 0.061 -0.126 5.293) 5.295 4.880 ( -2.782 -3.748 16.259) 16.915 5.176 ( 5.799 18.775 0.120) 19.650 6.866 ( -8.370 -5.446 -18.890) 21.367 9.717 ( 26.640 12.332 12.023) 31.723 10.957 ( -4.295 10.992 -14.116) 18.399 13.102 ( 11.906 5.014 8.140) 15.270 14.023 ( 14.818 8.292 6.773) 18.282 15.345 ( 1.533 3.121 -13.012) 13.469 18.474 ( 6.817 2.822 -11.262) 13.464 20.783 ( -10.856 -8.117 14.012) 19.495 ======================= Grid point 1728 (572/781) ======================= q-point: ( 0.65 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( -0.516 -0.471 -5.697) 5.740 3.016 ( -0.064 -0.829 4.879) 4.950 4.786 ( -6.238 -5.546 4.982) 9.720 5.415 ( 2.110 16.014 0.607) 16.164 6.673 ( -4.941 -1.878 -10.426) 11.690 10.219 ( 18.179 5.409 10.465) 21.662 10.941 ( -5.166 10.699 -15.124) 19.233 13.330 ( 6.591 4.962 8.194) 11.628 14.334 ( 12.189 3.634 8.232) 15.151 15.348 ( 0.716 2.128 -12.272) 12.475 18.605 ( 8.283 4.210 -11.941) 15.130 20.564 ( -10.500 -7.912 14.041) 19.235 ======================= Grid point 1729 (573/781) ======================= q-point: ( 0.70 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 0.417 0.531 -6.812) 6.846 3.018 ( -0.226 -1.141 4.705) 4.847 4.606 ( -8.557 -6.168 -2.092) 10.753 5.557 ( -2.248 12.882 1.337) 13.144 6.607 ( 0.002 1.652 -5.373) 5.621 10.480 ( 7.207 -2.088 9.070) 11.771 10.901 ( -6.451 10.359 -15.550) 19.767 13.465 ( 1.760 3.328 8.127) 8.957 14.534 ( 6.411 -1.005 9.527) 11.526 15.359 ( 2.542 2.764 -11.706) 12.293 18.752 ( 8.162 4.571 -13.546) 16.462 20.364 ( -9.232 -7.284 15.138) 19.168 ======================= Grid point 1730 (574/781) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 1.404 1.338 -8.119) 8.348 3.013 ( -0.630 -1.175 4.653) 4.840 4.376 ( -10.575 -6.377 -2.335) 12.568 5.597 ( -6.805 9.908 1.673) 12.136 6.673 ( 5.815 4.691 -4.578) 8.762 10.471 ( -4.648 -9.253 7.927) 13.041 10.834 ( -7.887 10.078 -15.385) 20.011 13.501 ( -2.615 0.611 7.949) 8.390 14.574 ( -1.218 -5.284 9.530) 10.965 15.428 ( 5.368 3.906 -10.491) 12.415 18.876 ( 6.366 3.903 -16.408) 18.028 20.213 ( -6.428 -5.839 17.561) 19.591 ======================= Grid point 1731 (575/781) ======================= q-point: (-0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 1.868 1.695 -9.991) 10.304 2.999 ( -1.458 -1.077 4.691) 5.029 4.117 ( -12.630 -6.655 3.739) 14.758 5.530 ( -11.409 7.124 1.520) 13.536 6.863 ( 11.726 7.120 -6.855) 15.336 10.199 ( -15.784 -15.253 7.711) 23.265 10.744 ( -9.055 10.030 -15.020) 20.204 13.437 ( -6.363 -2.880 7.673) 10.376 14.457 ( -7.872 -7.982 8.738) 14.214 15.538 ( 6.019 3.966 -9.362) 11.816 18.930 ( 2.523 1.930 -19.554) 19.811 20.154 ( -1.515 -3.141 20.362) 20.658 ======================= Grid point 1741 (576/781) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 0.000 26.244 15.521) 30.490 2.246 ( 0.000 22.805 18.705) 29.495 3.638 ( -0.000 6.208 -14.899) 16.140 3.878 ( -0.000 28.092 -14.624) 31.671 4.209 ( 0.000 9.992 74.494) 75.161 9.347 ( -0.000 -10.406 -32.962) 34.566 10.372 ( 0.000 -7.135 0.609) 7.161 11.647 ( 0.000 24.653 9.431) 26.396 11.851 ( -0.000 14.317 0.597) 14.330 12.945 ( -0.000 59.817 -43.598) 74.020 19.968 ( 0.000 -43.347 7.472) 43.986 21.937 ( 0.000 -13.841 21.554) 25.615 ======================= Grid point 1742 (577/781) ======================= q-point: ( 0.35 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 9.858 24.226 15.492) 30.399 2.479 ( 2.996 6.608 17.066) 18.544 3.660 ( 0.106 9.737 -15.576) 18.369 4.199 ( 5.380 20.142 14.707) 25.513 4.658 ( 13.594 28.433 41.916) 52.442 9.103 ( -4.930 -11.039 -32.043) 34.248 10.462 ( 17.024 -6.791 0.398) 18.333 11.654 ( -18.722 19.464 1.828) 27.069 12.147 ( 7.317 25.763 4.954) 27.236 13.570 ( 21.059 44.969 -37.162) 62.022 19.492 ( -10.338 -36.408 5.985) 38.317 21.832 ( -4.164 -12.048 19.853) 23.594 ======================= Grid point 1743 (578/781) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 9.145 17.308 15.435) 24.929 2.583 ( 2.652 -0.759 12.376) 12.680 3.771 ( 4.492 15.819 -15.158) 22.365 4.486 ( 2.632 9.318 40.802) 41.935 5.433 ( 28.272 37.062 11.661) 48.051 8.795 ( -8.170 -10.413 -28.309) 31.250 10.761 ( 23.720 -5.391 -1.552) 24.375 11.557 ( -13.603 18.551 0.803) 23.018 12.543 ( 6.527 27.688 5.330) 28.942 14.207 ( 21.188 30.901 -29.021) 47.392 19.006 ( -11.493 -26.077 1.347) 28.529 21.687 ( -6.334 -10.809 17.919) 21.864 ======================= Grid point 1744 (579/781) ======================= q-point: ( 0.45 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 0.704 -3.886 7.860) 8.796 2.830 ( 4.728 9.648 11.747) 15.919 4.046 ( 9.807 23.321 -11.044) 27.605 4.719 ( 1.587 5.589 44.828) 45.203 6.305 ( 32.706 29.102 -2.587) 43.855 8.492 ( -8.205 -6.140 -19.522) 22.048 11.057 ( 11.012 3.688 -7.808) 13.994 11.629 ( 6.352 11.018 5.544) 13.873 12.927 ( 6.521 25.525 4.911) 26.798 14.702 ( 16.369 21.029 -21.648) 34.333 18.627 ( -8.153 -16.481 -3.821) 18.780 21.517 ( -7.660 -10.027 16.075) 20.436 ======================= Grid point 1745 (580/781) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 0.097 -4.200 3.382) 5.394 2.965 ( 0.895 4.179 7.637) 8.751 4.451 ( 11.033 25.846 -4.779) 28.505 4.907 ( 0.380 4.122 39.821) 40.035 6.956 ( 21.551 9.269 -21.091) 31.546 8.393 ( 3.643 7.738 -0.067) 8.553 11.153 ( -4.219 14.108 -11.737) 18.831 11.997 ( 23.783 3.034 8.311) 25.375 13.284 ( 7.240 21.119 4.569) 22.788 15.043 ( 10.589 13.979 -16.213) 23.883 18.395 ( -2.983 -8.500 -7.500) 11.722 21.329 ( -8.599 -9.571 14.453) 19.350 ======================= Grid point 1746 (581/781) ======================= q-point: ( 0.55 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( -0.366 -3.520 -0.197) 3.544 3.011 ( -0.368 1.413 5.423) 5.616 4.828 ( 6.526 14.737 7.553) 17.800 5.065 ( 0.419 12.321 22.296) 25.478 7.049 ( 1.179 -5.818 -29.662) 30.250 8.799 ( 22.829 17.687 12.678) 31.539 11.168 ( -7.348 17.329 -12.973) 22.860 12.468 ( 24.718 2.826 8.443) 26.273 13.609 ( 8.681 15.469 4.743) 18.361 15.243 ( 5.223 8.878 -12.866) 16.481 18.313 ( 2.234 -2.481 -9.258) 9.841 21.126 ( -9.333 -9.387 13.115) 18.634 ======================= Grid point 1747 (582/781) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -0.579 -2.367 -2.879) 3.772 3.022 ( -0.514 -0.236 4.639) 4.673 4.932 ( -2.148 -3.726 16.698) 17.243 5.337 ( 2.528 25.909 3.419) 26.256 6.868 ( -4.672 -4.948 -22.831) 23.823 9.421 ( 26.236 13.034 12.421) 31.819 11.172 ( -8.188 18.416 -13.846) 24.452 12.907 ( 19.676 4.665 8.069) 21.772 13.908 ( 10.621 9.329 5.783) 15.274 15.328 ( 1.276 5.380 -11.123) 12.421 18.354 ( 6.088 1.448 -9.788) 11.617 20.910 ( -9.788 -9.340 12.174) 18.200 ======================= Grid point 1748 (583/781) ======================= q-point: ( 0.65 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -0.442 -1.008 -4.829) 4.953 3.021 ( -0.250 -1.303 4.509) 4.700 4.843 ( -5.605 -6.931 7.159) 11.433 5.609 ( -0.648 23.978 2.362) 24.102 6.707 ( -4.460 -0.262 -14.273) 14.956 9.957 ( 21.922 5.217 10.775) 24.978 11.168 ( -9.076 18.837 -14.393) 25.384 13.254 ( 12.338 6.015 7.221) 15.510 14.180 ( 11.859 3.384 7.720) 14.550 15.341 ( -0.593 3.429 -10.400) 10.967 18.473 ( 8.032 3.606 -10.154) 13.440 20.689 ( -9.725 -9.237 11.851) 17.898 ======================= Grid point 1749 (584/781) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 0.034 0.322 -6.315) 6.324 3.017 ( 0.086 -1.862 4.605) 4.968 4.671 ( -7.326 -7.013 -0.548) 10.157 5.788 ( -4.354 19.828 2.936) 20.511 6.636 ( -2.558 4.449 -8.482) 9.913 10.302 ( 13.756 -2.885 9.221) 16.810 11.146 ( -10.327 18.983 -14.461) 26.003 13.476 ( 5.121 5.464 6.253) 9.756 14.403 ( 10.106 -1.972 9.845) 14.246 15.333 ( 0.088 3.182 -10.252) 10.735 18.621 ( 8.260 4.534 -11.233) 14.661 20.478 ( -8.826 -8.864 12.497) 17.682 ======================= Grid point 1750 (585/781) ======================= q-point: (-0.25 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 0.697 1.402 -7.648) 7.807 3.015 ( 0.225 -1.942 4.725) 5.113 4.469 ( -8.475 -6.001 -2.493) 10.679 5.868 ( -7.962 16.243 3.173) 18.366 6.655 ( 0.500 7.505 -6.420) 9.889 10.408 ( 3.361 -10.276 7.885) 13.382 11.103 ( -11.788 19.006 -13.998) 26.384 13.570 ( -0.852 2.802 5.658) 6.371 14.518 ( 4.425 -6.548 10.610) 13.229 15.364 ( 3.068 4.198 -9.798) 11.092 18.760 ( 6.925 4.507 -13.575) 15.892 20.303 ( -6.638 -7.916 14.503) 17.806 ======================= Grid point 1751 (586/781) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 1.196 2.046 -9.094) 9.398 3.013 ( -0.082 -1.675 4.785) 5.070 4.258 ( -9.905 -5.066 1.557) 11.234 5.854 ( -12.406 14.072 2.671) 18.949 6.763 ( 5.548 8.531 -7.271) 12.507 10.264 ( -7.556 -16.203 7.212) 19.278 11.038 ( -13.241 19.114 -13.286) 26.780 13.537 ( -5.647 -1.578 5.553) 8.075 14.486 ( -2.296 -9.114 9.354) 13.260 15.456 ( 5.344 4.714 -8.687) 11.236 18.848 ( 3.785 3.329 -16.991) 17.723 20.201 ( -2.605 -5.929 17.685) 18.834 ======================= Grid point 1762 (587/781) ======================= q-point: ( 0.35 0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 0.000 23.432 15.346) 28.009 2.546 ( 0.000 1.161 14.903) 14.948 3.703 ( -0.000 10.308 -16.500) 19.455 4.421 ( 0.000 20.601 23.180) 31.012 4.966 ( 0.000 35.443 32.692) 48.218 8.943 ( -0.000 -10.699 -32.033) 33.772 10.265 ( 0.000 -4.673 1.856) 5.028 12.143 ( -0.000 15.595 -0.380) 15.599 12.204 ( -0.000 27.575 5.113) 28.045 13.749 ( -0.000 46.263 -33.635) 57.198 19.233 ( 0.000 -35.212 4.545) 35.504 21.801 ( 0.000 -12.534 18.321) 22.198 ======================= Grid point 1763 (588/781) ======================= q-point: ( 0.40 0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 0.438 -2.755 11.634) 11.963 2.601 ( 6.484 17.802 15.001) 24.166 3.802 ( 3.958 15.199 -16.265) 22.610 4.679 ( 0.683 11.264 40.107) 41.664 5.514 ( 11.883 40.683 11.654) 43.956 8.721 ( -4.133 -8.460 -28.547) 30.059 10.367 ( 15.417 -3.905 2.041) 16.034 12.051 ( -19.017 20.872 -1.478) 28.275 12.658 ( 11.248 24.287 3.583) 27.003 14.176 ( 11.185 36.121 -27.115) 46.530 18.882 ( -5.075 -27.937 1.436) 28.431 21.705 ( -3.085 -12.031 16.565) 20.704 ======================= Grid point 1764 (589/781) ======================= q-point: ( 0.45 0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 0.180 -4.733 8.229) 9.495 2.880 ( 4.579 9.737 11.647) 15.857 4.067 ( 10.605 22.646 -12.155) 27.804 4.895 ( 0.181 6.239 44.725) 45.158 6.156 ( 18.858 31.733 -3.338) 37.064 8.506 ( -5.451 -2.099 -19.992) 20.827 10.681 ( 23.889 -2.744 1.054) 24.069 11.955 ( -15.901 22.338 -2.321) 27.517 13.056 ( 7.827 22.723 3.168) 24.241 14.616 ( 13.008 25.370 -20.460) 35.092 18.559 ( -5.456 -18.895 -2.402) 19.813 21.566 ( -5.191 -11.312 14.737) 19.289 ======================= Grid point 1765 (590/781) ======================= q-point: ( 0.50 0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 0.093 -4.939 4.877) 6.942 3.013 ( 0.791 4.041 6.842) 7.985 4.492 ( 13.008 25.456 -4.681) 28.968 5.070 ( -0.275 4.859 40.131) 40.425 6.662 ( 17.304 11.965 -18.887) 28.272 8.448 ( -0.059 11.009 -4.479) 11.885 11.070 ( 21.287 1.485 -2.633) 21.500 11.966 ( -5.926 20.539 0.123) 21.377 13.385 ( 5.953 19.433 2.656) 20.497 14.971 ( 10.496 16.967 -14.862) 24.878 18.332 ( -2.889 -10.455 -5.566) 12.191 21.399 ( -6.679 -10.723 12.980) 18.113 ======================= Grid point 1766 (591/781) ======================= q-point: ( 0.55 0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 0.007 -4.317 1.803) 4.679 3.050 ( -0.869 1.356 4.160) 4.461 4.881 ( 6.580 12.796 9.515) 17.250 5.253 ( 1.956 15.457 22.155) 27.085 6.832 ( 7.889 -3.740 -28.156) 29.478 8.719 ( 11.972 20.091 8.369) 24.840 11.347 ( 5.406 11.586 -9.166) 15.731 12.194 ( 12.613 12.921 5.677) 18.928 13.655 ( 5.383 15.048 2.574) 16.188 15.209 ( 6.265 10.831 -10.910) 16.601 18.229 ( 1.061 -3.722 -7.356) 8.312 21.210 ( -7.804 -10.399 11.408) 17.297 ======================= Grid point 1767 (592/781) ======================= q-point: ( 0.60 0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -0.051 -3.136 -0.871) 3.255 3.046 ( -1.227 -0.280 3.296) 3.528 4.978 ( -2.110 -4.290 16.607) 17.282 5.575 ( 3.321 28.001 6.486) 28.934 6.780 ( 1.932 -4.117 -24.720) 25.135 9.203 ( 19.138 15.814 10.994) 27.152 11.455 ( -5.271 19.078 -12.302) 23.304 12.620 ( 21.462 7.905 7.782) 24.159 13.879 ( 5.893 10.004 3.351) 12.084 15.333 ( 2.013 6.595 -8.596) 11.020 18.245 ( 4.850 0.880 -7.962) 9.365 21.002 ( -8.601 -10.297 10.156) 16.827 ======================= Grid point 1768 (593/781) ======================= q-point: ( 0.65 0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -0.022 -1.596 -3.122) 3.506 3.028 ( -0.920 -1.517 3.371) 3.810 4.883 ( -5.275 -8.262 8.409) 12.915 5.879 ( -0.713 24.982 5.083) 25.503 6.722 ( -0.360 3.531 -17.646) 17.999 9.682 ( 19.974 6.641 10.210) 23.394 11.494 ( -9.188 22.278 -12.999) 27.381 13.065 ( 19.223 6.939 6.946) 21.585 14.072 ( 7.345 4.276 5.380) 10.058 15.367 ( -0.915 4.079 -7.536) 8.618 18.350 ( 7.314 3.544 -8.146) 11.507 20.782 ( -8.900 -10.257 9.436) 16.537 ======================= Grid point 1769 (594/781) ======================= q-point: ( 0.70 0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 0.123 0.047 -4.997) 4.999 3.009 ( -0.243 -2.382 3.823) 4.511 4.714 ( -6.415 -8.028 0.964) 10.322 6.056 ( -3.636 16.292 5.419) 17.551 6.740 ( -2.825 13.976 -12.100) 18.701 10.039 ( 16.367 -2.904 8.944) 18.876 11.507 ( -11.443 23.840 -12.860) 29.405 13.414 ( 11.682 6.634 4.555) 14.186 14.242 ( 8.957 -1.979 8.663) 12.618 15.355 ( -1.653 3.270 -7.322) 8.188 18.499 ( 8.099 4.857 -8.762) 12.882 20.563 ( -8.412 -10.083 9.576) 16.253 ======================= Grid point 1770 (595/781) ======================= q-point: ( 0.75 0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 0.361 1.484 -6.574) 6.749 2.998 ( 0.514 -2.771 4.283) 5.127 4.531 ( -6.744 -6.082 -1.996) 9.298 6.127 ( -4.297 9.929 5.366) 12.076 6.806 ( -5.933 20.105 -9.271) 22.920 10.214 ( 9.458 -11.214 7.821) 16.625 11.497 ( -13.432 24.695 -12.271) 30.673 13.602 ( 3.044 4.512 2.245) 5.888 14.372 ( 7.913 -7.479 11.329) 15.713 15.352 ( 0.224 3.994 -7.379) 8.394 18.653 ( 7.261 5.287 -10.503) 13.820 20.367 ( -6.748 -9.526 11.022) 16.055 ======================= Grid point 1771 (596/781) ======================= q-point: (-0.20 0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 0.595 2.457 -7.932) 8.325 2.997 ( 0.973 -2.692 4.526) 5.355 4.361 ( -7.282 -3.987 0.051) 8.302 6.149 ( -5.538 8.509 4.798) 11.229 6.868 ( -6.433 19.889 -9.022) 22.767 10.181 ( 0.484 -17.305 7.125) 18.721 11.463 ( -15.271 25.152 -11.439) 31.570 13.620 ( -3.852 -0.408 1.799) 4.271 14.412 ( 3.154 -10.377 10.728) 15.255 15.406 ( 3.342 4.981 -6.842) 9.098 18.771 ( 4.669 4.806 -13.683) 15.235 20.229 ( -3.394 -8.176 14.042) 16.600 ======================= Grid point 1783 (597/781) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 0.000 -4.639 9.954) 10.982 2.751 ( 0.000 15.035 13.937) 20.501 3.869 ( -0.000 17.204 -16.206) 23.635 4.894 ( 0.000 7.378 45.398) 45.993 5.842 ( -0.000 39.994 1.962) 40.042 8.615 ( -0.000 -3.441 -25.241) 25.474 10.212 ( 0.000 -2.455 3.529) 4.299 12.448 ( -0.000 16.220 -1.476) 16.287 12.761 ( -0.000 27.698 0.535) 27.703 14.354 ( -0.000 32.869 -22.915) 40.068 18.667 ( 0.000 -24.103 0.303) 24.105 21.657 ( 0.000 -12.255 14.948) 19.330 ======================= Grid point 1784 (598/781) ======================= q-point: ( 0.45 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -0.146 -5.411 7.858) 9.542 2.938 ( 2.828 8.769 10.794) 14.192 4.079 ( 8.086 21.823 -13.030) 26.672 5.079 ( -0.201 3.148 47.008) 47.114 6.237 ( 6.279 29.282 -9.877) 31.535 8.536 ( -2.595 6.236 -16.830) 18.135 10.331 ( 14.568 -1.629 3.948) 15.181 12.440 ( -15.312 20.283 -3.074) 25.599 13.133 ( 9.124 23.427 0.011) 25.141 14.640 ( 6.709 24.829 -18.107) 31.454 18.440 ( -2.351 -17.079 -1.664) 17.320 21.559 ( -2.534 -11.895 13.169) 17.926 ======================= Grid point 1785 (599/781) ======================= q-point: ( 0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -0.112 -5.424 5.618) 7.810 3.055 ( 0.902 3.705 6.058) 7.158 4.477 ( 14.596 23.885 -6.542) 28.746 5.225 ( 0.041 0.930 42.317) 42.327 6.513 ( 7.490 11.498 -20.979) 25.068 8.589 ( -1.175 18.971 -4.864) 19.620 10.663 ( 23.724 -0.561 3.345) 23.966 12.381 ( -14.610 22.974 -3.978) 27.515 13.472 ( 6.340 19.383 -0.053) 20.393 14.931 ( 8.781 16.789 -13.381) 23.195 18.262 ( -2.162 -9.504 -3.652) 10.408 21.421 ( -4.515 -11.394 11.335) 16.695 ======================= Grid point 1786 (600/781) ======================= q-point: ( 0.55 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 0.042 -4.836 3.367) 5.893 3.088 ( -0.916 1.250 2.956) 3.338 4.898 ( 9.376 13.399 6.215) 17.495 5.392 ( 5.115 9.403 25.908) 28.032 6.598 ( 6.100 -1.448 -25.647) 26.402 8.830 ( 3.498 25.169 3.887) 25.706 11.098 ( 25.001 1.956 1.012) 25.098 12.392 ( -9.050 23.283 -2.682) 25.124 13.727 ( 4.057 15.279 -0.059) 15.809 15.170 ( 7.405 10.461 -9.377) 15.880 18.169 ( -0.095 -3.065 -5.009) 5.874 21.253 ( -6.080 -11.035 9.567) 15.820 ======================= Grid point 1787 (601/781) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 0.241 -3.728 1.201) 3.924 3.076 ( -1.701 -0.199 1.754) 2.451 5.013 ( -1.782 -5.144 15.360) 16.296 5.764 ( 9.244 25.221 9.344) 28.441 6.591 ( 6.235 -3.876 -23.303) 24.432 9.177 ( 8.071 20.964 7.132) 23.569 11.498 ( 15.791 8.207 -4.045) 18.250 12.539 ( 2.682 19.329 1.618) 19.581 13.913 ( 3.004 10.928 0.440) 11.342 15.324 ( 4.129 6.000 -6.576) 9.813 18.170 ( 2.902 1.514 -5.571) 6.461 21.059 ( -7.281 -10.888 8.013) 15.355 ======================= Grid point 1788 (602/781) ======================= q-point: ( 0.65 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 0.435 -2.178 -0.842) 2.375 3.044 ( -1.729 -1.394 1.708) 2.802 4.908 ( -4.978 -9.700 8.787) 14.003 6.119 ( 1.011 20.052 7.646) 21.484 6.658 ( 8.781 7.281 -18.361) 21.616 9.521 ( 11.090 10.950 7.649) 17.361 11.747 ( 1.943 16.962 -8.727) 19.174 12.860 ( 14.606 12.523 5.338) 19.966 14.047 ( 2.913 5.950 1.838) 6.875 15.391 ( 0.709 3.326 -4.983) 6.033 18.256 ( 5.628 4.258 -5.666) 9.051 20.845 ( -8.006 -10.869 6.883) 15.153 ======================= Grid point 1789 (603/781) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 0.559 -0.349 -2.778) 2.855 3.005 ( -1.149 -2.440 2.291) 3.539 4.737 ( -5.670 -9.100 2.201) 10.946 6.232 ( -2.585 6.152 4.868) 8.260 6.902 ( 4.009 24.816 -11.287) 27.555 9.791 ( 12.102 -0.750 7.314) 14.160 11.870 ( -6.431 22.833 -10.049) 25.762 13.250 ( 16.349 8.304 4.588) 18.902 14.140 ( 3.818 -0.211 4.754) 6.100 15.395 ( -1.401 2.371 -4.334) 5.135 18.398 ( 7.165 5.680 -5.931) 10.898 20.623 ( -8.004 -10.821 6.484) 14.940 ======================= Grid point 1790 (604/781) ======================= q-point: ( 0.75 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 0.534 1.463 -4.601) 4.857 2.975 ( -0.098 -3.210 3.105) 4.467 4.568 ( -5.412 -6.463 -1.050) 8.495 6.238 ( -1.837 1.539 4.023) 4.683 7.145 ( -4.908 31.004 -8.246) 32.455 9.947 ( 10.608 -11.315 6.893) 16.973 11.929 ( -11.082 25.974 -9.740) 29.872 13.553 ( 9.463 5.897 0.386) 11.156 14.205 ( 5.866 -7.268 9.497) 13.320 15.381 ( -1.286 2.936 -4.294) 5.358 18.561 ( 7.128 6.339 -7.070) 11.873 20.411 ( -6.910 -10.557 7.260) 14.557 ======================= Grid point 1791 (605/781) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 0.352 2.863 -6.204) 6.842 2.960 ( 1.078 -3.535 3.769) 5.278 4.428 ( -5.128 -3.474 -0.584) 6.221 6.238 ( -0.464 0.568 3.720) 3.792 7.277 ( -12.442 30.961 -7.871) 34.283 9.964 ( 6.329 -18.572 6.713) 20.737 11.947 ( -14.403 27.559 -9.045) 32.385 13.661 ( -0.472 1.188 -2.767) 3.048 14.251 ( 6.553 -11.693 12.115) 18.067 15.399 ( 1.028 4.229 -4.271) 6.098 18.707 ( 5.265 6.389 -9.715) 12.764 20.240 ( -4.213 -9.764 9.743) 14.423 ======================= Grid point 1804 (606/781) ======================= q-point: ( 0.45 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 0.000 -5.810 6.972) 9.075 3.018 ( 0.000 6.216 8.525) 10.550 4.183 ( -0.000 22.697 -11.721) 25.545 5.227 ( 0.000 -1.422 47.063) 47.085 6.393 ( -0.000 19.430 -18.209) 26.629 8.633 ( -0.000 18.107 -10.379) 20.871 10.208 ( 0.000 -0.672 5.531) 5.571 12.752 ( -0.000 16.034 -2.588) 16.242 13.280 ( -0.000 26.218 -2.957) 26.384 14.755 ( -0.000 19.830 -15.038) 24.888 18.310 ( 0.000 -12.159 -1.670) 12.273 21.500 ( 0.000 -11.887 11.407) 16.475 ======================= Grid point 1805 (607/781) ======================= q-point: ( 0.50 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -0.156 -5.709 5.772) 8.120 3.092 ( 0.530 3.128 4.943) 5.874 4.465 ( 10.089 23.089 -7.875) 26.399 5.325 ( 0.222 -5.461 42.039) 42.393 6.478 ( 1.319 7.897 -22.890) 24.250 8.829 ( -1.329 28.010 -3.432) 28.251 10.346 ( 14.141 0.065 6.040) 15.377 12.798 ( -10.494 18.501 -3.881) 21.621 13.568 ( 4.861 22.239 -3.148) 22.980 14.925 ( 5.079 13.575 -11.580) 18.552 18.204 ( -1.088 -6.217 -2.139) 6.664 21.396 ( -2.244 -11.587 9.511) 15.157 ======================= Grid point 1806 (608/781) ======================= q-point: ( 0.55 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( -0.038 -5.130 4.405) 6.762 3.121 ( -0.663 1.157 1.921) 2.339 4.867 ( 12.080 16.469 0.311) 20.426 5.408 ( 5.503 -3.036 28.218) 28.910 6.471 ( 0.958 1.122 -21.088) 21.139 9.094 ( -1.189 30.584 0.931) 30.621 10.694 ( 23.586 1.011 5.466) 24.232 12.788 ( -11.308 21.091 -4.535) 24.357 13.820 ( 2.955 17.460 -2.795) 17.928 15.109 ( 7.242 8.153 -8.082) 13.573 18.146 ( -0.756 -0.915 -2.628) 2.884 21.256 ( -4.174 -11.279 7.576) 14.214 ======================= Grid point 1807 (609/781) ======================= q-point: ( 0.60 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 0.284 -4.102 2.969) 5.071 3.108 ( -1.745 -0.036 0.376) 1.786 5.026 ( -1.079 -5.519 12.781) 13.963 5.754 ( 19.882 16.776 7.649) 27.116 6.430 ( 1.276 -1.502 -15.924) 16.046 9.366 ( -0.602 26.222 2.729) 26.370 11.157 ( 26.635 2.623 3.651) 27.011 12.818 ( -8.177 21.910 -3.401) 23.632 13.993 ( 0.933 13.130 -2.368) 13.375 15.267 ( 6.353 4.076 -5.179) 9.154 18.148 ( 0.872 2.993 -2.827) 4.209 21.082 ( -5.778 -11.106 5.747) 13.776 ======================= Grid point 1808 (610/781) ======================= q-point: ( 0.65 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 0.688 -2.641 1.506) 3.117 3.068 ( -2.268 -1.033 -0.017) 2.492 4.912 ( -4.551 -11.124 8.404) 14.666 6.269 ( 6.637 17.089 10.264) 21.011 6.451 ( 15.129 4.421 -16.883) 23.097 9.584 ( -0.012 17.149 3.237) 17.452 11.627 ( 22.331 6.310 0.314) 23.208 12.931 ( -1.627 19.920 -0.368) 19.989 14.097 ( -0.383 8.557 -1.662) 8.726 15.366 ( 3.712 1.520 -3.209) 5.137 18.216 ( 3.191 5.436 -2.728) 6.869 20.881 ( -6.959 -11.059 4.226) 13.733 ======================= Grid point 1809 (611/781) ======================= q-point: ( 0.70 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 1.030 -0.816 -0.024) 1.315 3.015 ( -2.170 -2.022 0.343) 2.986 4.741 ( -4.901 -10.099 3.081) 11.641 6.309 ( -2.305 0.236 1.301) 2.658 6.946 ( 18.082 25.002 -5.100) 31.274 9.710 ( 0.974 5.062 3.425) 6.188 12.006 ( 11.430 13.228 -3.488) 17.827 13.150 ( 7.054 14.370 2.695) 16.233 14.137 ( -1.047 2.846 -0.216) 3.040 15.407 ( 1.000 0.638 -2.125) 2.434 18.340 ( 5.244 6.755 -2.662) 8.956 20.661 ( -7.501 -11.042 3.289) 13.748 ======================= Grid point 1810 (612/781) ======================= q-point: ( 0.75 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 1.109 1.199 -1.707) 2.362 2.962 ( -1.392 -2.982 1.189) 3.499 4.583 ( -4.313 -6.988 0.070) 8.212 6.273 ( -1.651 -1.246 1.518) 2.565 7.426 ( 7.612 30.426 -4.328) 31.661 9.736 ( 2.880 -8.191 3.902) 9.519 12.251 ( 0.024 20.653 -5.371) 21.340 13.431 ( 11.070 8.216 1.774) 13.899 14.118 ( -0.499 -4.542 3.237) 5.600 15.411 ( -0.478 1.239 -1.766) 2.209 18.500 ( 6.198 7.454 -3.200) 10.209 20.439 ( -7.072 -10.935 3.338) 13.443 ======================= Grid point 1811 (613/781) ======================= q-point: ( 0.80 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 0.723 3.051 -3.554) 4.739 2.922 ( 0.022 -3.752 2.267) 4.384 4.465 ( -3.501 -3.478 -0.490) 4.959 6.244 ( -0.507 -1.652 1.869) 2.546 7.745 ( -5.488 33.266 -5.350) 34.137 9.683 ( 5.482 -19.224 4.980) 20.602 12.389 ( -8.147 25.557 -5.559) 27.394 13.636 ( 4.891 3.599 -4.732) 7.698 14.071 ( 3.388 -12.346 10.175) 16.353 15.418 ( 0.025 2.672 -1.867) 3.260 18.664 ( 5.434 7.827 -5.087) 10.801 20.241 ( -5.167 -10.557 4.993) 12.770 ======================= Grid point 1825 (614/781) ======================= q-point: ( 0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 0.000 -5.646 5.515) 7.893 3.125 ( 0.000 2.074 3.072) 3.707 4.574 ( -0.000 22.237 -7.115) 23.348 5.355 ( 0.000 -11.252 36.171) 37.881 6.465 ( -0.000 4.189 -20.480) 20.904 9.138 ( -0.000 33.575 -2.039) 33.637 10.247 ( 0.000 0.517 7.737) 7.754 13.036 ( -0.000 14.870 -3.675) 15.317 13.742 ( -0.000 23.711 -5.137) 24.261 14.962 ( -0.000 9.215 -9.139) 12.979 18.168 ( -0.000 -2.088 -1.208) 2.412 21.328 ( 0.000 -11.458 7.520) 13.706 ======================= Grid point 1826 (615/781) ======================= q-point: ( 0.55 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -0.044 -5.134 4.994) 7.162 3.144 ( -0.367 0.943 0.877) 1.339 4.847 ( 8.850 18.584 -3.552) 20.888 5.334 ( 2.717 -13.149 24.605) 28.030 6.440 ( -0.597 2.316 -13.866) 14.070 9.443 ( -2.453 33.399 -1.055) 33.505 10.400 ( 14.021 1.156 8.112) 16.239 13.108 ( -6.265 15.728 -4.419) 17.497 13.959 ( 0.992 20.422 -5.192) 21.095 15.050 ( 4.584 5.292 -6.232) 9.374 18.157 ( -0.611 1.646 -0.692) 1.888 21.218 ( -2.124 -11.221 5.424) 12.643 ======================= Grid point 1827 (616/781) ======================= q-point: ( 0.60 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 0.205 -4.188 4.315) 6.017 3.134 ( -1.366 0.082 -0.725) 1.549 5.020 ( -0.920 -5.570 9.603) 11.140 5.519 ( 21.339 7.784 2.719) 22.876 6.412 ( -1.445 1.510 -6.218) 6.560 9.687 ( -4.397 28.630 -0.551) 28.971 10.761 ( 23.400 1.888 7.244) 24.569 13.137 ( -7.203 17.171 -4.272) 19.104 14.125 ( -0.861 16.253 -4.844) 16.981 15.170 ( 6.630 2.095 -3.517) 7.792 18.177 ( -0.285 4.481 -0.268) 4.498 21.071 ( -4.048 -11.024 3.345) 12.211 ======================= Grid point 1828 (617/781) ======================= q-point: ( 0.65 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 0.686 -2.848 3.542) 4.596 3.097 ( -2.277 -0.643 -1.457) 2.778 4.893 ( -4.021 -12.431 7.535) 15.082 6.074 ( 28.819 13.454 -4.928) 32.184 6.389 ( -1.817 2.180 2.141) 3.555 9.839 ( -6.414 21.065 -0.719) 22.032 11.237 ( 27.512 2.680 5.746) 28.233 13.188 ( -5.376 17.546 -2.584) 18.532 14.217 ( -2.986 12.002 -4.740) 13.245 15.281 ( 6.029 -0.147 -1.470) 6.207 18.236 ( 1.053 6.375 0.253) 6.466 20.889 ( -5.652 -10.904 1.466) 12.369 ======================= Grid point 1829 (618/781) ======================= q-point: ( 0.70 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 1.247 -1.165 2.659) 3.160 3.040 ( -2.769 -1.383 -1.484) 3.432 4.724 ( -4.034 -10.882 3.640) 12.163 6.323 ( 0.050 -1.381 -4.463) 4.672 6.757 ( 27.172 18.242 4.002) 32.971 9.868 ( -8.603 11.151 -1.094) 14.126 11.748 ( 26.409 4.832 3.761) 27.109 13.286 ( -2.037 16.151 0.080) 16.279 14.227 ( -4.937 6.671 -4.769) 9.572 15.358 ( 4.051 -0.878 -0.213) 4.150 18.339 ( 2.934 7.496 0.779) 8.087 20.680 ( -6.741 -10.818 0.026) 12.747 ======================= Grid point 1830 (619/781) ======================= q-point: ( 0.75 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 1.664 0.762 1.548) 2.397 2.972 ( -2.667 -2.196 -0.981) 3.591 4.578 ( -3.307 -7.528 1.138) 8.301 6.284 ( -1.400 -1.750 -1.094) 2.494 7.399 ( 24.487 20.937 1.583) 32.256 9.758 ( -9.908 -0.674 -1.078) 9.989 12.220 ( 19.964 9.414 1.590) 22.130 13.429 ( 1.916 12.352 2.126) 12.679 14.151 ( -6.217 -0.377 -4.045) 7.427 15.402 ( 1.944 -0.135 0.239) 1.963 18.482 ( 4.550 8.159 0.919) 9.387 20.457 ( -7.029 -10.705 -0.647) 12.823 ======================= Grid point 1831 (620/781) ======================= q-point: ( 0.80 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 1.595 2.763 -0.000) 3.191 2.906 ( -1.783 -3.089 -0.000) 3.566 4.477 ( -2.259 -3.913 -0.000) 4.519 6.243 ( -1.115 -1.932 -0.000) 2.231 7.970 ( 14.934 25.866 -0.000) 29.867 9.527 ( -8.147 -14.111 -0.000) 16.294 12.598 ( 9.397 16.276 -0.000) 18.793 13.584 ( 4.033 6.985 0.000) 8.066 13.994 ( -5.422 -9.392 -0.000) 10.845 15.430 ( 0.779 1.350 -0.000) 1.559 18.648 ( 5.009 8.676 -0.000) 10.018 20.240 ( -6.068 -10.510 -0.000) 12.136 ======================= Grid point 1847 (621/781) ======================= q-point: ( 0.55 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 0.000 -4.741 5.246) 7.071 3.155 ( -0.000 0.527 -0.368) 0.643 4.940 ( -0.000 18.376 -4.400) 18.896 5.216 ( 0.000 -17.973 17.938) 25.393 6.439 ( -0.000 2.219 -6.775) 7.129 9.788 ( -0.000 32.623 -2.684) 32.733 10.314 ( 0.000 1.005 9.970) 10.020 13.280 ( -0.000 12.616 -4.719) 13.470 14.139 ( -0.000 20.495 -6.242) 21.425 15.035 ( -0.000 2.875 -3.614) 4.618 18.190 ( -0.000 3.847 0.706) 3.911 21.141 ( 0.000 -11.007 3.139) 11.446 ======================= Grid point 1848 (622/781) ======================= q-point: ( 0.60 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 0.119 -3.916 5.266) 6.563 3.150 ( -0.737 0.039 -1.622) 1.782 5.010 ( -3.349 -9.708 8.158) 13.115 5.270 ( 15.611 7.548 -0.464) 17.346 6.439 ( -0.871 1.676 -1.220) 2.248 10.035 ( -4.407 27.268 -2.808) 27.764 10.482 ( 14.096 1.957 9.542) 17.134 13.353 ( -3.198 12.128 -4.874) 13.456 14.299 ( -1.457 17.874 -6.360) 19.028 15.083 ( 4.073 0.841 -0.932) 4.262 18.235 ( -0.379 5.514 1.809) 5.816 21.023 ( -2.096 -10.759 0.815) 10.991 ======================= Grid point 1849 (623/781) ======================= q-point: ( 0.65 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 0.523 -2.711 5.131) 5.827 3.121 ( -1.744 -0.410 -2.495) 3.071 4.849 ( -3.358 -13.678 6.531) 15.524 5.712 ( 24.917 10.673 -3.962) 27.394 6.440 ( -0.932 1.561 3.482) 3.928 10.161 ( -7.357 20.503 -2.991) 21.987 10.846 ( 22.899 1.981 8.397) 24.471 13.400 ( -3.398 12.101 -3.637) 13.084 14.392 ( -4.054 14.372 -6.839) 16.424 15.170 ( 5.878 -0.795 1.208) 6.054 18.298 ( -0.008 6.724 2.881) 7.315 20.867 ( -4.022 -10.526 -1.391) 11.353 ======================= Grid point 1850 (624/781) ======================= q-point: ( 0.70 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 1.149 -1.221 4.861) 5.142 3.069 ( -2.665 -0.841 -2.847) 3.989 4.687 ( -3.063 -11.348 3.944) 12.399 6.185 ( 17.238 3.965 -9.258) 19.964 6.538 ( 12.382 7.046 10.654) 17.790 10.157 ( -11.373 12.709 -3.981) 17.513 11.323 ( 28.148 1.967 7.667) 29.240 13.461 ( -2.037 11.432 -1.071) 11.661 14.394 ( -7.107 9.581 -8.011) 14.369 15.265 ( 5.683 -1.120 2.500) 6.308 18.386 ( 1.176 7.553 3.982) 8.619 20.677 ( -5.586 -10.293 -3.280) 12.162 ======================= Grid point 1851 (625/781) ======================= q-point: ( 0.75 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 1.824 0.438 4.391) 4.775 3.000 ( -3.238 -1.302 -2.750) 4.443 4.554 ( -2.352 -8.037 1.965) 8.602 6.274 ( 0.618 -1.053 -4.106) 4.283 7.079 ( 30.962 11.429 6.658) 33.669 9.998 ( -15.612 3.877 -4.687) 16.755 11.857 ( 29.213 3.184 6.684) 30.137 13.545 ( -0.394 9.535 2.005) 9.752 14.288 ( -10.034 3.415 -9.273) 14.083 15.351 ( 4.181 -0.078 2.654) 4.953 18.509 ( 2.779 8.118 4.889) 9.875 20.463 ( -6.546 -10.031 -4.609) 12.834 ======================= Grid point 1869 (626/781) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 0.000 -3.244 5.897) 6.730 3.149 ( -0.000 -0.168 -2.450) 2.455 4.934 ( 0.000 -17.317 7.901) 19.035 5.227 ( -0.000 13.247 -2.863) 13.553 6.461 ( 0.000 1.191 1.360) 1.808 10.324 ( -0.000 24.020 -5.530) 24.649 10.397 ( 0.000 0.781 12.033) 12.058 13.464 ( -0.000 9.304 -5.700) 10.912 14.465 ( -0.000 16.772 -6.941) 18.152 15.055 ( 0.000 0.084 2.136) 2.138 18.304 ( 0.000 6.183 3.524) 7.116 20.936 ( 0.000 -10.413 -1.773) 10.563 ======================= Grid point 1870 (627/781) ======================= q-point: ( 0.65 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 0.297 -2.209 6.287) 6.671 3.131 ( -0.891 -0.421 -3.195) 3.344 4.776 ( -1.942 -14.465 5.637) 15.645 5.462 ( 14.479 9.731 -2.628) 17.642 6.473 ( -0.458 0.992 3.236) 3.416 10.429 ( -3.602 13.312 -0.317) 13.795 10.592 ( 11.768 4.870 6.068) 14.108 13.519 ( -1.074 7.874 -5.376) 9.595 14.571 ( -2.850 13.913 -7.916) 16.259 15.093 ( 3.305 -0.408 4.901) 5.926 18.377 ( -0.152 6.695 5.140) 8.442 20.810 ( -2.095 -10.034 -4.291) 11.112 ======================= Grid point 1871 (628/781) ======================= q-point: ( 0.70 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 0.845 -0.931 6.484) 6.605 3.092 ( -1.916 -0.612 -3.697) 4.209 4.630 ( -1.968 -11.459 3.991) 12.292 5.854 ( 22.317 6.064 -4.276) 23.518 6.503 ( 1.948 2.014 6.201) 6.805 10.434 ( -9.085 9.578 -4.690) 14.010 10.928 ( 22.256 0.997 9.312) 24.146 13.562 ( -0.450 6.608 -3.389) 7.440 14.581 ( -6.518 9.149 -9.609) 14.783 15.180 ( 4.919 0.344 6.467) 8.132 18.462 ( 0.324 7.126 6.804) 9.858 20.647 ( -3.999 -9.610 -6.578) 12.313 ======================= Grid point 1873 (629/781) ======================= q-point: (-0.25 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 1.572 0.435 6.479) 6.681 3.034 ( -2.885 -0.734 -3.871) 4.883 4.512 ( -1.462 -8.603 2.337) 9.033 6.179 ( 10.487 0.795 -6.600) 12.417 6.723 ( 20.389 5.475 9.596) 23.190 10.277 ( -14.522 2.501 -6.226) 15.997 11.400 ( 28.828 0.732 9.665) 30.414 13.614 ( 0.698 4.512 -0.382) 4.582 14.471 ( -10.204 3.600 -11.025) 15.447 15.293 ( 4.670 1.884 6.004) 7.836 18.570 ( 1.449 7.464 8.438) 11.358 20.453 ( -5.498 -9.105 -8.465) 13.594 ======================= Grid point 1891 (630/781) ======================= q-point: ( 0.65 0.65 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 0.000 -1.380 7.086) 7.219 3.123 ( -0.000 -0.602 -3.721) 3.769 4.669 ( 0.000 -13.352 4.759) 14.175 5.417 ( -0.000 7.677 -1.947) 7.920 6.496 ( 0.000 1.201 3.179) 3.399 10.481 ( 0.000 -0.034 13.756) 13.756 10.635 ( -0.000 11.684 -7.906) 14.107 13.570 ( -0.000 5.145 -6.589) 8.360 14.694 ( -0.000 10.734 -9.135) 14.095 15.087 ( 0.000 0.929 8.663) 8.713 18.461 ( 0.000 6.616 7.244) 9.811 20.716 ( -0.000 -9.478 -7.130) 11.860 ======================= Grid point 1893 (631/781) ======================= q-point: (-0.30 -0.35 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 0.453 -0.334 7.606) 7.627 3.098 ( -0.877 -0.741 -4.158) 4.314 4.554 ( -0.809 -11.178 3.622) 11.778 5.588 ( 13.238 4.509 -2.059) 14.136 6.522 ( 0.207 2.277 4.025) 4.629 10.576 ( 1.593 1.681 5.993) 6.425 10.698 ( 5.739 2.450 -0.439) 6.255 13.593 ( 0.407 3.100 -6.063) 6.822 14.713 ( -3.782 5.251 -10.270) 12.138 15.159 ( 2.458 3.370 10.379) 11.186 18.550 ( 0.084 6.604 9.386) 11.477 20.585 ( -2.076 -8.834 -9.777) 13.340 ======================= Grid point 1894 (632/781) ======================= q-point: (-0.25 -0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 1.091 0.765 7.892) 8.003 3.055 ( -1.832 -0.700 -4.441) 4.855 4.449 ( -0.673 -9.410 1.989) 9.642 5.898 ( 19.330 1.007 -3.653) 19.698 6.598 ( 4.700 4.252 6.645) 9.183 10.472 ( -10.327 -2.455 -6.341) 12.364 10.991 ( 22.616 -0.658 11.327) 25.302 13.612 ( 1.409 0.705 -4.083) 4.376 14.612 ( -7.553 0.198 -10.654) 13.061 15.280 ( 3.235 4.990 9.252) 10.998 18.650 ( 0.679 6.580 11.589) 13.344 20.420 ( -3.930 -8.035 -12.112) 15.057 ======================= Grid point 1914 (633/781) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 0.000 0.468 8.357) 8.371 3.084 ( -0.000 -1.024 -4.428) 4.545 4.463 ( 0.000 -10.707 2.557) 11.008 5.502 ( -0.000 2.001 -1.440) 2.466 6.562 ( 0.000 4.158 3.737) 5.591 10.553 ( 0.000 -1.192 15.016) 15.063 10.679 ( -0.000 -2.180 -8.832) 9.097 13.585 ( -0.000 0.512 -7.348) 7.365 14.741 ( -0.000 -0.036 -9.926) 9.926 15.221 ( 0.000 6.277 11.741) 13.314 18.642 ( 0.000 6.156 11.924) 13.420 20.488 ( -0.000 -7.930 -12.764) 15.027 ======================= Grid point 1915 (634/781) ======================= q-point: (-0.25 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 0.543 1.322 8.843) 8.958 3.054 ( -0.657 -1.126 -4.639) 4.819 4.362 ( -0.115 -10.632 0.719) 10.657 5.611 ( 12.355 -0.998 -1.675) 12.508 6.631 ( 0.613 6.832 4.942) 8.455 10.533 ( -5.436 -8.380 -5.292) 11.304 10.711 ( 12.705 -2.254 11.631) 17.372 13.566 ( 1.124 -1.968 -6.888) 7.251 14.659 ( -3.775 -4.214 -9.547) 11.097 15.333 ( 1.252 7.248 10.818) 13.082 18.740 ( 0.278 5.678 14.496) 15.571 20.357 ( -2.022 -6.776 -15.429) 16.972 ======================= Grid point 1936 (635/781) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 0.000 1.947 9.516) 9.714 3.032 ( -0.000 -1.639 -4.665) 4.944 4.250 ( 0.000 -12.316 -1.371) 12.392 5.479 ( -0.000 -3.560 -1.289) 3.786 6.726 ( 0.000 10.420 5.399) 11.736 10.453 ( -0.000 -15.623 -8.567) 17.818 10.609 ( 0.000 -2.377 15.736) 15.915 13.505 ( -0.000 -4.131 -7.939) 8.950 14.603 ( -0.000 -8.088 -8.922) 12.042 15.430 ( 0.000 7.759 10.726) 13.238 18.834 ( 0.000 4.641 17.219) 17.834 20.267 ( -0.000 -5.143 -18.258) 18.968 ======================= Grid point 2127 (636/781) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 770 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 0.000 -0.000 20.622) 20.622 0.943 ( 0.000 -0.000 20.622) 20.622 3.533 ( -0.000 0.000 -13.961) 13.961 3.533 ( -0.000 0.000 -13.961) 13.961 3.857 ( 0.000 -0.000 84.482) 84.482 9.706 ( -0.000 0.000 -38.959) 38.959 10.749 ( 0.000 0.000 0.920) 0.920 10.749 ( -0.000 -0.000 0.920) 0.920 11.362 ( 0.000 0.000 0.502) 0.502 11.362 ( -0.000 -0.000 0.502) 0.502 21.106 ( -0.000 0.000 -4.862) 4.862 22.459 ( 0.000 -0.000 6.457) 6.457 ======================= Grid point 2128 (637/781) ======================= q-point: ( 0.30 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 17.549 10.132 18.197) 27.235 1.553 ( 36.485 21.065 17.265) 45.530 3.479 ( 0.378 0.218 -14.408) 14.415 3.598 ( 9.093 5.250 -15.776) 18.950 4.121 ( 2.006 1.158 82.276) 82.308 9.510 ( -6.109 -3.527 -37.364) 38.024 10.843 ( 12.425 7.174 1.515) 14.427 11.001 ( 10.678 6.165 -3.361) 12.780 11.194 ( -5.213 -3.010 4.451) 7.487 12.046 ( 47.780 27.586 -19.813) 58.621 20.768 ( -27.545 -15.903 -0.768) 31.815 22.248 ( -15.224 -8.790 16.959) 24.426 ======================= Grid point 2129 (638/781) ======================= q-point: ( 0.35 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 22.397 12.931 16.547) 30.702 2.306 ( 21.661 12.506 18.632) 31.189 3.471 ( 2.914 1.683 -15.015) 15.388 3.906 ( 21.852 12.616 -12.637) 28.220 4.472 ( 11.510 6.645 71.216) 72.446 9.230 ( -9.345 -5.395 -35.571) 37.172 11.006 ( -3.731 -2.154 -8.754) 9.757 11.216 ( 19.573 11.300 4.365) 23.018 11.354 ( 12.712 7.339 9.030) 17.233 13.081 ( 47.327 27.324 -32.609) 63.638 20.035 ( -34.481 -19.908 4.971) 40.124 22.000 ( -11.999 -6.928 19.999) 24.330 ======================= Grid point 2130 (639/781) ======================= q-point: ( 0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 19.669 11.356 16.748) 28.219 2.621 ( 4.478 2.585 14.092) 15.011 3.537 ( 7.421 4.285 -15.585) 17.786 4.345 ( 12.701 7.333 26.773) 30.526 5.172 ( 37.367 21.574 28.174) 51.532 8.889 ( -11.871 -6.854 -32.282) 35.072 10.908 ( -2.497 -1.442 -8.869) 9.326 11.687 ( 14.416 8.323 7.994) 18.466 11.725 ( 23.794 13.738 5.844) 28.090 13.922 ( 35.623 20.567 -29.791) 50.789 19.341 ( -27.494 -15.874 2.447) 31.842 21.801 ( -11.077 -6.395 18.337) 22.358 ======================= Grid point 2131 (640/781) ======================= q-point: ( 0.45 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 11.643 6.722 15.422) 20.460 2.680 ( -0.884 -0.511 7.565) 7.633 3.738 ( 14.628 8.445 -13.719) 21.760 4.647 ( 5.713 3.298 43.467) 43.965 6.166 ( 43.721 25.242 4.441) 50.679 8.532 ( -11.552 -6.670 -24.839) 28.194 10.844 ( -0.749 -0.433 -10.169) 10.206 12.040 ( 14.777 8.532 7.979) 18.836 12.295 ( 24.906 14.379 6.408) 29.464 14.520 ( 24.836 14.339 -23.459) 37.050 18.828 ( -18.056 -10.424 -3.028) 21.067 21.603 ( -11.044 -6.376 16.404) 20.778 ======================= Grid point 2132 (641/781) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( -2.373 -1.370 2.403) 3.644 2.889 ( 4.601 2.656 11.079) 12.287 4.097 ( 19.225 11.099 -8.504) 23.772 4.864 ( 2.336 1.349 42.668) 42.754 7.004 ( 27.273 15.746 -17.206) 35.886 8.332 ( 2.449 1.414 -4.521) 5.332 10.812 ( 0.669 0.386 -11.668) 11.693 12.392 ( 14.344 8.282 8.134) 18.453 12.863 ( 23.743 13.708 6.598) 28.199 14.914 ( 15.980 9.226 -18.273) 25.969 18.512 ( -8.830 -5.098 -7.301) 12.540 21.399 ( -11.188 -6.459 14.770) 19.623 ======================= Grid point 2133 (642/781) ======================= q-point: ( 0.55 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -2.665 -1.539 -1.283) 3.334 2.980 ( 1.590 0.918 7.740) 7.954 4.511 ( 18.656 10.771 -4.225) 21.952 4.993 ( -1.085 -0.626 34.846) 34.869 7.149 ( -3.311 -1.912 -31.705) 31.934 8.749 ( 28.698 16.569 13.644) 35.836 10.801 ( 1.487 0.859 -13.146) 13.258 12.726 ( 13.111 7.570 8.340) 17.284 13.390 ( 21.266 12.278 6.832) 25.489 15.143 ( 9.081 5.243 -15.110) 18.392 18.380 ( -1.060 -0.612 -9.402) 9.481 21.187 ( -11.422 -6.594 13.511) 18.881 ======================= Grid point 2134 (643/781) ======================= q-point: ( 0.60 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( -2.325 -1.342 -3.771) 4.629 3.021 ( 0.405 0.234 6.047) 6.065 4.890 ( 15.505 8.952 -1.649) 17.979 5.011 ( -4.890 -2.823 22.635) 23.329 6.908 ( -8.270 -4.775 -24.173) 25.991 9.466 ( 29.134 16.820 13.179) 36.130 10.797 ( 1.597 0.922 -14.480) 14.596 13.023 ( 11.033 6.370 8.541) 15.338 13.854 ( 18.063 10.429 7.362) 22.118 15.249 ( 4.377 2.527 -13.477) 14.393 18.392 ( 4.244 2.450 -10.073) 11.202 20.966 ( -11.575 -6.683 12.704) 18.440 ======================= Grid point 2135 (644/781) ======================= q-point: ( 0.65 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -1.505 -0.869 -5.444) 5.715 3.039 ( -0.167 -0.096 5.236) 5.240 4.909 ( -8.103 -4.678 9.132) 13.074 5.189 ( 11.288 6.517 -0.083) 13.034 6.691 ( -5.559 -3.210 -13.979) 15.382 10.077 ( 21.341 12.321 11.536) 27.209 10.784 ( 1.051 0.607 -15.537) 15.584 13.265 ( 8.128 4.692 8.663) 12.772 14.239 ( 14.090 8.135 8.283) 18.256 15.277 ( 1.973 1.139 -12.728) 12.930 18.493 ( 6.969 4.024 -10.529) 13.252 20.744 ( -11.352 -6.554 12.531) 18.134 ======================= Grid point 2136 (645/781) ======================= q-point: ( 0.70 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -0.356 -0.205 -6.712) 6.724 3.046 ( -0.537 -0.310 4.843) 4.883 4.717 ( -9.667 -5.581 -0.485) 11.173 5.392 ( 6.613 3.818 0.867) 7.685 6.585 ( -1.247 -0.720 -6.586) 6.742 10.470 ( 10.527 6.078 10.207) 15.873 10.751 ( 0.054 0.031 -16.174) 16.174 13.434 ( 4.527 2.613 8.630) 10.090 14.523 ( 8.429 4.867 9.501) 13.602 15.282 ( 2.229 1.287 -12.549) 12.810 18.628 ( 7.672 4.430 -11.683) 14.662 20.536 ( -10.407 -6.009 13.295) 17.921 ======================= Grid point 2137 (646/781) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 0.856 0.494 -7.968) 8.029 3.043 ( -0.900 -0.519 4.671) 4.785 4.487 ( -10.129 -5.848 -3.044) 12.086 5.490 ( 1.760 1.016 1.326) 2.427 6.596 ( 3.675 2.122 -4.010) 5.839 10.599 ( -1.650 -0.953 9.176) 9.371 10.691 ( -1.090 -0.630 -16.264) 16.313 13.515 ( 0.500 0.289 8.391) 8.411 14.653 ( 0.393 0.227 9.912) 9.923 15.326 ( 5.060 2.922 -12.002) 13.349 18.756 ( 6.737 3.889 -14.008) 16.022 20.364 ( -8.290 -4.786 15.296) 18.044 ======================= Grid point 2148 (647/781) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 0.000 20.030 17.781) 26.784 1.606 ( 0.000 42.605 17.675) 46.125 3.487 ( -0.000 6.907 -15.959) 17.390 3.501 ( -0.000 3.588 -14.923) 15.349 4.359 ( 0.000 1.612 81.536) 81.552 9.400 ( -0.000 -5.984 -40.234) 40.676 10.541 ( 0.000 -9.817 1.599) 9.946 11.246 ( 0.000 22.671 9.906) 24.741 11.589 ( -0.000 12.600 -0.055) 12.600 11.676 ( -0.000 48.586 -26.001) 55.106 20.759 ( 0.000 -31.704 -1.007) 31.720 22.293 ( 0.000 -16.077 15.168) 22.102 ======================= Grid point 2149 (648/781) ======================= q-point: ( 0.35 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 12.881 22.716 16.602) 30.945 2.209 ( 15.609 27.425 19.009) 36.840 3.457 ( -1.477 6.245 -15.413) 16.696 3.691 ( 14.454 17.526 -18.371) 29.216 4.635 ( 2.943 3.704 77.627) 77.771 9.177 ( -4.701 -7.169 -39.522) 40.442 10.632 ( 19.004 -10.665 0.705) 21.804 11.337 ( -14.662 12.877 1.392) 19.563 11.605 ( -1.400 32.583 3.902) 32.846 12.582 ( 38.928 41.799 -29.310) 64.200 20.238 ( -19.058 -35.720 3.240) 40.616 22.128 ( -6.995 -12.322 17.905) 22.833 ======================= Grid point 2150 (649/781) ======================= q-point: ( 0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 15.564 20.695 16.952) 30.949 2.600 ( 6.340 4.904 15.712) 17.639 3.483 ( 1.850 8.817 -16.017) 18.377 4.211 ( 22.026 23.927 -3.939) 32.759 5.042 ( 14.987 12.620 59.462) 62.606 8.882 ( -7.920 -8.010 -36.813) 38.498 10.864 ( 13.990 -5.319 -5.503) 15.946 11.298 ( 1.904 7.110 4.389) 8.569 11.971 ( 3.747 32.770 6.842) 33.686 13.490 ( 34.737 32.462 -29.212) 55.802 19.564 ( -22.447 -28.918 3.194) 36.747 21.941 ( -8.487 -9.845 17.179) 21.542 ======================= Grid point 2151 (650/781) ======================= q-point: ( 0.45 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 10.098 12.499 16.791) 23.241 2.694 ( 1.415 -0.903 9.185) 9.337 3.626 ( 7.911 14.764 -15.423) 22.769 4.692 ( 9.773 10.459 30.738) 33.908 5.777 ( 33.983 24.755 20.157) 46.625 8.558 ( -9.151 -7.293 -30.605) 32.766 10.909 ( -3.584 6.603 -10.801) 13.157 11.594 ( 25.445 -3.944 8.611) 27.150 12.392 ( 6.595 31.252 6.993) 32.696 14.197 ( 26.292 23.278 -23.772) 42.405 18.984 ( -17.858 -20.030 -0.999) 26.854 21.748 ( -9.268 -8.891 15.357) 20.019 ======================= Grid point 2152 (651/781) ======================= q-point: ( 0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -1.228 -3.638 4.295) 5.761 2.894 ( 3.932 5.946 12.072) 14.020 3.953 ( 13.686 20.960 -10.093) 26.991 4.965 ( 3.013 3.559 41.233) 41.496 6.620 ( 32.616 19.393 -6.810) 38.552 8.317 ( -3.043 -1.013 -15.213) 15.547 10.874 ( -5.404 9.677 -12.112) 16.418 12.038 ( 27.531 -3.880 8.799) 29.163 12.834 ( 9.890 26.691 6.810) 29.268 14.696 ( 17.803 15.994 -18.159) 30.041 18.579 ( -10.601 -11.849 -5.351) 16.775 21.546 ( -9.771 -8.414 13.577) 18.725 ======================= Grid point 2153 (652/781) ======================= q-point: ( 0.55 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( -2.028 -3.382 0.270) 3.952 2.996 ( 1.035 2.063 7.962) 8.290 4.385 ( 14.089 22.056 -4.787) 26.606 5.114 ( -1.073 -0.051 37.380) 37.396 7.016 ( 7.747 0.925 -30.450) 31.433 8.512 ( 20.529 14.421 8.971) 26.644 10.850 ( -4.801 10.660 -13.256) 17.675 12.475 ( 23.425 -0.426 8.734) 25.004 13.277 ( 13.132 20.106 6.790) 24.956 15.011 ( 10.345 10.394 -14.282) 20.470 18.364 ( -3.091 -5.068 -7.940) 9.913 21.335 ( -10.173 -8.204 12.116) 17.821 ======================= Grid point 2154 (653/781) ======================= q-point: ( 0.60 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( -2.163 -2.629 -2.635) 4.306 3.036 ( 0.219 0.399 5.979) 5.996 4.798 ( 11.294 19.175 -1.389) 22.297 5.145 ( -4.992 -1.848 26.335) 26.868 6.895 ( -4.368 -4.734 -28.520) 29.238 9.165 ( 29.763 16.830 13.216) 36.657 10.839 ( -4.404 11.031 -14.283) 18.577 12.861 ( 17.677 3.001 8.538) 19.859 13.701 ( 15.220 13.525 7.209) 21.599 15.177 ( 4.679 6.332 -12.212) 14.530 18.316 ( 2.868 -0.205 -8.840) 9.296 21.115 ( -10.465 -8.144 11.087) 17.285 ======================= Grid point 2155 (654/781) ======================= q-point: ( 0.65 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -1.790 -1.665 -4.708) 5.305 3.052 ( -0.002 -0.488 5.139) 5.163 4.996 ( -4.326 -5.153 9.605) 11.727 5.190 ( 3.217 17.671 3.342) 18.270 6.703 ( -4.678 -3.107 -18.031) 18.885 9.823 ( 26.108 11.783 11.765) 30.966 10.829 ( -4.650 11.092 -15.029) 19.249 13.174 ( 11.994 4.719 8.212) 15.283 14.088 ( 15.251 8.230 8.100) 19.129 15.237 ( 1.274 3.723 -11.349) 12.012 18.384 ( 6.343 2.641 -9.116) 11.415 20.891 ( -10.427 -8.048 10.648) 16.937 ======================= Grid point 2156 (655/781) ======================= q-point: ( 0.70 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -1.012 -0.617 -6.242) 6.354 3.058 ( -0.091 -0.975 4.791) 4.891 4.814 ( -9.127 -7.530 1.382) 11.913 5.424 ( 1.931 16.575 1.488) 16.753 6.586 ( -2.235 -0.628 -9.132) 9.422 10.311 ( 17.747 4.839 10.056) 20.964 10.807 ( -5.480 11.022 -15.201) 19.559 13.401 ( 6.833 4.453 7.809) 11.291 14.411 ( 12.610 3.890 9.355) 16.176 15.244 ( 0.322 2.625 -11.306) 11.612 18.509 ( 7.523 3.887 -9.820) 12.967 20.675 ( -9.736 -7.691 11.058) 16.620 ======================= Grid point 2157 (656/781) ======================= q-point: ( 0.75 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -0.013 0.376 -7.542) 7.551 3.059 ( -0.252 -1.161 4.658) 4.807 4.583 ( -9.404 -6.545 -3.028) 11.851 5.571 ( -2.397 13.331 1.775) 13.661 6.561 ( 1.154 1.676 -4.930) 5.333 10.556 ( 6.688 -2.569 7.503) 10.374 10.770 ( -6.494 10.788 -13.718) 18.621 13.534 ( 2.100 2.697 7.366) 8.121 14.622 ( 6.431 -0.813 10.411) 12.264 15.256 ( 2.401 3.398 -11.638) 12.359 18.642 ( 6.943 3.994 -11.584) 14.084 20.486 ( -8.020 -6.825 12.633) 16.446 ======================= Grid point 2169 (657/781) ======================= q-point: ( 0.35 0.35 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 0.000 25.794 16.042) 30.375 2.413 ( 0.000 22.189 19.416) 29.484 3.500 ( -0.000 5.881 -16.400) 17.423 3.729 ( -0.000 32.203 -18.158) 36.970 4.873 ( 0.000 4.110 75.543) 75.654 9.023 ( -0.000 -8.120 -40.805) 41.605 10.388 ( 0.000 -7.269 2.956) 7.847 11.721 ( -0.000 23.170 7.025) 24.212 11.848 ( -0.000 14.381 -1.102) 14.423 12.613 ( -0.000 58.706 -31.949) 66.837 20.017 ( 0.000 -41.746 3.933) 41.931 22.106 ( 0.000 -13.431 16.864) 21.559 ======================= Grid point 2170 (658/781) ======================= q-point: ( 0.40 0.35 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 10.109 24.031 16.429) 30.816 2.622 ( 2.164 4.357 15.595) 16.336 3.516 ( 0.270 9.413 -17.170) 19.583 4.178 ( 13.347 39.414 -10.163) 42.836 5.173 ( 4.957 8.484 66.102) 66.829 8.791 ( -3.909 -8.187 -39.007) 40.048 10.476 ( 16.038 -6.689 2.748) 17.593 11.653 ( -19.434 18.953 -2.149) 27.231 12.193 ( 8.251 25.407 5.365) 27.247 13.283 ( 22.267 45.746 -28.137) 58.139 19.533 ( -10.939 -36.917 3.570) 38.668 21.989 ( -4.227 -12.216 15.737) 20.365 ======================= Grid point 2171 (659/781) ======================= q-point: ( 0.45 0.35 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 8.496 15.458 16.840) 24.387 2.680 ( 1.666 -1.664 9.901) 10.177 3.630 ( 5.414 16.734 -16.846) 24.354 4.733 ( 11.234 23.883 15.304) 30.509 5.644 ( 17.835 19.639 36.295) 44.957 8.523 ( -6.012 -6.440 -33.381) 34.524 10.754 ( 20.436 -4.192 -0.166) 20.862 11.554 ( -11.007 17.294 -1.270) 20.539 12.592 ( 6.860 26.750 5.703) 28.198 13.979 ( 22.672 32.712 -22.808) 45.872 19.014 ( -12.934 -27.441 0.535) 30.341 21.827 ( -6.480 -11.093 14.025) 19.020 ======================= Grid point 2172 (660/781) ======================= q-point: ( 0.50 0.35 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -0.706 -4.854 5.838) 7.625 2.933 ( 3.425 7.191 11.674) 14.133 3.948 ( 11.731 25.863 -11.064) 30.479 5.079 ( 3.354 8.371 36.446) 37.545 6.298 ( 26.051 19.873 1.295) 32.791 8.315 ( -3.431 0.163 -20.443) 20.729 10.989 ( 5.782 6.195 -7.764) 11.493 11.676 ( 11.080 8.435 5.202) 14.865 12.973 ( 6.842 24.439 5.315) 25.930 14.532 ( 17.616 22.807 -17.078) 33.498 18.596 ( -9.695 -17.610 -3.285) 20.369 21.641 ( -7.767 -10.267 12.199) 17.736 ======================= Grid point 2173 (661/781) ======================= q-point: ( 0.55 0.35 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( -1.346 -4.663 2.146) 5.306 3.029 ( 0.341 2.440 6.853) 7.282 4.406 ( 12.372 28.473 -4.853) 31.422 5.250 ( -1.330 1.689 38.024) 38.084 6.754 ( 15.200 4.049 -25.086) 29.610 8.399 ( 11.007 13.705 1.411) 17.634 11.049 ( -5.489 14.633 -11.995) 19.701 12.070 ( 24.549 2.466 8.410) 26.066 13.327 ( 7.713 20.059 5.053) 22.077 14.916 ( 11.215 15.394 -12.563) 22.816 18.335 ( -4.106 -9.070 -6.044) 11.647 21.439 ( -8.596 -9.757 10.569) 16.756 ======================= Grid point 2174 (662/781) ======================= q-point: ( 0.60 0.35 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -1.654 -3.720 -0.900) 4.170 3.057 ( -0.336 0.421 4.861) 4.891 4.845 ( 8.887 23.805 -0.439) 25.414 5.302 ( -4.775 1.053 28.363) 28.782 6.786 ( 2.128 -3.947 -30.199) 30.531 8.904 ( 24.377 17.879 11.061) 32.190 11.053 ( -7.875 17.516 -13.265) 23.341 12.543 ( 24.661 2.638 8.560) 26.237 13.654 ( 9.408 14.597 5.366) 18.176 15.142 ( 5.194 9.973 -9.810) 14.922 18.241 ( 1.572 -2.633 -7.248) 7.870 21.224 ( -9.167 -9.529 9.296) 16.164 ======================= Grid point 2175 (663/781) ======================= q-point: ( 0.65 0.35 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -1.617 -2.440 -3.313) 4.421 3.062 ( -0.286 -0.790 4.283) 4.365 5.042 ( -2.631 -2.097 8.205) 8.868 5.390 ( -0.853 21.739 8.421) 23.328 6.673 ( -1.446 -2.391 -21.392) 21.574 9.525 ( 26.111 12.427 10.966) 30.927 11.050 ( -8.613 18.698 -13.738) 24.749 12.977 ( 19.455 4.321 7.697) 21.363 13.962 ( 11.599 8.837 6.536) 15.979 15.241 ( 0.787 6.281 -8.545) 10.634 18.278 ( 5.591 1.431 -7.527) 9.485 21.001 ( -9.395 -9.427 8.546) 15.817 ======================= Grid point 2176 (664/781) ======================= q-point: ( 0.70 0.35 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -1.236 -1.047 -5.183) 5.430 3.060 ( -0.022 -1.573 4.241) 4.523 4.886 ( -8.184 -8.882 2.580) 12.350 5.637 ( -1.419 24.751 3.844) 25.088 6.589 ( -1.560 0.849 -12.487) 12.612 10.047 ( 21.623 4.669 9.440) 24.051 11.044 ( -9.441 19.281 -13.621) 25.424 13.313 ( 12.285 5.244 6.262) 14.752 14.252 ( 12.825 3.460 8.438) 15.737 15.258 ( -1.370 4.205 -8.330) 9.431 18.393 ( 7.356 3.505 -7.894) 11.345 20.779 ( -9.009 -9.222 8.560) 15.475 ======================= Grid point 2177 (665/781) ======================= q-point: ( 0.75 0.35 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -0.594 0.270 -6.663) 6.695 3.057 ( 0.243 -1.948 4.351) 4.773 4.658 ( -8.598 -7.592 -2.438) 11.726 5.818 ( -5.002 20.971 3.809) 21.893 6.564 ( -0.683 3.977 -7.739) 8.728 10.378 ( 13.389 -3.232 7.764) 15.811 11.026 ( -10.536 19.474 -12.752) 25.550 13.526 ( 5.517 4.287 4.900) 8.534 14.492 ( 10.617 -1.544 10.358) 14.912 15.249 ( -0.775 3.979 -8.935) 9.812 18.532 ( 7.169 4.212 -9.127) 12.347 20.576 ( -7.664 -8.656 9.667) 15.071 ======================= Grid point 2190 (666/781) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 0.000 23.199 16.252) 28.325 2.668 ( 0.000 -1.028 12.908) 12.949 3.549 ( -0.000 10.224 -18.354) 21.009 4.471 ( -0.000 44.227 -3.930) 44.401 5.404 ( 0.000 10.044 59.371) 60.215 8.635 ( -0.000 -6.941 -38.152) 38.778 10.293 ( 0.000 -4.764 4.638) 6.649 12.132 ( -0.000 15.656 -2.245) 15.816 12.231 ( -0.000 26.488 0.882) 26.503 13.496 ( -0.000 48.003 -23.731) 53.549 19.267 ( 0.000 -36.290 3.235) 36.434 21.944 ( 0.000 -12.784 14.207) 19.112 ======================= Grid point 2191 (667/781) ======================= q-point: ( 0.45 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( -0.171 -4.163 9.507) 10.380 2.737 ( 6.328 16.419 15.974) 23.765 3.651 ( 4.668 16.323 -18.065) 24.790 4.912 ( 4.439 30.938 13.403) 34.007 5.730 ( 6.852 16.855 36.719) 40.980 8.451 ( -2.835 -3.267 -32.824) 33.108 10.397 ( 14.701 -3.868 4.843) 15.954 12.025 ( -19.442 20.900 -4.380) 28.879 12.680 ( 12.464 23.191 1.382) 26.364 13.971 ( 11.647 38.073 -19.425) 44.301 18.894 ( -5.861 -29.331 1.409) 29.944 21.832 ( -3.148 -12.337 12.480) 17.829 ======================= Grid point 2192 (668/781) ======================= q-point: ( 0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -0.672 -5.567 6.516) 8.597 2.979 ( 3.227 6.992 10.799) 13.263 3.959 ( 12.757 25.315 -12.123) 30.831 5.244 ( 1.341 12.848 33.661) 36.055 6.153 ( 14.145 17.951 3.148) 23.070 8.325 ( -2.237 5.112 -20.917) 21.649 10.701 ( 21.981 -2.234 3.385) 22.352 11.925 ( -14.814 21.986 -4.456) 26.883 13.079 ( 8.656 21.464 1.972) 23.228 14.461 ( 13.836 27.176 -14.898) 33.940 18.543 ( -6.670 -20.003 -1.295) 21.125 21.678 ( -5.262 -11.607 10.648) 16.607 ======================= Grid point 2193 (669/781) ======================= q-point: ( 0.55 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -0.992 -5.395 3.695) 6.614 3.067 ( 0.095 2.262 5.327) 5.788 4.446 ( 14.990 28.345 -5.077) 32.464 5.417 ( -2.151 3.315 38.429) 38.631 6.484 ( 13.067 5.637 -21.866) 26.089 8.411 ( 5.002 17.141 -3.782) 18.252 11.052 ( 16.613 3.405 -1.504) 17.025 11.964 ( -1.928 18.780 -0.564) 18.887 13.406 ( 6.673 18.228 2.072) 19.521 14.858 ( 11.182 18.411 -10.607) 24.011 18.291 ( -4.051 -11.001 -3.665) 12.282 21.495 ( -6.686 -10.995 8.901) 15.647 ======================= Grid point 2194 (670/781) ======================= q-point: ( 0.60 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -1.183 -4.478 1.034) 4.746 3.082 ( -0.817 0.350 3.163) 3.285 4.916 ( 9.962 21.713 0.868) 23.905 5.488 ( -3.689 4.384 28.953) 29.515 6.582 ( 7.227 -2.488 -28.679) 29.680 8.784 ( 14.838 21.010 6.450) 26.518 11.270 ( 1.396 13.591 -8.205) 15.937 12.242 ( 15.928 11.120 5.269) 20.128 13.677 ( 6.246 14.007 2.406) 15.524 15.128 ( 6.480 11.930 -7.427) 15.475 18.175 ( 0.195 -3.790 -5.004) 6.280 21.292 ( -7.681 -10.658 7.405) 15.081 ======================= Grid point 2195 (671/781) ======================= q-point: ( 0.65 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -1.221 -3.093 -1.359) 3.593 3.073 ( -0.826 -0.918 2.739) 3.004 5.087 ( -2.549 -2.940 8.111) 8.996 5.655 ( 0.469 24.225 11.450) 26.798 6.571 ( 3.802 -1.478 -22.543) 22.909 9.289 ( 20.006 15.162 8.416) 26.476 11.353 ( -6.720 19.987 -10.898) 23.736 12.684 ( 22.030 7.223 6.870) 24.180 13.909 ( 7.091 9.218 3.494) 12.144 15.270 ( 1.723 7.468 -5.614) 9.500 18.187 ( 4.204 1.041 -5.436) 6.950 21.074 ( -8.274 -10.538 6.333) 14.819 ======================= Grid point 2196 (672/781) ======================= q-point: ( 0.70 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -1.087 -1.461 -3.415) 3.870 3.056 ( -0.422 -1.922 3.018) 3.603 4.934 ( -7.422 -9.900 3.100) 12.756 5.936 ( -1.672 25.678 7.670) 26.851 6.575 ( 1.884 4.637 -15.743) 16.519 9.762 ( 20.199 6.002 7.844) 22.485 11.388 ( -9.877 22.968 -11.219) 27.403 13.120 ( 18.759 6.305 5.446) 20.526 14.121 ( 8.974 3.905 5.735) 11.343 15.312 ( -1.605 4.838 -4.950) 7.105 18.289 ( 6.616 3.702 -5.661) 9.461 20.849 ( -8.269 -10.444 5.926) 14.580 ======================= Grid point 2197 (673/781) ======================= q-point: ( 0.75 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -0.793 0.181 -5.123) 5.187 3.041 ( 0.194 -2.600 3.494) 4.360 4.711 ( -7.786 -8.606 -1.626) 11.718 6.112 ( -4.202 16.509 7.388) 18.569 6.636 ( -1.287 14.526 -11.614) 18.642 10.109 ( 16.393 -3.306 6.906) 18.092 11.403 ( -11.904 24.534 -10.634) 29.270 13.445 ( 11.230 5.423 2.624) 12.744 14.319 ( 10.508 -1.715 8.891) 13.872 15.299 ( -2.641 4.021 -5.217) 7.096 18.432 ( 7.075 4.852 -6.470) 10.745 20.634 ( -7.348 -10.135 6.514) 14.112 ======================= Grid point 2211 (674/781) ======================= q-point: ( 0.45 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 0.000 -5.693 8.215) 9.995 2.875 ( 0.000 12.887 14.154) 19.142 3.721 ( -0.000 19.195 -17.386) 25.898 5.210 ( 0.000 23.100 24.589) 33.738 5.929 ( 0.000 17.991 19.320) 26.400 8.381 ( -0.000 3.381 -27.687) 27.893 10.256 ( 0.000 -2.487 6.560) 7.016 12.427 ( -0.000 16.288 -3.371) 16.633 12.748 ( -0.000 27.169 -3.546) 27.400 14.186 ( -0.000 34.352 -15.279) 37.596 18.674 ( 0.000 -25.437 1.244) 25.468 21.770 ( 0.000 -12.584 10.765) 16.560 ======================= Grid point 2212 (675/781) ======================= q-point: ( 0.50 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( -0.537 -6.108 6.534) 8.960 3.027 ( 1.904 5.995 9.215) 11.157 3.966 ( 9.524 24.481 -12.413) 29.054 5.459 ( -0.514 9.083 38.419) 39.481 6.161 ( 4.730 15.565 -6.709) 17.596 8.385 ( -0.910 14.030 -17.212) 22.225 10.379 ( 13.956 -1.594 6.965) 15.679 12.403 ( -15.938 20.595 -5.349) 26.585 13.121 ( 10.407 22.620 -2.675) 25.043 14.507 ( 7.008 26.128 -11.909) 29.557 18.434 ( -2.985 -18.083 0.153) 18.328 21.656 ( -2.563 -12.236 8.941) 15.370 ======================= Grid point 2213 (676/781) ======================= q-point: ( 0.55 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -0.799 -5.826 4.690) 7.522 3.099 ( 0.129 1.989 3.876) 4.359 4.420 ( 16.677 26.079 -5.956) 31.524 5.590 ( -2.158 -0.858 40.595) 40.661 6.319 ( 5.931 7.106 -23.463) 25.222 8.543 ( 1.579 24.154 -5.497) 24.822 10.704 ( 22.338 -0.333 6.065) 23.149 12.338 ( -14.213 23.140 -5.822) 27.774 13.465 ( 7.332 18.443 -1.615) 19.913 14.834 ( 9.313 17.931 -8.607) 21.962 18.241 ( -3.084 -10.000 -1.224) 10.536 21.502 ( -4.519 -11.752 7.117) 14.463 ======================= Grid point 2214 (677/781) ======================= q-point: ( 0.60 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -0.868 -4.960 2.745) 5.735 3.108 ( -0.995 0.330 1.438) 1.780 4.920 ( 13.640 19.664 0.316) 23.933 5.640 ( -0.510 -0.403 28.401) 28.408 6.377 ( 5.326 1.085 -24.071) 24.677 8.853 ( 5.859 26.290 1.414) 26.972 11.116 ( 22.026 2.840 3.109) 22.425 12.363 ( -6.913 22.835 -3.710) 24.145 13.723 ( 4.969 14.368 -0.853) 15.227 15.103 ( 7.812 11.371 -5.617) 14.896 18.137 ( -1.004 -3.083 -2.262) 3.953 21.319 ( -5.992 -11.416 5.432) 13.991 ======================= Grid point 2215 (678/781) ======================= q-point: ( 0.65 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -0.818 -3.598 0.795) 3.775 3.088 ( -1.327 -0.817 0.889) 1.794 5.112 ( -1.603 -3.951 7.233) 8.396 5.862 ( 7.620 21.365 11.933) 25.630 6.403 ( 5.758 -0.902 -18.570) 19.463 9.226 ( 9.675 20.343 3.831) 22.850 11.470 ( 11.418 10.098 -2.191) 15.400 12.550 ( 6.150 17.970 0.888) 19.014 13.915 ( 4.094 10.094 0.145) 10.893 15.279 ( 4.183 6.694 -3.494) 8.632 18.134 ( 2.111 1.806 -2.736) 3.900 21.112 ( -7.024 -11.290 4.059) 13.902 ======================= Grid point 2216 (679/781) ======================= q-point: ( 0.70 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -0.707 -1.867 -1.078) 2.269 3.056 ( -1.117 -1.881 1.244) 2.517 4.960 ( -6.632 -10.956 3.123) 13.182 6.201 ( -0.362 18.504 11.134) 21.599 6.506 ( 10.226 10.604 -16.378) 22.028 9.574 ( 12.180 10.072 4.354) 16.394 11.682 ( -0.724 18.538 -6.072) 19.520 12.899 ( 15.979 11.542 3.584) 20.034 14.063 ( 4.478 5.206 1.902) 7.125 15.358 ( 0.383 3.895 -2.374) 4.577 18.219 ( 4.841 4.659 -2.921) 7.326 20.890 ( -7.480 -11.262 3.231) 13.901 ======================= Grid point 2217 (680/781) ======================= q-point: ( 0.75 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( -0.594 0.033 -2.831) 2.893 3.024 ( -0.466 -2.816 1.985) 3.476 4.744 ( -6.918 -9.506 -0.796) 11.783 6.278 ( -2.240 3.187 5.505) 6.744 6.814 ( 3.808 28.657 -8.592) 30.159 9.843 ( 12.876 -1.393 4.434) 13.689 11.795 ( -7.654 23.933 -6.978) 26.078 13.278 ( 15.595 7.562 1.952) 17.441 14.184 ( 6.137 -0.678 5.085) 7.999 15.367 ( -2.063 2.911 -2.143) 4.162 18.357 ( 6.146 6.021 -3.418) 9.258 20.666 ( -7.075 -11.144 3.272) 13.599 ======================= Grid point 2233 (681/781) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 0.000 -6.325 6.024) 8.734 3.084 ( 0.000 3.768 6.099) 7.169 4.085 ( -0.000 25.037 -10.237) 27.049 5.627 ( 0.000 -1.388 43.951) 43.973 6.225 ( -0.000 12.714 -20.389) 24.028 8.538 ( -0.000 24.603 -11.008) 26.953 10.271 ( 0.000 -0.641 8.647) 8.671 12.721 ( -0.000 16.106 -4.439) 16.707 13.239 ( -0.000 26.107 -6.153) 26.822 14.649 ( -0.000 20.752 -9.027) 22.630 18.306 ( 0.000 -12.928 0.757) 12.950 21.581 ( 0.000 -12.278 7.109) 14.188 ======================= Grid point 2234 (682/781) ======================= q-point: ( 0.55 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -0.474 -6.009 5.149) 7.927 3.124 ( 0.035 1.599 2.322) 2.820 4.402 ( 11.238 24.666 -6.331) 27.835 5.677 ( -0.944 -10.936 37.137) 38.725 6.279 ( 1.007 9.419 -21.547) 23.537 8.789 ( -0.224 31.412 -5.467) 31.885 10.412 ( 13.526 0.103 9.081) 16.292 12.756 ( -11.017 18.859 -5.752) 22.586 13.530 ( 5.922 21.847 -5.413) 23.273 14.846 ( 5.296 14.439 -6.335) 16.633 18.198 ( -1.553 -6.632 0.671) 6.844 21.461 ( -2.239 -12.036 5.216) 13.308 ======================= Grid point 2235 (683/781) ======================= q-point: ( 0.60 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -0.618 -5.192 4.030) 6.601 3.129 ( -0.855 0.353 -0.048) 0.926 4.857 ( 15.500 19.982 -1.746) 25.349 5.632 ( 1.816 -12.317 19.722) 23.323 6.318 ( 0.339 6.164 -11.458) 13.015 9.089 ( 0.153 31.478 -2.308) 31.563 10.754 ( 22.391 1.068 8.274) 23.895 12.742 ( -11.118 21.577 -6.019) 25.008 13.789 ( 3.931 16.851 -4.160) 17.796 15.057 ( 7.513 8.956 -3.793) 12.290 18.136 ( -1.439 -0.934 0.345) 1.750 21.304 ( -4.109 -11.793 3.368) 12.935 ======================= Grid point 2236 (684/781) ======================= q-point: ( 0.65 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -0.513 -3.910 2.769) 4.818 3.106 ( -1.525 -0.566 -0.852) 1.836 5.105 ( 0.091 -3.699 5.443) 6.582 5.802 ( 19.410 10.250 1.168) 21.981 6.341 ( -0.774 3.367 -2.430) 4.224 9.374 ( 0.689 25.873 -1.004) 25.901 11.200 ( 24.609 2.963 6.237) 25.560 12.784 ( -7.023 22.305 -4.498) 23.813 13.969 ( 1.905 12.359 -3.106) 12.885 15.236 ( 6.466 4.724 -1.760) 8.199 18.137 ( 0.139 3.319 0.159) 3.326 21.115 ( -5.581 -11.680 1.723) 13.059 ======================= Grid point 2237 (685/781) ======================= q-point: ( 0.70 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -0.298 -2.215 1.428) 2.652 3.065 ( -1.743 -1.505 -0.698) 2.406 4.962 ( -5.685 -11.900 2.807) 13.484 6.313 ( 13.668 5.058 -14.203) 20.350 6.374 ( 7.612 17.827 13.378) 23.553 9.596 ( 1.285 16.295 -0.508) 16.354 11.642 ( 19.304 7.367 3.078) 20.890 12.922 ( 0.322 19.884 -1.741) 19.962 14.080 ( 0.854 7.552 -1.961) 7.849 15.350 ( 3.576 2.025 -0.492) 4.139 18.205 ( 2.410 5.988 0.158) 6.457 20.902 ( -6.536 -11.669 0.501) 13.384 ======================= Grid point 2238 (686/781) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -0.130 -0.225 -0.000) 0.259 3.017 ( -1.439 -2.492 -0.000) 2.877 4.754 ( -5.910 -10.237 -0.000) 11.820 6.315 ( -0.819 -1.418 -0.000) 1.638 6.924 ( 15.936 27.602 0.000) 31.872 9.725 ( 2.369 4.103 -0.000) 4.738 11.990 ( 8.523 14.763 -0.000) 17.046 13.163 ( 8.129 14.080 -0.000) 16.259 14.136 ( 0.928 1.607 -0.000) 1.856 15.397 ( 0.609 1.055 -0.000) 1.218 18.329 ( 4.267 7.391 -0.000) 8.534 20.676 ( -6.723 -11.645 -0.000) 13.446 ======================= Grid point 2255 (687/781) ======================= q-point: ( 0.55 0.55 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 0.000 -5.799 5.167) 7.767 3.141 ( 0.000 0.966 0.422) 1.054 4.519 ( -0.000 23.267 -5.318) 23.867 5.628 ( 0.000 -17.821 23.330) 29.358 6.318 ( -0.000 8.648 -10.212) 13.382 9.106 ( -0.000 35.178 -5.175) 35.557 10.328 ( 0.000 0.590 10.770) 10.786 12.996 ( -0.000 14.939 -5.438) 15.898 13.687 ( -0.000 23.856 -7.469) 24.998 14.905 ( -0.000 10.042 -3.729) 10.712 18.170 ( 0.000 -2.342 1.764) 2.932 21.375 ( 0.000 -12.011 3.223) 12.436 ======================= Grid point 2256 (688/781) ======================= q-point: ( 0.60 0.55 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -0.312 -5.100 4.861) 7.052 3.142 ( -0.512 0.297 -1.303) 1.432 4.817 ( 10.462 20.099 -3.085) 22.868 5.496 ( 0.889 -18.528 10.344) 21.238 6.371 ( -0.564 5.760 -0.268) 5.793 9.418 ( -1.775 33.925 -4.802) 34.309 10.484 ( 13.302 1.119 11.030) 17.317 13.062 ( -6.367 16.042 -6.014) 18.277 13.905 ( 1.678 20.357 -6.979) 21.585 15.017 ( 4.578 6.144 -1.235) 7.761 18.164 ( -0.928 1.655 2.286) 2.971 21.248 ( -2.081 -11.879 1.212) 12.121 ======================= Grid point 2257 (689/781) ======================= q-point: ( 0.65 0.55 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( -0.291 -3.940 4.337) 5.867 3.121 ( -1.304 -0.329 -2.233) 2.607 5.075 ( 1.194 -2.345 3.282) 4.207 5.523 ( 18.433 2.592 -2.673) 18.805 6.407 ( -1.198 3.439 5.549) 6.637 9.665 ( -3.649 28.641 -4.463) 29.215 10.837 ( 22.327 1.734 10.058) 24.549 13.094 ( -6.795 17.831 -5.521) 19.865 14.077 ( -0.117 15.777 -6.099) 16.915 15.157 ( 6.483 2.883 0.647) 7.125 18.188 ( -0.765 4.808 2.649) 5.543 21.082 ( -3.902 -11.778 -0.682) 12.426 ======================= Grid point 2258 (690/781) ======================= q-point: ( 0.70 0.55 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -0.016 -2.378 3.666) 4.370 3.080 ( -1.949 -1.016 -2.382) 3.241 4.937 ( -4.681 -12.653 2.390) 13.701 6.009 ( 25.326 11.261 -8.716) 29.055 6.453 ( 1.428 4.864 11.400) 12.477 9.816 ( -5.660 20.663 -4.459) 21.883 11.300 ( 26.101 2.751 8.616) 27.624 13.160 ( -4.547 18.493 -3.821) 19.424 14.171 ( -2.161 10.965 -5.586) 12.494 15.282 ( 5.706 0.539 1.772) 5.999 18.251 ( 0.459 6.999 3.074) 7.658 20.885 ( -5.321 -11.734 -2.263) 13.081 ======================= Grid point 2277 (691/781) ======================= q-point: ( 0.60 0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 0.000 -4.580 5.299) 7.004 3.143 ( -0.000 0.086 -2.396) 2.397 4.906 ( -0.000 18.777 -3.072) 19.027 5.320 ( 0.000 -19.816 5.121) 20.467 6.428 ( 0.000 3.415 4.892) 5.966 9.748 ( -0.000 32.697 -6.509) 33.339 10.414 ( 0.000 1.084 12.753) 12.799 13.231 ( -0.000 12.680 -6.362) 14.186 14.076 ( -0.000 20.776 -8.058) 22.284 15.026 ( 0.000 3.802 1.686) 4.159 18.209 ( 0.000 4.003 3.573) 5.365 21.150 ( 0.000 -11.808 -0.991) 11.850 ======================= Grid point 2278 (692/781) ======================= q-point: ( 0.65 0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -0.102 -3.603 5.443) 6.528 3.128 ( -0.748 -0.245 -3.200) 3.295 5.052 ( -1.891 -4.946 1.818) 5.598 5.262 ( 13.687 2.756 -2.110) 14.121 6.465 ( -0.508 1.561 7.053) 7.241 9.993 ( -3.748 27.694 -6.765) 28.754 10.579 ( 13.189 1.445 12.516) 18.240 13.304 ( -2.785 12.378 -6.320) 14.175 14.235 ( -1.191 17.878 -7.988) 19.618 15.096 ( 3.773 1.800 3.933) 5.740 18.264 ( -0.579 5.930 4.554) 7.499 21.013 ( -2.009 -11.690 -3.132) 12.268 ======================= Grid point 2280 (693/781) ======================= q-point: (-0.30 -0.40 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 0.113 -2.237 5.377) 5.825 3.094 ( -1.612 -0.654 -3.557) 3.960 4.888 ( -3.666 -13.375 2.126) 14.030 5.674 ( 23.505 10.705 -4.517) 26.220 6.494 ( 0.484 1.183 8.795) 8.887 10.119 ( -7.132 20.730 -6.661) 22.912 10.933 ( 22.180 1.562 11.456) 25.013 13.362 ( -2.465 12.710 -4.925) 13.852 14.325 ( -3.806 13.701 -8.182) 16.406 15.198 ( 5.263 0.204 5.108) 7.337 18.335 ( -0.342 7.443 5.519) 9.272 20.838 ( -3.780 -11.567 -5.045) 13.174 ======================= Grid point 2300 (694/781) ======================= q-point: (-0.35 -0.35 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 0.000 -2.854 6.139) 6.770 3.122 ( -0.000 -0.348 -3.834) 3.850 4.977 ( 0.000 -16.769 1.924) 16.879 5.206 ( -0.000 13.422 -1.988) 13.568 6.497 ( 0.000 0.269 6.850) 6.856 10.261 ( -0.000 23.905 -8.621) 25.412 10.514 ( 0.000 0.831 14.416) 14.440 13.408 ( -0.000 9.364 -7.190) 11.806 14.395 ( -0.000 16.794 -8.700) 18.913 15.095 ( 0.000 1.188 7.025) 7.125 18.346 ( 0.000 6.803 6.107) 9.142 20.904 ( -0.000 -11.504 -5.544) 12.771 ======================= Grid point 2301 (695/781) ======================= q-point: (-0.30 -0.35 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 0.126 -1.736 6.521) 6.749 3.098 ( -0.875 -0.555 -4.213) 4.338 4.810 ( -2.067 -13.869 2.268) 14.205 5.440 ( 13.994 9.891 -2.206) 17.277 6.516 ( 0.120 -0.009 6.591) 6.593 10.390 ( -5.088 16.972 -7.561) 19.264 10.681 ( 12.940 1.169 13.066) 18.426 13.465 ( -0.283 8.037 -6.772) 10.513 14.494 ( -2.925 13.403 -9.376) 16.617 15.154 ( 2.766 0.875 8.848) 9.312 18.433 ( -0.279 7.592 7.600) 10.746 20.757 ( -1.959 -11.263 -7.779) 13.828 ======================= Grid point 2322 (696/781) ======================= q-point: (-0.30 -0.30 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 0.000 -0.895 7.197) 7.252 3.087 ( -0.000 -0.672 -4.516) 4.566 4.703 ( 0.000 -12.967 2.800) 13.266 5.402 ( -0.000 7.762 -1.464) 7.899 6.533 ( 0.000 0.313 5.149) 5.158 10.558 ( -0.000 11.755 -9.586) 15.168 10.610 ( 0.000 -0.037 15.618) 15.618 13.506 ( -0.000 5.205 -7.883) 9.447 14.609 ( -0.000 10.131 -10.028) 14.254 15.176 ( 0.000 2.189 11.423) 11.631 18.535 ( 0.000 7.756 9.573) 12.321 20.640 ( -0.000 -10.864 -10.352) 15.007 ======================= Grid point 2556 (697/781) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 781 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 0.000 -0.000 19.378) 19.378 1.118 ( 0.000 -0.000 19.378) 19.378 3.407 ( -0.000 0.000 -14.657) 14.657 3.407 ( -0.000 0.000 -14.657) 14.657 4.587 ( 0.000 -0.000 81.981) 81.981 9.335 ( -0.000 0.000 -45.623) 45.623 10.757 ( 0.000 0.000 0.822) 0.822 10.757 ( -0.000 -0.000 0.822) 0.822 11.367 ( 0.000 0.000 0.512) 0.512 11.367 ( -0.000 -0.000 0.512) 0.512 21.066 ( -0.000 0.000 -4.154) 4.154 22.513 ( 0.000 -0.000 5.685) 5.685 ======================= Grid point 2557 (698/781) ======================= q-point: ( 0.35 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 16.687 9.634 17.671) 26.145 1.706 ( 36.574 21.116 17.555) 45.736 3.352 ( 0.281 0.162 -14.521) 14.524 3.453 ( 7.737 4.467 -17.035) 19.236 4.832 ( 0.967 0.558 79.891) 79.899 9.148 ( -4.403 -2.542 -45.269) 45.553 10.862 ( 13.502 7.795 2.957) 15.869 10.952 ( 5.340 3.083 -7.006) 9.333 11.250 ( -0.116 -0.067 7.615) 7.617 11.906 ( 38.727 22.359 -13.087) 46.594 20.757 ( -25.043 -14.459 -1.554) 28.959 22.373 ( -11.350 -6.553 11.888) 17.694 ======================= Grid point 2558 (699/781) ======================= q-point: ( 0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 22.358 12.909 16.867) 30.839 2.471 ( 20.881 12.056 18.966) 30.677 3.339 ( 2.592 1.496 -14.989) 15.285 3.760 ( 26.843 15.498 -18.916) 36.312 5.116 ( 5.068 2.926 73.865) 74.097 8.885 ( -7.324 -4.228 -43.058) 43.881 10.917 ( -3.083 -1.780 -11.033) 11.593 11.263 ( 20.248 11.690 6.312) 24.218 11.442 ( 11.719 6.766 10.524) 17.143 12.833 ( 44.918 25.933 -24.410) 57.324 20.065 ( -33.610 -19.405 2.038) 38.863 22.154 ( -11.430 -6.599 15.156) 20.097 ======================= Grid point 2559 (700/781) ======================= q-point: ( 0.45 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 19.770 11.414 18.167) 29.175 2.733 ( 1.945 1.123 11.381) 11.601 3.397 ( 7.362 4.250 -16.204) 18.298 4.450 ( 30.733 17.744 1.028) 35.503 5.544 ( 18.200 10.508 52.593) 56.636 8.580 ( -8.830 -5.098 -38.226) 39.563 10.818 ( -2.489 -1.437 -11.416) 11.772 11.766 ( 14.012 8.090 9.565) 18.796 11.785 ( 23.884 13.790 7.974) 28.709 13.688 ( 36.698 21.188 -23.627) 48.518 19.354 ( -28.874 -16.670 0.504) 33.344 21.944 ( -11.247 -6.493 14.214) 19.253 ======================= Grid point 2560 (701/781) ======================= q-point: ( 0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( -2.679 -1.547 5.014) 5.892 2.817 ( 9.810 5.664 16.538) 20.046 3.617 ( 16.656 9.616 -13.834) 23.691 4.976 ( 11.970 6.911 30.781) 33.742 6.240 ( 32.104 18.535 12.545) 39.136 8.304 ( -5.655 -3.265 -26.676) 27.464 10.744 ( -0.944 -0.545 -12.340) 12.388 12.116 ( 14.573 8.414 9.088) 19.125 12.360 ( 24.728 14.277 8.409) 29.766 14.334 ( 26.375 15.227 -18.759) 35.769 18.799 ( -19.769 -11.414 -3.458) 23.088 21.730 ( -11.229 -6.483 12.457) 17.980 ======================= Grid point 2561 (702/781) ======================= q-point: ( 0.55 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -3.702 -2.137 0.846) 4.357 2.984 ( 2.849 1.645 10.366) 10.875 4.029 ( 21.205 12.243 -6.738) 25.396 5.219 ( 1.578 0.911 38.263) 38.307 6.830 ( 16.739 9.664 -22.760) 29.859 8.308 ( 13.320 7.690 -0.851) 15.404 10.701 ( 0.398 0.229 -13.398) 13.406 12.467 ( 14.244 8.224 8.815) 18.661 12.929 ( 23.531 13.585 8.373) 28.432 14.770 ( 16.960 9.792 -14.414) 24.317 18.451 ( -9.966 -5.754 -6.562) 13.247 21.512 ( -11.244 -6.492 10.853) 16.922 ======================= Grid point 2562 (703/781) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -3.641 -2.102 -2.135) 4.716 3.045 ( 0.794 0.458 6.905) 6.966 4.482 ( 19.665 11.354 -2.396) 22.834 5.284 ( -4.825 -2.786 31.256) 31.749 6.866 ( -1.890 -1.091 -32.746) 32.819 8.864 ( 30.025 17.335 12.483) 36.849 10.680 ( 1.194 0.689 -14.393) 14.459 12.801 ( 13.079 7.551 8.635) 17.396 13.457 ( 21.158 12.216 8.360) 25.822 15.024 ( 9.428 5.443 -11.859) 16.098 18.304 ( -1.599 -0.923 -7.868) 8.082 21.288 ( -11.313 -6.532 9.657) 16.245 ======================= Grid point 2563 (704/781) ======================= q-point: ( 0.65 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -3.016 -1.742 -4.299) 5.533 3.072 ( 0.072 0.042 5.443) 5.444 4.881 ( 16.016 9.247 -0.203) 18.494 5.188 ( -9.782 -5.648 17.300) 20.661 6.700 ( -4.083 -2.357 -22.629) 23.115 9.579 ( 28.652 16.542 12.187) 35.258 10.666 ( 1.326 0.765 -15.188) 15.265 13.099 ( 11.037 6.372 8.472) 15.304 13.924 ( 18.120 10.461 8.578) 22.613 15.141 ( 4.348 2.511 -10.786) 11.897 18.313 ( 3.897 2.250 -8.087) 9.255 21.062 ( -11.258 -6.500 9.023) 15.824 ======================= Grid point 2564 (705/781) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -2.005 -1.157 -5.905) 6.342 3.083 ( -0.303 -0.175 4.802) 4.815 4.967 ( -11.973 -6.913 4.046) 14.405 5.193 ( 11.553 6.670 0.951) 13.374 6.578 ( -2.220 -1.282 -11.401) 11.686 10.176 ( 20.886 12.059 10.732) 26.397 10.646 ( 0.850 0.491 -15.642) 15.673 13.340 ( 8.134 4.696 8.245) 12.498 14.316 ( 14.351 8.285 9.092) 18.901 15.174 ( 1.724 0.995 -10.652) 10.837 18.410 ( 6.427 3.711 -8.387) 11.199 20.840 ( -10.747 -6.205 9.162) 15.425 ======================= Grid point 2577 (706/781) ======================= q-point: ( 0.35 0.35 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 0.000 19.071 16.817) 25.426 1.762 ( 0.000 43.109 17.730) 46.613 3.344 ( -0.000 5.243 -16.287) 17.110 3.367 ( -0.000 3.212 -15.228) 15.563 5.063 ( 0.000 0.519 78.900) 78.902 9.014 ( -0.000 -4.203 -47.680) 47.865 10.562 ( 0.000 -9.534 3.084) 10.021 11.327 ( -0.000 31.256 7.613) 32.170 11.484 ( -0.000 31.150 -17.444) 35.702 11.582 ( -0.000 12.416 -1.346) 12.489 20.747 ( 0.000 -29.087 -1.439) 29.123 22.405 ( 0.000 -12.009 10.560) 15.992 ======================= Grid point 2578 (707/781) ======================= q-point: ( 0.40 0.35 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 13.049 22.444 16.098) 30.548 2.381 ( 15.575 27.925 20.079) 37.756 3.322 ( -1.207 5.623 -15.254) 16.302 3.521 ( 14.236 17.563 -20.158) 30.289 5.306 ( 1.432 1.474 75.216) 75.244 8.798 ( -3.537 -5.263 -46.770) 47.198 10.644 ( 16.714 -9.904 1.864) 19.517 11.323 ( -15.165 14.368 -3.923) 21.256 11.659 ( 1.052 31.759 8.039) 32.778 12.364 ( 37.558 36.434 -20.825) 56.318 20.257 ( -18.403 -33.959 1.269) 38.646 22.262 ( -6.319 -11.081 12.894) 18.137 ======================= Grid point 2579 (708/781) ======================= q-point: ( 0.45 0.35 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 16.139 20.956 17.411) 31.666 2.729 ( 3.865 2.476 13.735) 14.481 3.341 ( 1.747 8.024 -16.207) 18.169 4.132 ( 30.351 32.149 -11.443) 45.669 5.599 ( 6.418 4.537 64.962) 65.436 8.532 ( -5.775 -5.489 -42.878) 43.612 10.812 ( 7.124 -2.010 -6.352) 9.753 11.335 ( 8.351 4.172 4.418) 10.328 12.038 ( 3.975 32.071 8.342) 33.375 13.265 ( 35.216 32.236 -22.240) 52.668 19.583 ( -23.215 -29.113 1.318) 37.259 22.072 ( -8.450 -9.790 12.664) 18.101 ======================= Grid point 2580 (709/781) ======================= q-point: ( 0.50 0.35 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -0.944 -3.028 7.240) 7.904 2.788 ( 9.792 12.034 17.207) 23.169 3.487 ( 9.267 15.906 -16.123) 24.471 4.873 ( 22.068 20.663 11.855) 32.473 6.028 ( 18.363 11.488 35.168) 41.304 8.275 ( -4.987 -3.243 -33.344) 33.870 10.811 ( -4.829 7.140 -11.544) 14.407 11.672 ( 26.272 -4.521 9.016) 28.141 12.458 ( 6.748 30.442 8.016) 32.194 14.013 ( 27.521 24.379 -18.191) 41.020 18.972 ( -19.395 -20.882 -1.662) 28.548 21.864 ( -9.390 -9.032 11.099) 17.116 ======================= Grid point 2581 (710/781) ======================= q-point: ( 0.55 0.35 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -2.759 -4.086 2.063) 5.344 2.996 ( 2.430 3.504 11.027) 11.822 3.872 ( 15.831 23.080 -8.130) 29.145 5.294 ( 5.914 5.851 33.438) 34.457 6.551 ( 20.617 10.197 -9.420) 24.855 8.198 ( 5.988 5.914 -11.348) 14.128 10.763 ( -5.850 9.712 -12.948) 17.211 12.118 ( 27.435 -3.957 9.330) 29.247 12.898 ( 10.152 25.794 7.703) 28.770 14.557 ( 18.704 17.071 -13.465) 28.680 18.534 ( -11.918 -12.487 -4.830) 17.925 21.647 ( -9.825 -8.524 9.413) 16.056 ======================= Grid point 2582 (711/781) ======================= q-point: ( 0.60 0.35 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -3.235 -3.637 -1.075) 4.985 3.060 ( 0.512 0.849 6.612) 6.686 4.352 ( 15.154 23.069 -2.660) 27.729 5.426 ( -3.462 -1.810 33.826) 34.050 6.737 ( 4.968 -0.220 -33.026) 33.399 8.590 ( 25.070 16.833 8.879) 31.475 10.731 ( -5.203 10.699 -13.801) 18.221 12.553 ( 23.223 -0.443 8.909) 24.877 13.341 ( 13.546 19.275 7.672) 24.777 14.903 ( 10.562 11.146 -10.180) 18.423 18.300 ( -3.843 -5.315 -6.549) 9.269 21.423 ( -10.076 -8.241 8.036) 15.298 ======================= Grid point 2583 (712/781) ======================= q-point: ( 0.65 0.35 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -3.090 -2.812 -3.413) 5.395 3.084 ( 0.127 -0.154 5.007) 5.011 4.790 ( 11.882 20.003 -0.175) 23.266 5.355 ( -9.666 -5.360 21.097) 23.817 6.651 ( -0.804 -2.003 -26.456) 26.544 9.273 ( 29.928 16.509 11.313) 36.002 10.713 ( -4.814 11.181 -14.353) 18.820 12.935 ( 17.557 2.843 8.250) 19.606 13.769 ( 15.707 12.971 8.010) 21.889 15.085 ( 4.340 6.839 -8.609) 11.821 18.247 ( 2.464 -0.258 -6.906) 7.337 21.195 ( -10.163 -8.092 7.160) 14.833 ======================= Grid point 2584 (713/781) ======================= q-point: ( 0.70 0.35 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -2.490 -1.814 -5.167) 6.016 3.095 ( 0.028 -0.721 4.422) 4.481 5.048 ( -2.786 -3.293 2.806) 5.146 5.229 ( -2.278 13.614 4.890) 14.644 6.559 ( -1.006 -0.936 -14.118) 14.185 9.919 ( 25.876 11.233 9.930) 29.906 10.698 ( -5.034 11.452 -14.442) 19.107 13.243 ( 12.068 4.287 7.509) 14.846 14.162 ( 15.710 8.099 8.584) 19.649 15.150 ( 0.608 4.081 -8.236) 9.212 18.314 ( 5.881 2.527 -6.934) 9.437 20.968 ( -9.845 -7.871 6.986) 14.411 ======================= Grid point 2598 (714/781) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 0.000 25.850 15.379) 30.078 2.587 ( 0.000 20.190 20.252) 28.597 3.354 ( -0.000 5.081 -16.560) 17.322 3.565 ( -0.000 34.999 -19.075) 39.860 5.524 ( 0.000 1.094 72.706) 72.714 8.635 ( -0.000 -5.596 -47.460) 47.789 10.424 ( 0.000 -7.116 5.126) 8.770 11.759 ( -0.000 21.625 0.757) 21.639 11.831 ( -0.000 14.336 -2.820) 14.611 12.391 ( -0.000 57.090 -18.264) 59.941 20.042 ( 0.000 -40.381 2.145) 40.438 22.232 ( 0.000 -12.581 12.018) 17.399 ======================= Grid point 2599 (715/781) ======================= q-point: ( 0.45 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 10.648 24.409 16.364) 31.256 2.751 ( 0.916 1.117 13.589) 13.666 3.362 ( 0.399 8.332 -17.635) 19.508 4.079 ( 15.755 46.462 -11.365) 50.359 5.755 ( 2.030 1.807 65.389) 65.446 8.424 ( -2.692 -4.803 -44.427) 44.767 10.510 ( 14.668 -6.230 4.808) 16.646 11.619 ( -19.349 18.822 -5.337) 27.516 12.235 ( 10.322 23.797 3.978) 26.242 13.078 ( 21.749 46.178 -18.459) 54.279 19.557 ( -11.446 -36.905 2.174) 38.700 22.107 ( -4.197 -12.107 11.115) 16.963 ======================= Grid point 2600 (716/781) ======================= q-point: ( 0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -0.425 -3.947 7.063) 8.102 2.816 ( 8.818 14.831 17.893) 24.857 3.477 ( 6.703 17.795 -17.886) 26.105 4.795 ( 19.524 35.999 1.593) 40.984 6.019 ( 7.037 4.041 45.879) 46.591 8.218 ( -3.095 -1.406 -35.682) 35.844 10.756 ( 15.799 -2.131 0.592) 15.953 11.538 ( -6.973 15.375 -2.070) 17.009 12.639 ( 7.837 25.211 4.960) 26.863 13.809 ( 23.177 34.148 -15.803) 44.193 19.016 ( -14.168 -28.101 0.131) 31.470 21.931 ( -6.546 -11.243 9.568) 16.150 ======================= Grid point 2601 (717/781) ======================= q-point: ( 0.55 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( -1.957 -5.263 3.426) 6.577 3.029 ( 1.884 4.017 9.843) 10.796 3.859 ( 14.122 28.575 -8.860) 33.083 5.344 ( 9.589 16.057 23.546) 30.070 6.326 ( 13.437 5.232 4.361) 15.064 8.147 ( 2.856 7.431 -17.092) 18.855 10.921 ( 0.554 8.937 -7.729) 11.828 11.722 ( 15.736 5.754 5.484) 17.630 13.018 ( 7.576 23.025 4.922) 24.734 14.406 ( 18.314 24.213 -11.526) 32.474 18.570 ( -11.059 -18.141 -2.605) 21.405 21.729 ( -7.811 -10.434 7.841) 15.211 ======================= Grid point 2602 (718/781) ======================= q-point: ( 0.60 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( -2.578 -4.752 0.440) 5.424 3.082 ( 0.038 0.894 5.045) 5.124 4.372 ( 13.518 29.762 -2.730) 32.802 5.568 ( -2.120 1.317 34.309) 34.400 6.516 ( 9.580 0.164 -29.209) 30.740 8.418 ( 16.924 17.539 3.006) 24.558 10.946 ( -7.137 15.571 -11.463) 20.611 12.143 ( 25.527 1.633 8.293) 26.890 13.371 ( 8.497 18.807 4.941) 21.221 14.826 ( 11.507 16.451 -7.872) 21.564 18.289 ( -5.123 -9.214 -4.516) 11.468 21.513 ( -8.526 -9.880 6.311) 14.496 ======================= Grid point 2603 (719/781) ======================= q-point: ( 0.65 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -2.758 -3.694 -1.989) 5.021 3.094 ( -0.137 -0.338 3.701) 3.719 4.840 ( 9.584 25.488 -0.153) 27.231 5.535 ( -9.057 -3.409 23.919) 25.802 6.528 ( 4.143 -1.115 -27.930) 28.258 8.991 ( 25.768 17.722 8.660) 32.451 10.939 ( -8.648 18.079 -12.411) 23.573 12.616 ( 24.631 2.226 8.101) 26.024 13.702 ( 10.376 13.606 5.481) 17.967 15.074 ( 4.917 10.728 -5.698) 13.105 18.186 ( 0.951 -2.522 -5.180) 5.839 21.288 ( -8.914 -9.594 5.189) 14.086 ======================= Grid point 2604 (720/781) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -2.542 -2.392 -3.903) 5.236 3.096 ( 0.014 -1.169 3.465) 3.657 5.082 ( -2.030 0.667 1.576) 2.655 5.470 ( -5.301 16.922 8.642) 19.727 6.505 ( 1.783 -0.139 -16.045) 16.144 9.610 ( 26.295 11.811 8.161) 29.959 10.935 ( -9.147 19.317 -12.361) 24.690 13.040 ( 19.178 3.744 6.739) 20.669 14.020 ( 12.695 8.293 6.670) 16.565 15.182 ( 0.062 6.865 -4.885) 8.425 18.223 ( 5.074 1.540 -5.200) 7.427 21.059 ( -8.879 -9.405 4.679) 13.755 ======================= Grid point 2620 (721/781) ======================= q-point: ( 0.45 0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 0.000 23.559 16.433) 28.724 2.771 ( 0.000 -3.374 10.296) 10.835 3.384 ( -0.000 9.484 -19.220) 21.432 4.420 ( -0.000 52.024 -6.326) 52.407 5.932 ( 0.000 0.287 59.208) 59.209 8.281 ( -0.000 -2.370 -41.931) 41.998 10.345 ( 0.000 -4.646 7.140) 8.518 12.104 ( -0.000 15.683 -4.081) 16.206 12.215 ( -0.000 25.980 -4.655) 26.394 13.337 ( -0.000 48.121 -12.435) 49.702 19.292 ( 0.000 -36.641 2.506) 36.726 22.049 ( 0.000 -12.841 9.607) 16.037 ======================= Grid point 2621 (722/781) ======================= q-point: ( 0.50 0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( -0.811 -5.204 7.018) 8.774 2.880 ( 6.026 14.419 16.450) 22.689 3.488 ( 5.660 17.931 -19.072) 26.782 4.963 ( 7.745 43.674 1.047) 44.367 6.097 ( 1.900 -1.023 43.309) 43.363 8.157 ( -1.152 3.106 -33.331) 33.495 10.450 ( 13.816 -3.604 7.307) 16.039 11.976 ( -19.756 21.090 -6.732) 29.671 12.679 ( 14.645 22.022 -1.724) 26.504 13.838 ( 11.158 38.958 -10.653) 41.902 18.907 ( -6.568 -29.930 1.569) 30.683 21.922 ( -3.179 -12.525 7.930) 15.162 ======================= Grid point 2622 (723/781) ======================= q-point: ( 0.55 0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -1.500 -5.902 4.384) 7.503 3.063 ( 1.606 3.629 7.958) 8.893 3.862 ( 15.306 28.249 -9.544) 33.516 5.464 ( 6.619 26.066 16.037) 31.312 6.217 ( 4.652 -2.413 10.943) 12.133 8.152 ( 1.730 12.632 -17.509) 21.659 10.739 ( 19.432 -1.303 5.310) 20.186 11.879 ( -13.076 21.393 -5.766) 25.727 13.089 ( 10.110 20.134 0.167) 22.531 14.358 ( 13.969 28.311 -8.379) 32.663 18.536 ( -7.797 -20.429 -0.203) 21.867 21.752 ( -5.289 -11.822 6.166) 14.344 ======================= Grid point 2623 (724/781) ======================= q-point: ( 0.60 0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -2.008 -5.412 1.991) 6.106 3.103 ( -0.231 0.759 2.954) 3.059 4.409 ( 16.417 29.714 -3.004) 34.081 5.736 ( -2.185 5.636 33.961) 34.495 6.278 ( 7.995 -1.023 -25.085) 26.348 8.384 ( 9.511 21.093 -2.200) 23.243 11.043 ( 11.134 5.980 -0.655) 12.655 11.959 ( 2.815 16.502 -0.510) 16.748 13.420 ( 7.780 17.000 1.131) 18.729 14.787 ( 11.475 19.339 -5.508) 23.152 18.268 ( -5.169 -11.055 -1.818) 12.338 21.554 ( -6.638 -11.197 4.521) 13.779 ======================= Grid point 2624 (725/781) ======================= q-point: ( 0.65 0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -2.272 -4.307 -0.214) 4.875 3.104 ( -0.492 -0.422 1.812) 1.924 4.917 ( 11.081 24.257 -0.063) 26.668 5.729 ( -7.759 -1.620 24.171) 25.438 6.340 ( 7.789 0.980 -25.075) 26.275 8.830 ( 17.207 21.044 4.037) 27.481 11.204 ( -2.389 15.809 -6.826) 17.384 12.287 ( 18.882 9.229 4.895) 21.579 13.696 ( 7.353 12.972 2.039) 15.050 15.081 ( 6.485 12.582 -3.215) 14.516 18.141 ( -0.677 -3.550 -2.674) 4.496 21.339 ( -7.485 -10.835 3.178) 13.547 ======================= Grid point 2625 (726/781) ======================= q-point: ( 0.70 0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -2.280 -2.835 -2.117) 4.209 3.093 ( -0.304 -1.389 1.918) 2.388 5.125 ( -2.543 -1.183 0.891) 2.942 5.757 ( -2.389 20.857 10.211) 23.345 6.401 ( 5.296 0.669 -14.862) 15.792 9.348 ( 21.033 14.407 4.920) 25.964 11.266 ( -8.265 21.267 -8.764) 24.442 12.739 ( 22.502 6.249 5.702) 24.039 13.940 ( 8.428 8.456 3.441) 12.425 15.237 ( 1.318 7.936 -1.996) 8.289 18.150 ( 3.507 1.358 -2.877) 4.735 21.112 ( -7.844 -10.666 2.338) 13.445 ======================= Grid point 2642 (727/781) ======================= q-point: ( 0.50 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 0.000 -6.295 6.096) 8.763 2.995 ( 0.000 9.389 13.070) 16.093 3.569 ( -0.000 22.447 -16.916) 28.107 5.328 ( -0.000 39.599 4.945) 39.907 6.162 ( 0.000 -5.514 30.439) 30.935 8.143 ( -0.000 11.012 -25.519) 27.794 10.325 ( 0.000 -2.352 9.167) 9.464 12.390 ( -0.000 16.349 -5.173) 17.148 12.699 ( -0.000 27.117 -7.391) 28.106 14.088 ( -0.000 34.577 -6.924) 35.264 18.689 ( 0.000 -25.988 2.117) 26.074 21.845 ( 0.000 -12.819 6.194) 14.237 ======================= Grid point 2643 (728/781) ======================= q-point: ( 0.55 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( -0.931 -6.343 4.780) 7.997 3.093 ( 0.820 2.829 5.492) 6.232 3.869 ( 11.156 27.383 -9.201) 30.967 5.707 ( 1.751 27.120 14.602) 30.851 6.152 ( 0.524 -9.049 7.606) 11.833 8.244 ( 0.911 20.810 -14.214) 25.218 10.452 ( 13.270 -1.401 9.525) 16.394 12.347 ( -16.549 20.982 -7.210) 27.678 13.086 ( 12.209 22.010 -5.190) 25.699 14.433 ( 6.866 26.548 -4.998) 27.873 18.442 ( -3.588 -18.433 1.737) 18.859 21.714 ( -2.569 -12.501 4.404) 13.501 ======================= Grid point 2644 (729/781) ======================= q-point: ( 0.60 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -1.484 -5.792 3.240) 6.801 3.120 ( -0.268 0.660 0.927) 1.169 4.378 ( 18.117 27.273 -3.519) 32.931 5.931 ( -3.885 -1.784 37.124) 37.369 6.100 ( 4.627 4.767 -26.387) 27.210 8.495 ( 4.074 27.195 -5.361) 28.016 10.768 ( 20.691 0.094 8.413) 22.336 12.281 ( -13.525 23.252 -7.127) 27.828 13.444 ( 8.737 17.627 -3.098) 19.916 14.783 ( 9.393 18.492 -3.127) 20.975 18.240 ( -3.982 -10.038 0.936) 10.840 21.545 ( -4.482 -12.034 2.672) 13.116 ======================= Grid point 2645 (730/781) ======================= q-point: ( 0.65 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -1.760 -4.703 1.592) 5.267 3.113 ( -0.725 -0.337 -0.220) 0.829 4.918 ( 15.284 21.757 -0.308) 26.591 5.829 ( -1.877 -9.694 8.091) 12.765 6.222 ( 3.116 8.304 -4.929) 10.147 8.854 ( 7.952 26.417 -1.322) 27.620 11.152 ( 18.596 4.108 5.086) 19.712 12.328 ( -4.345 22.113 -4.412) 22.964 13.712 ( 6.165 13.521 -1.524) 14.938 15.073 ( 7.899 11.844 -1.277) 14.293 18.128 ( -1.913 -2.828 0.280) 3.426 21.348 ( -5.844 -11.709 1.142) 13.136 ======================= Grid point 2646 (731/781) ======================= q-point: ( 0.70 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -1.832 -3.173 -0.000) 3.663 3.092 ( -0.748 -1.295 -0.000) 1.495 5.143 ( -1.636 -2.834 -0.000) 3.272 5.929 ( 10.020 17.355 -0.000) 20.040 6.307 ( 1.590 2.755 0.000) 3.181 9.243 ( 11.280 19.537 -0.000) 22.559 11.461 ( 7.124 12.339 -0.000) 14.247 12.554 ( 9.428 16.330 -0.000) 18.856 13.916 ( 5.358 9.280 -0.000) 10.716 15.264 ( 4.049 7.014 -0.000) 8.099 18.122 ( 1.287 2.229 -0.000) 2.574 21.130 ( -6.682 -11.573 -0.000) 13.364 ======================= Grid point 2664 (732/781) ======================= q-point: ( 0.55 0.55 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 0.000 -6.405 4.621) 7.898 3.120 ( 0.000 1.534 1.985) 2.509 4.010 ( -0.000 27.076 -6.638) 27.877 5.977 ( 0.000 18.687 21.726) 28.657 6.049 ( -0.000 -11.758 -5.680) 13.058 8.445 ( -0.000 29.013 -10.046) 30.703 10.358 ( 0.000 -0.471 11.163) 11.173 12.674 ( -0.000 16.176 -6.124) 17.296 13.174 ( -0.000 26.262 -8.557) 27.621 14.599 ( -0.000 20.985 -2.466) 21.129 18.322 ( 0.000 -13.176 2.781) 13.466 21.623 ( 0.000 -12.594 2.583) 12.856 ======================= Grid point 2665 (733/781) ======================= q-point: ( 0.60 0.55 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -0.803 -5.904 4.027) 7.192 3.130 ( -0.208 0.557 -0.915) 1.091 4.358 ( 12.028 25.552 -3.553) 28.464 5.880 ( -0.919 -17.463 -2.844) 17.717 6.192 ( -0.187 14.059 13.693) 19.626 8.734 ( 0.767 33.178 -7.132) 33.945 10.503 ( 12.889 0.262 11.513) 17.284 12.698 ( -11.480 19.254 -7.289) 23.572 13.475 ( 7.275 21.573 -7.048) 23.833 14.815 ( 5.190 14.851 -0.542) 15.741 18.214 ( -2.000 -6.703 3.024) 7.620 21.487 ( -2.212 -12.405 0.769) 12.624 ======================= Grid point 2666 (734/781) ======================= q-point: ( 0.65 0.55 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -1.215 -4.880 3.136) 5.926 3.120 ( -0.713 -0.151 -2.023) 2.151 4.844 ( 16.946 21.128 -1.048) 27.105 5.689 ( 0.993 -15.171 -8.116) 17.234 6.327 ( -1.203 7.869 14.678) 16.698 9.054 ( 1.401 31.694 -5.636) 32.222 10.838 ( 21.133 1.243 10.667) 23.704 12.684 ( -10.785 22.065 -7.223) 25.600 13.749 ( 5.195 16.271 -5.079) 17.820 15.044 ( 7.358 9.437 0.987) 12.007 18.150 ( -2.095 -0.766 2.921) 3.676 21.315 ( -4.000 -12.211 -0.928) 12.883 ======================= Grid point 2686 (735/781) ======================= q-point: ( 0.60 0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 0.000 -5.583 4.334) 7.068 3.132 ( -0.000 0.343 -2.480) 2.503 4.483 ( -0.000 23.733 -2.773) 23.895 5.697 ( -0.000 -17.791 -8.586) 19.754 6.350 ( 0.000 7.784 18.405) 19.984 9.048 ( -0.000 35.910 -8.125) 36.818 10.433 ( 0.000 0.782 13.010) 13.033 12.941 ( -0.000 14.999 -6.954) 16.533 13.614 ( -0.000 24.069 -8.876) 25.654 14.897 ( -0.000 10.584 2.030) 10.777 18.197 ( 0.000 -2.383 4.202) 4.831 21.384 ( 0.000 -12.471 -1.156) 12.525 ======================= Grid point 2688 (736/781) ======================= q-point: (-0.35 -0.40 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -0.593 -4.734 4.247) 6.387 3.121 ( -0.459 -0.016 -3.374) 3.405 4.796 ( 11.174 20.528 -1.537) 23.423 5.496 ( 0.156 -16.801 -9.562) 19.332 6.450 ( -0.790 3.562 17.672) 18.045 9.360 ( -1.160 34.157 -8.384) 35.190 10.591 ( 12.624 1.212 13.193) 18.300 13.004 ( -6.372 16.359 -7.340) 19.029 13.839 ( 2.524 20.242 -7.965) 21.898 15.029 ( 4.265 6.788 3.955) 8.939 18.196 ( -1.219 1.771 4.778) 5.239 21.240 ( -2.015 -12.426 -3.021) 12.946 ======================= Grid point 2709 (737/781) ======================= q-point: (-0.35 -0.35 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 0.000 -4.138 4.896) 6.410 3.114 ( -0.000 -0.062 -4.175) 4.175 4.887 ( -0.000 18.810 -1.443) 18.865 5.304 ( -0.000 -16.782 -8.338) 18.739 6.525 ( 0.000 0.323 16.456) 16.459 9.676 ( -0.000 32.814 -9.839) 34.258 10.535 ( 0.000 1.269 14.552) 14.607 13.170 ( -0.000 12.723 -7.670) 14.856 14.001 ( -0.000 20.914 -8.879) 22.720 15.064 ( 0.000 4.560 6.732) 8.131 18.251 ( 0.000 4.211 5.981) 7.314 21.124 ( -0.000 -12.478 -5.080) 13.473 ======================= Grid point 2987 (738/781) ======================= q-point: ( 0.35 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 770 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 0.000 -0.000 17.136) 17.136 1.279 ( 0.000 -0.000 17.136) 17.136 3.281 ( -0.000 0.000 -13.974) 13.974 3.281 ( -0.000 0.000 -13.974) 13.974 5.291 ( 0.000 -0.000 78.785) 78.785 8.909 ( -0.000 0.000 -51.569) 51.569 10.764 ( 0.000 0.000 0.659) 0.659 10.764 ( -0.000 -0.000 0.659) 0.659 11.371 ( 0.000 -0.000 0.462) 0.462 11.371 ( -0.000 0.000 0.462) 0.462 21.033 ( -0.000 0.000 -3.233) 3.233 22.558 ( 0.000 -0.000 4.545) 4.545 ======================= Grid point 2988 (739/781) ======================= q-point: ( 0.40 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 16.320 9.422 15.681) 24.515 1.857 ( 37.497 21.649 16.634) 46.383 3.229 ( 0.169 0.098 -13.119) 13.120 3.304 ( 5.684 3.282 -16.823) 18.058 5.518 ( 0.077 0.044 76.498) 76.498 8.722 ( -3.046 -1.758 -51.731) 51.851 10.886 ( 1.553 0.897 -7.775) 7.980 10.895 ( 14.823 8.558 4.655) 17.738 11.319 ( 3.316 1.914 7.857) 8.740 11.807 ( 32.347 18.676 -9.760) 38.605 20.743 ( -23.628 -13.642 -1.525) 27.326 22.460 ( -8.637 -4.987 8.028) 12.803 ======================= Grid point 2989 (740/781) ======================= q-point: ( 0.45 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 22.885 13.213 15.464) 30.618 2.639 ( 18.859 10.888 19.292) 29.093 3.213 ( 1.958 1.131 -13.330) 13.520 3.585 ( 29.722 17.160 -20.618) 40.037 5.752 ( 1.896 1.094 70.782) 70.816 8.480 ( -5.093 -2.941 -49.053) 49.405 10.818 ( -3.306 -1.908 -11.354) 11.979 11.328 ( 20.984 12.115 8.485) 25.672 11.533 ( 11.515 6.648 10.121) 16.710 12.647 ( 42.652 24.625 -18.487) 52.606 20.075 ( -33.090 -19.104 0.533) 38.213 22.266 ( -10.658 -6.153 10.371) 16.093 ======================= Grid point 2990 (741/781) ======================= q-point: ( 0.50 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 20.745 11.977 18.480) 30.254 2.819 ( -0.895 -0.517 8.063) 8.129 3.256 ( 6.554 3.784 -15.873) 17.585 4.422 ( 40.853 23.587 -5.254) 47.465 6.029 ( 6.634 3.830 55.469) 55.995 8.227 ( -4.887 -2.822 -41.623) 42.004 10.713 ( -2.682 -1.549 -12.224) 12.610 11.851 ( 13.757 7.943 9.576) 18.549 11.864 ( 23.923 13.812 9.926) 29.353 13.507 ( 37.359 21.570 -17.803) 46.668 19.352 ( -29.881 -17.252 -0.689) 34.510 22.048 ( -11.240 -6.490 9.624) 16.158 ======================= Grid point 2991 (742/781) ======================= q-point: ( 0.55 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( -4.092 -2.362 2.251) 5.234 2.962 ( 6.822 3.939 16.036) 17.866 3.500 ( 19.899 11.489 -12.563) 26.187 5.183 ( 22.927 13.237 16.951) 31.435 6.373 ( 13.487 7.787 15.897) 22.254 8.080 ( 2.587 1.493 -22.965) 23.159 10.632 ( -1.207 -0.697 -13.008) 13.082 12.196 ( 14.408 8.318 8.995) 18.913 12.441 ( 24.490 14.139 9.941) 29.975 14.193 ( 27.530 15.895 -13.441) 34.514 18.768 ( -21.043 -12.149 -3.555) 24.557 21.820 ( -11.311 -6.530 8.026) 15.330 ======================= Grid point 2992 (743/781) ======================= q-point: ( 0.60 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -4.659 -2.690 -0.988) 5.469 3.065 ( 1.229 0.710 7.790) 7.919 3.983 ( 23.076 13.323 -3.425) 26.865 5.532 ( 2.628 1.518 33.136) 33.275 6.604 ( 7.075 4.085 -28.720) 29.859 8.319 ( 21.679 12.516 3.443) 25.268 10.582 ( 0.108 0.063 -13.725) 13.726 12.544 ( 14.151 8.170 8.507) 18.422 13.008 ( 23.283 13.443 9.514) 28.519 14.664 ( 17.597 10.159 -9.536) 22.445 18.398 ( -10.764 -6.215 -5.626) 13.643 21.588 ( -11.217 -6.476 6.541) 14.511 ======================= Grid point 2993 (744/781) ======================= q-point: ( 0.65 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -4.368 -2.522 -3.240) 5.995 3.098 ( 0.304 0.175 5.083) 5.095 4.471 ( 20.364 11.757 0.028) 23.515 5.535 ( -9.284 -5.360 25.272) 27.451 6.582 ( 1.058 0.611 -31.161) 31.185 8.965 ( 30.919 17.851 10.622) 37.248 10.553 ( 0.915 0.529 -14.278) 14.317 12.875 ( 13.036 7.527 8.085) 17.087 13.534 ( 21.019 12.135 9.134) 25.933 14.939 ( 9.425 5.442 -7.390) 13.155 18.243 ( -1.924 -1.111 -6.189) 6.576 21.355 ( -11.107 -6.412 5.492) 13.951 ======================= Grid point 3009 (745/781) ======================= q-point: ( 0.40 0.40 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 0.000 18.650 14.344) 23.528 1.911 ( 0.000 44.795 16.125) 47.609 3.206 ( -0.000 2.835 -14.803) 15.072 3.239 ( -0.000 2.541 -13.822) 14.054 5.738 ( 0.000 -0.443 75.055) 75.056 8.570 ( -0.000 -2.816 -53.522) 53.596 10.595 ( 0.000 -8.785 4.418) 9.833 11.302 ( -0.000 42.579 -12.938) 44.501 11.440 ( 0.000 13.827 6.851) 15.431 11.565 ( -0.000 11.928 -2.654) 12.220 20.735 ( 0.000 -27.505 -1.239) 27.533 22.481 ( 0.000 -9.252 6.940) 11.566 ======================= Grid point 3010 (746/781) ======================= q-point: ( 0.45 0.40 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 13.469 22.725 13.713) 29.764 2.561 ( 15.638 28.908 20.929) 38.964 3.195 ( -0.679 4.554 -13.267) 14.043 3.340 ( 13.236 16.879 -21.107) 30.093 5.948 ( 0.226 -0.427 70.763) 70.764 8.363 ( -2.343 -3.304 -52.011) 52.168 10.662 ( 12.957 -8.242 2.284) 15.525 11.280 ( -11.364 14.762 -5.189) 19.338 11.737 ( 1.909 30.008 9.217) 31.450 12.209 ( 35.434 33.004 -14.950) 50.678 20.264 ( -18.108 -32.782 0.407) 37.453 22.355 ( -5.701 -9.950 8.303) 14.157 ======================= Grid point 3011 (747/781) ======================= q-point: ( 0.50 0.40 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 17.430 22.165 15.792) 32.318 2.837 ( 0.663 -0.508 10.468) 10.502 3.205 ( 1.192 6.072 -14.532) 15.794 4.033 ( 34.973 37.370 -10.390) 52.227 6.153 ( 1.688 -0.143 60.181) 60.205 8.140 ( -3.080 -2.403 -45.625) 45.792 10.753 ( 0.626 1.463 -7.239) 7.412 11.378 ( 14.658 0.917 5.557) 15.703 12.113 ( 4.403 30.877 8.601) 32.353 13.098 ( 35.151 32.420 -15.945) 50.407 19.589 ( -23.895 -29.106 0.226) 37.659 22.162 ( -8.318 -9.628 7.935) 14.995 ======================= Grid point 3012 (748/781) ======================= q-point: ( 0.55 0.40 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( -2.685 -4.080 3.008) 5.736 2.949 ( 8.325 9.753 18.614) 22.603 3.345 ( 11.575 18.024 -16.050) 26.767 4.932 ( 31.185 27.888 3.191) 41.958 6.342 ( 4.051 -0.105 33.163) 33.409 7.993 ( 0.943 2.113 -29.160) 29.251 10.709 ( -6.375 7.933 -11.476) 15.338 11.752 ( 27.272 -5.294 9.240) 29.277 12.529 ( 7.214 29.234 8.101) 31.182 13.880 ( 28.301 25.449 -12.229) 39.977 18.956 ( -20.642 -21.317 -1.948) 29.737 21.942 ( -9.424 -9.092 6.472) 14.607 ======================= Grid point 3013 (749/781) ======================= q-point: ( 0.60 0.40 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( -3.891 -4.268 -0.312) 5.784 3.079 ( 0.913 1.172 7.279) 7.429 3.818 ( 18.008 25.032 -3.750) 31.064 5.546 ( 12.787 10.991 23.887) 29.239 6.446 ( 4.937 -0.774 -14.999) 15.809 8.131 ( 14.727 11.868 -3.111) 19.168 10.650 ( -6.506 9.963 -12.660) 17.374 12.200 ( 27.303 -4.050 9.220) 29.101 12.967 ( 10.741 24.576 7.803) 27.932 14.463 ( 19.275 17.974 -7.970) 27.534 18.495 ( -12.969 -12.757 -4.076) 18.642 21.710 ( -9.802 -8.570 4.917) 13.918 ======================= Grid point 3014 (750/781) ======================= q-point: ( 0.65 0.40 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -4.130 -3.720 -2.593) 6.133 3.108 ( 0.302 0.106 4.133) 4.145 4.341 ( 15.905 23.518 0.291) 28.393 5.702 ( -6.537 -3.822 28.582) 29.568 6.441 ( 5.033 0.662 -33.851) 34.230 8.666 ( 27.666 17.758 8.280) 33.901 10.612 ( -5.703 10.922 -13.149) 18.020 12.629 ( 22.892 -0.422 8.379) 24.381 13.409 ( 14.205 18.229 7.802) 24.391 14.836 ( 10.508 11.663 -5.123) 16.514 18.249 ( -4.417 -5.309 -4.952) 8.498 21.475 ( -9.897 -8.214 3.693) 13.381 ======================= Grid point 3031 (751/781) ======================= q-point: ( 0.45 0.45 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 0.000 26.585 12.740) 29.480 2.765 ( 0.000 15.724 20.295) 25.673 3.216 ( -0.000 3.658 -14.524) 14.977 3.398 ( -0.000 39.891 -18.862) 44.125 6.139 ( 0.000 -1.653 66.981) 67.002 8.199 ( -0.000 -2.818 -51.299) 51.376 10.477 ( 0.000 -6.703 7.054) 9.731 11.725 ( -0.000 22.464 -8.407) 23.986 11.799 ( -0.000 14.194 -4.523) 14.897 12.299 ( -0.000 53.397 -3.163) 53.491 20.057 ( 0.000 -39.335 1.280) 39.356 22.317 ( 0.000 -11.778 7.368) 13.892 ======================= Grid point 3032 (752/781) ======================= q-point: ( 0.50 0.45 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 11.544 25.937 14.105) 31.701 2.855 ( -0.426 -2.435 9.820) 10.127 3.213 ( 0.254 5.930 -15.880) 16.953 3.991 ( 17.093 51.672 -8.116) 55.027 6.299 ( -0.055 -3.157 57.301) 57.388 8.026 ( -1.165 -0.650 -44.957) 44.977 10.559 ( 12.754 -5.343 6.409) 15.241 11.563 ( -18.133 18.592 -7.190) 26.948 12.256 ( 14.084 21.483 0.291) 25.690 12.962 ( 18.980 46.791 -8.132) 51.145 19.573 ( -11.924 -36.635 1.380) 38.551 22.183 ( -4.140 -11.927 6.357) 14.135 ======================= Grid point 3033 (753/781) ======================= q-point: ( 0.55 0.45 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( -1.672 -4.607 3.731) 6.160 2.975 ( 7.749 11.774 18.046) 22.898 3.319 ( 8.873 20.031 -18.044) 28.383 4.793 ( 23.290 41.143 -0.941) 47.287 6.392 ( -0.566 -5.928 35.711) 36.205 7.923 ( 0.970 4.796 -29.067) 29.476 10.762 ( 9.748 0.921 0.580) 9.809 11.522 ( -1.416 12.544 -1.496) 12.712 12.675 ( 9.663 23.265 2.954) 25.364 13.704 ( 22.645 35.526 -8.155) 42.912 19.017 ( -15.238 -28.235 -0.002) 32.084 21.994 ( -6.559 -11.311 4.837) 13.941 ======================= Grid point 3034 (754/781) ======================= q-point: ( 0.60 0.45 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -3.027 -5.241 0.779) 6.102 3.097 ( 0.523 1.093 5.022) 5.166 3.801 ( 16.503 30.835 -3.680) 35.166 5.492 ( 18.038 24.457 10.564) 32.173 6.353 ( -1.677 -8.677 0.413) 8.847 8.036 ( 9.342 13.309 -6.929) 17.675 10.854 ( -4.123 11.633 -7.446) 14.414 11.773 ( 19.777 3.230 5.987) 20.914 13.057 ( 8.784 21.444 3.727) 23.471 14.332 ( 18.492 25.340 -5.270) 31.809 18.550 ( -12.235 -18.170 -1.782) 21.978 21.778 ( -7.793 -10.525 3.224) 13.487 ======================= Grid point 3035 (755/781) ======================= q-point: ( 0.65 0.45 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -3.570 -4.570 -1.450) 5.977 3.114 ( 0.132 0.003 2.286) 2.290 4.361 ( 14.311 30.102 0.317) 33.332 5.851 ( -2.052 2.171 30.267) 30.414 6.242 ( 5.516 -1.836 -33.349) 33.852 8.451 ( 20.534 18.676 4.447) 28.110 10.850 ( -8.794 16.726 -10.245) 21.496 12.215 ( 26.361 0.736 7.914) 27.533 13.412 ( 9.581 17.516 4.262) 20.415 14.780 ( 11.529 17.142 -2.517) 20.811 18.257 ( -6.008 -8.995 -2.836) 11.182 21.549 ( -8.386 -9.928 1.850) 13.127 ======================= Grid point 3053 (756/781) ======================= q-point: ( 0.50 0.50 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 0.000 25.553 14.765) 29.512 2.845 ( 0.000 -5.178 6.457) 8.277 3.219 ( -0.000 7.075 -17.936) 19.281 4.374 ( -0.000 55.404 -3.807) 55.535 6.410 ( 0.000 -6.490 47.241) 47.685 7.922 ( -0.000 3.284 -37.776) 37.918 10.417 ( 0.000 -4.355 9.257) 10.230 12.060 ( -0.000 15.690 -5.833) 16.739 12.152 ( -0.000 26.331 -9.370) 27.948 13.275 ( -0.000 46.906 -1.980) 46.948 19.312 ( 0.000 -36.521 2.099) 36.581 22.112 ( 0.000 -12.830 4.820) 13.706 ======================= Grid point 3054 (757/781) ======================= q-point: ( 0.55 0.50 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -1.413 -5.675 3.978) 7.073 3.022 ( 4.841 10.256 15.542) 19.240 3.322 ( 7.633 21.648 -18.419) 29.430 4.959 ( 9.001 47.330 -1.157) 48.192 6.429 ( -1.580 -10.538 28.951) 30.850 7.898 ( 1.009 9.872 -22.881) 24.941 10.523 ( 12.751 -3.116 9.296) 16.085 11.910 ( -19.712 21.260 -8.321) 30.163 12.650 ( 17.333 21.198 -4.867) 27.811 13.784 ( 10.001 38.914 -1.982) 40.227 18.922 ( -7.196 -29.922 1.792) 30.828 21.971 ( -3.186 -12.634 3.161) 13.408 ======================= Grid point 3055 (758/781) ======================= q-point: ( 0.60 0.50 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -2.303 -5.780 1.895) 6.504 3.110 ( 0.323 0.866 2.160) 2.350 3.801 ( 17.667 30.440 -3.725) 35.392 5.534 ( 11.630 32.937 0.949) 34.943 6.315 ( -4.438 -13.646 9.166) 17.027 8.038 ( 5.518 17.349 -7.362) 19.638 10.792 ( 16.162 0.161 6.677) 17.488 11.826 ( -10.524 20.362 -6.213) 23.748 13.082 ( 12.053 19.023 -1.898) 22.599 14.315 ( 13.504 28.810 -1.481) 31.852 18.539 ( -8.799 -20.292 0.836) 22.133 21.785 ( -5.272 -11.957 1.492) 13.153 ======================= Grid point 3056 (759/781) ======================= q-point: ( 0.65 0.50 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( -2.929 -5.073 -0.000) 5.858 3.117 ( -0.011 -0.019 -0.000) 0.022 4.396 ( 17.305 29.973 -0.000) 34.610 5.967 ( 10.080 17.459 -0.000) 20.160 6.086 ( -7.755 -13.432 0.000) 15.510 8.374 ( 12.557 21.750 -0.000) 25.114 11.040 ( 5.277 9.140 -0.000) 10.554 11.956 ( 7.928 13.731 -0.000) 15.855 13.425 ( 9.211 15.954 -0.000) 18.422 14.763 ( 11.401 19.747 -0.000) 22.802 18.260 ( -6.177 -10.700 -0.000) 12.355 21.574 ( -6.533 -11.316 -0.000) 13.067 ======================= Grid point 3075 (760/781) ======================= q-point: ( 0.55 0.55 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 0.000 -6.368 3.536) 7.284 3.090 ( 0.000 3.279 6.971) 7.704 3.439 ( -0.000 28.249 -11.054) 30.334 5.333 ( -0.000 42.566 -2.686) 42.651 6.396 ( 0.000 -13.775 19.691) 24.031 7.962 ( -0.000 16.708 -13.623) 21.558 10.415 ( 0.000 -2.087 11.209) 11.401 12.337 ( -0.000 16.416 -6.801) 17.769 12.623 ( -0.000 27.449 -9.878) 29.173 14.063 ( -0.000 33.946 0.856) 33.957 18.711 ( 0.000 -25.912 2.838) 26.067 21.878 ( 0.000 -12.974 1.443) 13.054 ======================= Grid point 3076 (761/781) ======================= q-point: ( 0.60 0.55 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -1.338 -6.140 2.656) 6.822 3.116 ( 0.119 0.707 -0.790) 1.067 3.814 ( 12.464 29.159 -3.022) 31.855 5.706 ( 3.841 28.184 -11.601) 30.719 6.289 ( -3.211 -12.527 19.659) 23.531 8.148 ( 2.423 23.412 -6.889) 24.524 10.544 ( 12.558 -1.073 11.469) 17.041 12.278 ( -16.981 21.349 -8.518) 28.578 13.032 ( 14.163 21.676 -6.982) 26.818 14.419 ( 6.441 26.319 1.779) 27.154 18.463 ( -4.127 -18.247 3.050) 18.954 21.733 ( -2.555 -12.682 -0.264) 12.939 ======================= Grid point 3098 (762/781) ======================= q-point: (-0.40 -0.40 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 0.000 -6.087 2.882) 6.735 3.115 ( -0.000 0.582 -3.247) 3.299 3.974 ( -0.000 27.771 -1.476) 27.810 5.800 ( -0.000 7.161 -27.931) 28.834 6.327 ( 0.000 -0.718 34.423) 34.430 8.367 ( -0.000 29.612 -7.382) 30.519 10.464 ( 0.000 -0.200 12.912) 12.914 12.614 ( -0.000 16.251 -7.533) 17.912 13.093 ( -0.000 26.563 -9.679) 28.271 14.605 ( -0.000 20.785 3.853) 21.139 18.354 ( 0.000 -12.990 4.391) 13.712 21.626 ( 0.000 -12.822 -2.014) 12.979 ======================= Grid point 3422 (763/781) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 781 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 0.000 -0.000 13.336) 13.336 1.414 ( 0.000 -0.000 13.336) 13.336 3.168 ( -0.000 0.000 -11.418) 11.418 3.168 ( -0.000 0.000 -11.418) 11.418 5.963 ( 0.000 -0.000 74.334) 74.334 8.435 ( -0.000 0.000 -56.223) 56.223 10.768 ( 0.000 0.000 0.456) 0.456 10.768 ( -0.000 -0.000 0.456) 0.456 11.375 ( 0.000 0.000 0.351) 0.351 11.375 ( -0.000 -0.000 0.351) 0.351 21.010 ( -0.000 0.000 -2.197) 2.197 22.591 ( 0.000 -0.000 3.157) 3.157 ======================= Grid point 3423 (764/781) ======================= q-point: ( 0.45 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 16.314 9.419 11.616) 22.131 1.991 ( 39.502 22.806 13.570) 47.588 3.128 ( 0.069 0.040 -9.580) 9.580 3.165 ( 2.741 1.583 -14.250) 14.598 6.167 ( -0.794 -0.459 71.138) 71.143 8.248 ( -1.927 -1.113 -55.828) 55.873 10.818 ( -1.205 -0.695 -7.709) 7.834 10.944 ( 16.625 9.599 6.443) 20.250 11.386 ( 5.640 3.256 7.261) 9.754 11.729 ( 27.758 16.026 -8.376) 33.129 20.732 ( -22.862 -13.199 -1.116) 26.422 22.516 ( -6.937 -4.005 4.802) 9.339 ======================= Grid point 3424 (765/781) ======================= q-point: ( 0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 23.917 13.808 11.055) 29.747 2.806 ( 14.370 8.297 18.715) 25.012 3.114 ( 1.038 0.600 -8.767) 8.848 3.403 ( 34.369 19.843 -20.548) 44.689 6.344 ( -0.991 -0.572 63.102) 63.113 8.037 ( -2.494 -1.440 -50.762) 50.843 10.720 ( -3.899 -2.251 -10.913) 11.805 11.412 ( 21.630 12.488 10.707) 27.175 11.618 ( 11.637 6.719 9.073) 16.214 12.504 ( 41.184 23.778 -14.301) 49.660 20.076 ( -32.914 -19.003 -0.213) 38.006 22.337 ( -10.027 -5.789 5.814) 12.956 ======================= Grid point 3425 (766/781) ======================= q-point: ( 0.55 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 23.965 13.836 14.909) 31.433 2.871 ( -3.427 -1.978 3.660) 5.390 3.129 ( 3.599 2.078 -11.857) 12.565 4.378 ( 46.120 26.628 -4.115) 53.414 6.473 ( -1.943 -1.122 42.660) 42.719 7.876 ( 0.684 0.395 -35.447) 35.455 10.607 ( -3.024 -1.746 -11.940) 12.441 11.931 ( 13.638 7.874 8.737) 18.009 11.958 ( 23.790 13.735 11.342) 29.719 13.376 ( 38.104 22.000 -12.204) 45.660 19.343 ( -30.657 -17.700 -1.383) 35.427 22.112 ( -11.171 -6.450 4.851) 13.782 ======================= Grid point 3426 (767/781) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( -5.060 -2.921 -0.673) 5.881 3.081 ( 1.840 1.062 9.366) 9.604 3.413 ( 25.170 14.532 -5.418) 29.564 5.288 ( 32.406 18.710 7.959) 38.256 6.470 ( -4.742 -2.738 3.179) 6.331 7.935 ( 11.721 6.767 -7.957) 15.700 10.520 ( -1.513 -0.873 -12.546) 12.667 12.271 ( 14.294 8.253 8.135) 18.401 12.532 ( 24.160 13.949 10.610) 29.847 14.100 ( 28.522 16.467 -7.567) 33.793 18.738 ( -21.934 -12.664 -3.336) 25.546 21.870 ( -11.308 -6.529 3.341) 13.478 ======================= Grid point 3444 (768/781) ======================= q-point: ( 0.45 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 0.000 18.678 9.748) 21.069 2.036 ( -0.000 47.553 11.586) 48.944 3.094 ( -0.000 -0.202 -10.342) 10.344 3.132 ( -0.000 1.624 -10.073) 10.203 6.369 ( 0.000 -1.471 68.179) 68.195 8.086 ( -0.000 -1.592 -55.994) 56.016 10.639 ( 0.000 -7.589 5.572) 9.415 11.188 ( -0.000 32.039 -12.276) 34.310 11.512 ( 0.000 20.555 8.570) 22.270 11.536 ( -0.000 11.129 -3.949) 11.808 20.726 ( 0.000 -26.566 -0.744) 26.576 22.528 ( 0.000 -7.604 3.828) 8.513 ======================= Grid point 3445 (769/781) ======================= q-point: ( 0.50 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 13.909 23.493 8.390) 28.562 2.745 ( 16.904 32.140 20.961) 41.930 3.095 ( 1.356 4.170 -9.652) 10.602 3.157 ( 9.543 12.885 -19.635) 25.350 6.530 ( -1.133 -2.610 59.957) 60.024 7.904 ( -0.949 -1.024 -50.663) 50.683 10.680 ( 7.100 -5.289 1.622) 9.000 11.241 ( -4.393 12.502 -3.453) 13.694 11.814 ( 3.377 27.065 7.800) 28.368 12.099 ( 32.281 33.226 -9.914) 47.375 20.266 ( -18.092 -32.055 0.090) 36.808 22.409 ( -5.294 -9.202 4.061) 11.367 ======================= Grid point 3446 (770/781) ======================= q-point: ( 0.55 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 19.244 24.633 8.490) 32.392 2.907 ( -2.234 -2.767 5.054) 6.180 3.102 ( 0.205 2.394 -7.493) 7.869 3.962 ( 38.059 41.306 -5.375) 56.423 6.611 ( -3.043 -4.807 39.543) 39.950 7.771 ( 0.816 1.734 -33.774) 33.829 10.687 ( -4.607 4.456 -7.674) 9.999 11.433 ( 19.731 -2.133 6.896) 21.010 12.185 ( 5.431 28.982 7.412) 30.404 12.986 ( 34.632 33.720 -9.581) 49.277 19.588 ( -24.550 -29.005 -0.420) 38.002 22.211 ( -8.208 -9.496 3.172) 12.946 ======================= Grid point 3447 (771/781) ======================= q-point: ( 0.60 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -3.727 -4.331 -0.529) 5.738 3.092 ( 1.612 1.495 8.901) 9.168 3.226 ( 18.991 25.755 -6.042) 32.565 4.949 ( 35.524 31.121 1.259) 47.245 6.536 ( -6.789 -7.876 6.769) 12.407 7.818 ( 7.754 7.291 -6.964) 12.719 10.612 ( -7.840 8.742 -10.708) 15.892 11.833 ( 27.992 -5.991 9.103) 30.039 12.597 ( 8.151 27.593 7.096) 29.634 13.801 ( 28.717 26.719 -5.655) 39.630 18.939 ( -21.625 -21.411 -1.956) 30.494 21.977 ( -9.404 -9.101 1.677) 13.193 ======================= Grid point 3466 (772/781) ======================= q-point: ( 0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -0.000 27.853 6.744) 28.658 2.929 ( 0.000 3.624 15.227) 15.652 3.111 ( -0.000 1.786 -8.897) 9.074 3.247 ( -0.000 52.302 -13.497) 54.015 6.665 ( 0.000 -5.035 48.732) 48.992 7.769 ( -0.000 0.710 -42.451) 42.457 10.546 ( 0.000 -6.078 8.690) 10.605 11.627 ( -0.000 24.592 -12.786) 27.717 11.752 ( -0.000 13.972 -6.172) 15.274 12.317 ( -0.000 49.167 6.263) 49.564 20.066 ( 0.000 -38.594 0.862) 38.604 22.362 ( 0.000 -11.284 2.922) 11.656 ======================= Grid point 3467 (773/781) ======================= q-point: ( 0.55 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 4000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 12.445 28.843 5.850) 31.953 2.915 ( -1.081 -4.363 3.405) 5.639 3.102 ( -0.060 1.946 -7.831) 8.069 3.946 ( 17.581 54.697 -1.842) 57.483 6.694 ( -2.443 -8.079 25.109) 26.490 7.699 ( 0.991 4.230 -21.816) 22.244 10.620 ( 10.028 -3.911 7.400) 13.062 11.497 ( -15.608 17.775 -7.622) 24.853 12.238 ( 18.749 19.757 -4.299) 27.574 12.935 ( 14.949 47.084 1.742) 49.431 19.582 ( -12.392 -36.234 0.878) 38.304 22.218 ( -4.106 -11.821 1.589) 12.615 ======================= Grid point 3468 (774/781) ======================= q-point: ( 0.60 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2012 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( -2.648 -4.587 -0.000) 5.297 3.100 ( 0.428 0.741 0.000) 0.855 3.194 ( 17.483 30.281 -0.000) 34.965 4.788 ( 24.517 42.465 -0.000) 49.034 6.567 ( -5.950 -10.306 -0.000) 11.901 7.777 ( 4.938 8.553 -0.000) 9.876 10.764 ( 2.765 4.789 -0.000) 5.530 11.515 ( 5.144 8.910 -0.000) 10.288 12.688 ( 12.327 21.351 -0.000) 24.654 13.668 ( 21.212 36.741 -0.000) 42.425 19.017 ( -16.139 -27.954 -0.000) 32.278 22.015 ( -6.545 -11.336 -0.000) 13.090 ======================= Grid point 3488 (775/781) ======================= q-point: ( 0.55 0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -0.000 30.746 3.727) 30.971 2.880 ( 0.000 -5.521 1.511) 5.724 3.096 ( -0.000 1.464 -6.979) 7.130 4.358 ( -0.000 55.892 0.313) 55.893 6.670 ( 0.000 -10.098 4.757) 11.162 7.707 ( -0.000 7.201 -3.769) 8.127 10.506 ( 0.000 -3.944 10.894) 11.586 12.002 ( -0.000 15.700 -7.423) 17.367 12.059 ( -0.000 27.008 -11.496) 29.353 13.295 ( -0.000 45.285 6.035) 45.686 19.329 ( 0.000 -36.081 1.790) 36.125 22.133 ( 0.000 -12.839 -0.018) 12.839 ======================= Grid point 3858 (776/781) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 770 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 0.000 -0.000 7.503) 7.503 1.507 ( 0.000 -0.000 7.503) 7.503 3.087 ( -0.000 0.000 -6.603) 6.603 3.087 ( -0.000 0.000 -6.603) 6.603 6.581 ( 0.000 -0.000 65.002) 65.002 7.936 ( -0.000 0.000 -55.958) 55.958 10.772 ( 0.000 -0.000 0.232) 0.232 10.772 ( -0.000 -0.000 0.232) 0.232 11.377 ( 0.000 0.000 0.190) 0.190 11.377 ( -0.000 -0.000 0.190) 0.190 20.995 ( -0.000 0.000 -1.108) 1.108 22.612 ( 0.000 -0.000 1.615) 1.615 ======================= Grid point 3859 (777/781) ======================= q-point: ( 0.50 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 16.424 9.482 5.101) 19.639 2.084 ( 42.085 24.298 6.918) 49.086 3.065 ( -0.542 -0.313 -7.903) 7.928 3.069 ( 0.145 0.084 -3.567) 3.571 6.738 ( -1.974 -1.140 54.949) 54.996 7.770 ( -0.646 -0.373 -48.854) 48.860 10.752 ( -3.392 -1.958 -7.253) 8.243 11.008 ( 19.134 11.047 8.278) 23.594 11.445 ( 7.354 4.246 6.319) 10.584 11.657 ( 24.215 13.981 -8.059) 29.099 20.724 ( -22.548 -13.018 -0.529) 26.041 22.545 ( -6.079 -3.510 1.876) 7.266 ======================= Grid point 3860 (778/781) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 24.670 14.243 2.646) 28.609 2.951 ( 2.089 1.206 11.647) 11.895 3.072 ( 0.574 0.331 -0.338) 0.744 3.242 ( 46.551 26.876 -13.556) 55.436 6.791 ( -4.894 -2.826 28.954) 29.500 7.657 ( 1.273 0.735 -25.936) 25.978 10.629 ( -4.599 -2.655 -9.993) 11.316 11.514 ( 21.917 12.654 12.547) 28.247 11.691 ( 11.865 6.850 7.713) 15.723 12.394 ( 40.973 23.655 -10.851) 48.539 20.072 ( -33.036 -19.073 -0.588) 38.151 22.368 ( -9.711 -5.606 1.427) 11.303 ======================= Grid point 3880 (779/781) ======================= q-point: ( 0.50 0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -0.000 18.901 2.813) 19.109 2.102 ( -0.000 49.678 3.008) 49.769 3.037 ( -0.000 -2.198 -1.857) 2.877 3.070 ( -0.000 0.708 -3.802) 3.868 6.874 ( 0.000 -3.026 36.366) 36.491 7.648 ( -0.000 0.024 -33.341) 33.341 10.692 ( 0.000 -5.966 6.526) 8.842 11.089 ( -0.000 26.137 -10.205) 28.059 11.496 ( -0.000 9.997 -5.188) 11.263 11.586 ( 0.000 24.397 8.272) 25.761 20.723 ( 0.000 -26.097 -0.121) 26.097 22.549 ( 0.000 -6.888 0.948) 6.953 ======================= Grid point 3881 (780/781) ======================= q-point: ( 0.55 0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 2010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 13.911 24.094 -0.000) 27.822 2.890 ( 29.014 50.253 -0.000) 58.027 2.996 ( -1.776 -3.076 0.000) 3.551 3.073 ( 0.700 1.212 -0.000) 1.400 6.866 ( -2.917 -5.053 -0.000) 5.834 7.608 ( 0.844 1.461 0.000) 1.687 10.688 ( -0.596 -1.032 -0.000) 1.192 11.225 ( 4.580 7.933 -0.000) 9.160 11.854 ( 11.405 19.754 -0.000) 22.810 12.050 ( 23.091 39.995 -0.000) 46.182 20.266 ( -18.302 -31.700 -0.000) 36.604 22.426 ( -5.161 -8.940 -0.000) 10.323 ======================= Grid point 4300 (781/781) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.11e-04 1.97e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 0.000 -0.000 0.000) 0.000 1.540 ( 0.000 -0.000 0.000) 0.000 3.058 ( 0.000 -0.000 0.000) 0.000 3.058 ( 0.000 -0.000 0.000) 0.000 6.964 ( 0.000 -0.000 0.000) 0.000 7.594 ( -0.000 0.000 -0.000) 0.000 10.773 ( 0.000 -0.000 0.000) 0.000 10.773 ( 0.000 -0.000 0.000) 0.000 11.378 ( 0.000 -0.000 0.000) 0.000 11.378 ( 0.000 -0.000 0.000) 0.000 20.990 ( 0.000 -0.000 0.000) 0.000 22.620 ( 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 3/96000 10.0 1317.978 1317.978 10428.835 -0.000 0.000 -0.000 3/96000 20.0 1008.354 1008.354 3692.714 -0.000 0.000 -0.000 3/96000 30.0 675.916 675.916 1968.228 -0.000 0.000 -0.000 3/96000 40.0 441.589 441.589 1265.399 -0.000 0.000 -0.000 3/96000 50.0 311.290 311.290 922.734 -0.000 0.000 -0.000 3/96000 60.0 235.244 235.244 723.263 -0.000 0.000 -0.000 3/96000 70.0 186.002 186.002 589.139 -0.000 0.000 -0.000 3/96000 80.0 151.497 151.497 490.959 -0.000 0.000 -0.000 3/96000 90.0 126.111 126.111 415.880 -0.000 0.000 -0.000 3/96000 100.0 106.865 106.865 357.059 -0.000 0.000 -0.000 3/96000 110.0 91.968 91.968 310.217 -0.000 0.000 -0.000 3/96000 120.0 80.247 80.247 272.421 -0.000 0.000 -0.000 3/96000 130.0 70.887 70.887 241.571 -0.000 0.000 -0.000 3/96000 140.0 63.309 63.309 216.123 -0.000 0.000 -0.000 3/96000 150.0 57.094 57.094 194.920 -0.000 0.000 -0.000 3/96000 160.0 51.934 51.934 177.090 -0.000 0.000 -0.000 3/96000 170.0 47.600 47.600 161.963 -0.000 0.000 -0.000 3/96000 180.0 43.920 43.920 149.022 -0.000 0.000 -0.000 3/96000 190.0 40.765 40.765 137.864 -0.000 0.000 -0.000 3/96000 200.0 38.034 38.034 128.173 -0.000 0.000 -0.000 3/96000 210.0 35.651 35.651 119.696 -0.000 0.000 -0.000 3/96000 220.0 33.554 33.554 112.235 -0.000 0.000 -0.000 3/96000 230.0 31.697 31.697 105.627 -0.000 0.000 -0.000 3/96000 240.0 30.041 30.041 99.742 -0.000 0.000 -0.000 3/96000 250.0 28.556 28.556 94.472 -0.000 0.000 -0.000 3/96000 260.0 27.216 27.216 89.730 -0.000 0.000 -0.000 3/96000 270.0 26.001 26.001 85.443 -0.000 0.000 -0.000 3/96000 280.0 24.895 24.895 81.551 -0.000 0.000 -0.000 3/96000 290.0 23.883 23.883 78.002 -0.000 0.000 -0.000 3/96000 300.0 22.954 22.954 74.755 -0.000 0.000 -0.000 3/96000 310.0 22.098 22.098 71.774 -0.000 0.000 -0.000 3/96000 320.0 21.306 21.306 69.026 -0.000 0.000 -0.000 3/96000 330.0 20.572 20.572 66.487 -0.000 0.000 -0.000 3/96000 340.0 19.889 19.889 64.134 -0.000 0.000 -0.000 3/96000 350.0 19.252 19.252 61.946 -0.000 0.000 -0.000 3/96000 360.0 18.656 18.656 59.908 -0.000 0.000 -0.000 3/96000 370.0 18.098 18.098 58.004 -0.000 0.000 -0.000 3/96000 380.0 17.573 17.573 56.221 -0.000 0.000 -0.000 3/96000 390.0 17.079 17.079 54.549 -0.000 0.000 -0.000 3/96000 400.0 16.614 16.614 52.977 -0.000 0.000 -0.000 3/96000 410.0 16.174 16.174 51.496 -0.000 0.000 -0.000 3/96000 420.0 15.757 15.757 50.099 -0.000 0.000 -0.000 3/96000 430.0 15.363 15.363 48.778 -0.000 0.000 -0.000 3/96000 440.0 14.988 14.988 47.528 -0.000 0.000 -0.000 3/96000 450.0 14.632 14.632 46.343 -0.000 0.000 -0.000 3/96000 460.0 14.293 14.293 45.218 -0.000 0.000 -0.000 3/96000 470.0 13.970 13.970 44.148 -0.000 0.000 -0.000 3/96000 480.0 13.662 13.662 43.129 -0.000 0.000 -0.000 3/96000 490.0 13.367 13.367 42.158 -0.000 0.000 -0.000 3/96000 500.0 13.085 13.085 41.231 -0.000 0.000 -0.000 3/96000 510.0 12.816 12.816 40.346 -0.000 0.000 -0.000 3/96000 520.0 12.557 12.557 39.499 -0.000 0.000 -0.000 3/96000 530.0 12.309 12.309 38.688 -0.000 0.000 -0.000 3/96000 540.0 12.071 12.071 37.911 -0.000 0.000 -0.000 3/96000 550.0 11.842 11.842 37.165 -0.000 0.000 -0.000 3/96000 560.0 11.622 11.622 36.450 -0.000 0.000 -0.000 3/96000 570.0 11.410 11.410 35.762 -0.000 0.000 -0.000 3/96000 580.0 11.206 11.206 35.100 -0.000 0.000 -0.000 3/96000 590.0 11.009 11.009 34.464 -0.000 0.000 -0.000 3/96000 600.0 10.820 10.820 33.851 -0.000 0.000 -0.000 3/96000 610.0 10.637 10.637 33.259 -0.000 0.000 -0.000 3/96000 620.0 10.460 10.460 32.689 -0.000 0.000 -0.000 3/96000 630.0 10.289 10.289 32.139 -0.000 0.000 -0.000 3/96000 640.0 10.123 10.123 31.607 -0.000 0.000 -0.000 3/96000 650.0 9.963 9.963 31.093 -0.000 0.000 -0.000 3/96000 660.0 9.808 9.808 30.596 -0.000 0.000 -0.000 3/96000 670.0 9.658 9.658 30.115 -0.000 0.000 -0.000 3/96000 680.0 9.512 9.512 29.650 -0.000 0.000 -0.000 3/96000 690.0 9.371 9.371 29.199 -0.000 0.000 -0.000 3/96000 700.0 9.234 9.234 28.761 -0.000 0.000 -0.000 3/96000 710.0 9.101 9.101 28.338 -0.000 0.000 -0.000 3/96000 720.0 8.972 8.972 27.926 -0.000 0.000 -0.000 3/96000 730.0 8.847 8.847 27.527 -0.000 0.000 -0.000 3/96000 740.0 8.725 8.725 27.139 -0.000 0.000 -0.000 3/96000 750.0 8.607 8.607 26.763 -0.000 0.000 -0.000 3/96000 760.0 8.491 8.491 26.396 -0.000 0.000 -0.000 3/96000 770.0 8.379 8.379 26.040 -0.000 0.000 -0.000 3/96000 780.0 8.270 8.270 25.694 -0.000 0.000 -0.000 3/96000 790.0 8.163 8.163 25.357 -0.000 0.000 -0.000 3/96000 800.0 8.060 8.060 25.029 -0.000 0.000 -0.000 3/96000 810.0 7.959 7.959 24.709 -0.000 0.000 -0.000 3/96000 820.0 7.860 7.860 24.398 -0.000 0.000 -0.000 3/96000 830.0 7.764 7.764 24.095 -0.000 0.000 -0.000 3/96000 840.0 7.671 7.671 23.799 -0.000 0.000 -0.000 3/96000 850.0 7.579 7.579 23.510 -0.000 0.000 -0.000 3/96000 860.0 7.490 7.490 23.229 -0.000 0.000 -0.000 3/96000 870.0 7.403 7.403 22.954 -0.000 0.000 -0.000 3/96000 880.0 7.318 7.318 22.686 -0.000 0.000 -0.000 3/96000 890.0 7.235 7.235 22.424 -0.000 0.000 -0.000 3/96000 900.0 7.153 7.153 22.168 -0.000 0.000 -0.000 3/96000 910.0 7.074 7.074 21.919 -0.000 0.000 -0.000 3/96000 920.0 6.996 6.996 21.674 -0.000 0.000 -0.000 3/96000 930.0 6.920 6.920 21.436 -0.000 0.000 -0.000 3/96000 940.0 6.846 6.846 21.202 -0.000 0.000 -0.000 3/96000 950.0 6.773 6.773 20.974 -0.000 0.000 -0.000 3/96000 960.0 6.702 6.702 20.751 -0.000 0.000 -0.000 3/96000 970.0 6.632 6.632 20.532 -0.000 0.000 -0.000 3/96000 980.0 6.564 6.564 20.318 -0.000 0.000 -0.000 3/96000 990.0 6.497 6.497 20.109 -0.000 0.000 -0.000 3/96000 1000.0 6.432 6.432 19.903 -0.000 0.000 -0.000 3/96000 Thermal conductivity related properties were written into "kappa-m202020.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:08:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|