----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:41:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.989291291010170 1.148517862361297 7.284704346666659 b -1.989291291010166 1.148517862361297 7.284704346666659 c 0.000000000000002 -2.297035724722598 7.284704346666659 Atomic positions (fractional): *1 S 0.26638410732085 0.26638410732085 0.26638410732085 32.065 2 S 0.73361589267915 0.73361589267915 0.73361589267915 32.065 *3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 *4 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.978582582020336 0.000000000000000 0.000000000000000 b -1.989291291010168 3.445553587083896 0.000000000000000 c 0.000000000000000 0.000000000000000 21.854113040000001 Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.26638410732085 32.065 > 1 2 S 0.66666666666667 0.33333333333333 0.06694922601248 32.065 > 2 3 S 0.66666666666667 0.33333333333333 0.59971744065419 32.065 > 1 4 S 0.33333333333333 0.66666666666667 0.40028255934581 32.065 > 2 5 S 0.33333333333333 0.66666666666667 0.93305077398752 32.065 > 1 6 S 0.00000000000000 0.00000000000000 0.73361589267915 32.065 > 2 *7 K 0.33333333333333 0.66666666666667 0.16666666666667 39.098 > 3 8 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 3 9 K 0.66666666666667 0.33333333333333 0.83333333333333 39.098 > 3 *10 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 4 11 Ho 0.66666666666667 0.33333333333333 0.33333333333333 164.930 > 4 12 Ho 0.33333333333333 0.66666666666667 0.66666666666667 164.930 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.935747746061008 0.000000000000000 0.000000000000000 b -5.967873873030504 10.336660761251688 0.000000000000000 c 0.000000000000000 0.000000000000000 21.854113040000001 Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.26638410732085 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.26638410732085 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.26638410732085 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.26638410732085 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.26638410732085 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.26638410732085 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.26638410732085 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.26638410732085 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.26638410732085 32.065 > 1 10 S 0.22222222222222 0.11111111111111 0.06694922601248 32.065 > 2 11 S 0.55555555555556 0.11111111111111 0.06694922601248 32.065 > 2 12 S 0.88888888888889 0.11111111111111 0.06694922601248 32.065 > 2 13 S 0.22222222222222 0.44444444444444 0.06694922601248 32.065 > 2 14 S 0.55555555555556 0.44444444444444 0.06694922601248 32.065 > 2 15 S 0.88888888888889 0.44444444444444 0.06694922601248 32.065 > 2 16 S 0.22222222222222 0.77777777777778 0.06694922601248 32.065 > 2 17 S 0.55555555555556 0.77777777777778 0.06694922601248 32.065 > 2 18 S 0.88888888888889 0.77777777777778 0.06694922601248 32.065 > 2 19 S 0.22222222222222 0.11111111111111 0.59971744065419 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.59971744065419 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.59971744065419 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.59971744065419 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.59971744065419 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.59971744065419 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.59971744065419 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.59971744065419 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.59971744065419 32.065 > 1 28 S 0.11111111111111 0.22222222222222 0.40028255934581 32.065 > 2 29 S 0.44444444444444 0.22222222222222 0.40028255934581 32.065 > 2 30 S 0.77777777777778 0.22222222222222 0.40028255934581 32.065 > 2 31 S 0.11111111111111 0.55555555555556 0.40028255934581 32.065 > 2 32 S 0.44444444444444 0.55555555555556 0.40028255934581 32.065 > 2 33 S 0.77777777777778 0.55555555555556 0.40028255934581 32.065 > 2 34 S 0.11111111111111 0.88888888888889 0.40028255934581 32.065 > 2 35 S 0.44444444444444 0.88888888888889 0.40028255934581 32.065 > 2 36 S 0.77777777777778 0.88888888888889 0.40028255934581 32.065 > 2 37 S 0.11111111111111 0.22222222222222 0.93305077398752 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.93305077398752 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.93305077398752 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.93305077398752 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.93305077398752 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.93305077398752 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.93305077398752 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.93305077398752 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.93305077398752 32.065 > 1 46 S 0.00000000000000 0.00000000000000 0.73361589267915 32.065 > 2 47 S 0.33333333333333 0.00000000000000 0.73361589267915 32.065 > 2 48 S 0.66666666666667 0.00000000000000 0.73361589267915 32.065 > 2 49 S 0.00000000000000 0.33333333333333 0.73361589267915 32.065 > 2 50 S 0.33333333333333 0.33333333333333 0.73361589267915 32.065 > 2 51 S 0.66666666666667 0.33333333333333 0.73361589267915 32.065 > 2 52 S 0.00000000000000 0.66666666666667 0.73361589267915 32.065 > 2 53 S 0.33333333333333 0.66666666666667 0.73361589267915 32.065 > 2 54 S 0.66666666666667 0.66666666666667 0.73361589267915 32.065 > 2 *55 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 3 56 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 3 57 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 3 58 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 3 59 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 3 60 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 3 61 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 3 62 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 3 63 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 3 64 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 3 65 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 3 66 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 3 67 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 3 68 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 3 69 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 3 70 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 3 71 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 3 72 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 3 73 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 3 74 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 3 75 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 3 76 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 3 77 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 3 78 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 3 79 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 3 80 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 3 81 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 3 *82 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 4 83 Ho 0.33333333333333 0.00000000000000 0.00000000000000 164.930 > 4 84 Ho 0.66666666666667 0.00000000000000 0.00000000000000 164.930 > 4 85 Ho 0.00000000000000 0.33333333333333 0.00000000000000 164.930 > 4 86 Ho 0.33333333333333 0.33333333333333 0.00000000000000 164.930 > 4 87 Ho 0.66666666666667 0.33333333333333 0.00000000000000 164.930 > 4 88 Ho 0.00000000000000 0.66666666666667 0.00000000000000 164.930 > 4 89 Ho 0.33333333333333 0.66666666666667 0.00000000000000 164.930 > 4 90 Ho 0.66666666666667 0.66666666666667 0.00000000000000 164.930 > 4 91 Ho 0.22222222222222 0.11111111111111 0.33333333333333 164.930 > 4 92 Ho 0.55555555555556 0.11111111111111 0.33333333333333 164.930 > 4 93 Ho 0.88888888888889 0.11111111111111 0.33333333333333 164.930 > 4 94 Ho 0.22222222222222 0.44444444444444 0.33333333333333 164.930 > 4 95 Ho 0.55555555555556 0.44444444444444 0.33333333333333 164.930 > 4 96 Ho 0.88888888888889 0.44444444444444 0.33333333333333 164.930 > 4 97 Ho 0.22222222222222 0.77777777777778 0.33333333333333 164.930 > 4 98 Ho 0.55555555555556 0.77777777777778 0.33333333333333 164.930 > 4 99 Ho 0.88888888888889 0.77777777777778 0.33333333333333 164.930 > 4 100 Ho 0.11111111111111 0.22222222222222 0.66666666666667 164.930 > 4 101 Ho 0.44444444444444 0.22222222222222 0.66666666666667 164.930 > 4 102 Ho 0.77777777777778 0.22222222222222 0.66666666666667 164.930 > 4 103 Ho 0.11111111111111 0.55555555555556 0.66666666666667 164.930 > 4 104 Ho 0.44444444444444 0.55555555555556 0.66666666666667 164.930 > 4 105 Ho 0.77777777777778 0.55555555555556 0.66666666666667 164.930 > 4 106 Ho 0.11111111111111 0.88888888888889 0.66666666666667 164.930 > 4 107 Ho 0.44444444444444 0.88888888888889 0.66666666666667 164.930 > 4 108 Ho 0.77777777777778 0.88888888888889 0.66666666666667 164.930 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6517970 -0.0000000 0.0000000 0.0000000 5.6517970 0.0000000 0.0000000 0.0000000 4.1504856 -------------------------- Born effective charges -------------------------- 1 S -2.7250255 0.0000000 0.0000000 0.0000000 -2.7250255 0.0000000 0.0000000 0.0000000 -1.7957261 2 S -2.7250255 0.0000000 0.0000000 0.0000000 -2.7250255 0.0000000 0.0000000 0.0000000 -1.7957261 3 K 1.0328508 -0.0000000 0.0000000 0.0000000 1.0328508 0.0000000 0.0000000 0.0000000 1.7753749 4 Ho 4.4172001 -0.0000000 0.0000000 0.0000000 4.4172001 0.0000000 0.0000000 0.0000000 1.8160774 ---------------------------------------------------------------------------- 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: 199 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: 0.131 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.138 --------------------------------- 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: 199 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:41:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:41:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.989291291010170 1.148517862361297 7.284704346666659 b -1.989291291010166 1.148517862361297 7.284704346666659 c 0.000000000000002 -2.297035724722598 7.284704346666659 Atomic positions (fractional): 1 S 0.26638410732085 0.26638410732085 0.26638410732085 32.065 2 S 0.73361589267915 0.73361589267915 0.73361589267915 32.065 3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 4 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.935747746061008 0.000000000000000 0.000000000000000 b -5.967873873030504 10.336660761251688 0.000000000000000 c 0.000000000000000 0.000000000000000 21.854113040000001 Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.26638410732085 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.26638410732085 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.26638410732085 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.26638410732085 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.26638410732085 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.26638410732085 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.26638410732085 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.26638410732085 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.26638410732085 32.065 > 1 10 S 0.22222222222222 0.11111111111111 0.06694922601248 32.065 > 10 11 S 0.55555555555556 0.11111111111111 0.06694922601248 32.065 > 10 12 S 0.88888888888889 0.11111111111111 0.06694922601248 32.065 > 10 13 S 0.22222222222222 0.44444444444444 0.06694922601248 32.065 > 10 14 S 0.55555555555556 0.44444444444444 0.06694922601248 32.065 > 10 15 S 0.88888888888889 0.44444444444444 0.06694922601248 32.065 > 10 16 S 0.22222222222222 0.77777777777778 0.06694922601248 32.065 > 10 17 S 0.55555555555556 0.77777777777778 0.06694922601248 32.065 > 10 18 S 0.88888888888889 0.77777777777778 0.06694922601248 32.065 > 10 19 S 0.22222222222222 0.11111111111111 0.59971744065419 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.59971744065419 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.59971744065419 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.59971744065419 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.59971744065419 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.59971744065419 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.59971744065419 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.59971744065419 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.59971744065419 32.065 > 1 28 S 0.11111111111111 0.22222222222222 0.40028255934581 32.065 > 10 29 S 0.44444444444444 0.22222222222222 0.40028255934581 32.065 > 10 30 S 0.77777777777778 0.22222222222222 0.40028255934581 32.065 > 10 31 S 0.11111111111111 0.55555555555556 0.40028255934581 32.065 > 10 32 S 0.44444444444444 0.55555555555556 0.40028255934581 32.065 > 10 33 S 0.77777777777778 0.55555555555556 0.40028255934581 32.065 > 10 34 S 0.11111111111111 0.88888888888889 0.40028255934581 32.065 > 10 35 S 0.44444444444444 0.88888888888889 0.40028255934581 32.065 > 10 36 S 0.77777777777778 0.88888888888889 0.40028255934581 32.065 > 10 37 S 0.11111111111111 0.22222222222222 0.93305077398752 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.93305077398752 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.93305077398752 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.93305077398752 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.93305077398752 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.93305077398752 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.93305077398752 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.93305077398752 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.93305077398752 32.065 > 1 46 S 0.00000000000000 0.00000000000000 0.73361589267915 32.065 > 10 47 S 0.33333333333333 0.00000000000000 0.73361589267915 32.065 > 10 48 S 0.66666666666667 0.00000000000000 0.73361589267915 32.065 > 10 49 S 0.00000000000000 0.33333333333333 0.73361589267915 32.065 > 10 50 S 0.33333333333333 0.33333333333333 0.73361589267915 32.065 > 10 51 S 0.66666666666667 0.33333333333333 0.73361589267915 32.065 > 10 52 S 0.00000000000000 0.66666666666667 0.73361589267915 32.065 > 10 53 S 0.33333333333333 0.66666666666667 0.73361589267915 32.065 > 10 54 S 0.66666666666667 0.66666666666667 0.73361589267915 32.065 > 10 55 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 55 56 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 55 57 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 55 58 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 55 59 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 55 60 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 55 61 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 55 62 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 55 63 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 55 64 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 55 65 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 55 66 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 55 67 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 55 68 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 55 69 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 55 70 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 55 71 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 55 72 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 55 73 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 55 74 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 55 75 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 55 76 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 55 77 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 55 78 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 55 79 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 55 80 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 55 81 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 55 82 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 82 83 Ho 0.33333333333333 0.00000000000000 0.00000000000000 164.930 > 82 84 Ho 0.66666666666667 0.00000000000000 0.00000000000000 164.930 > 82 85 Ho 0.00000000000000 0.33333333333333 0.00000000000000 164.930 > 82 86 Ho 0.33333333333333 0.33333333333333 0.00000000000000 164.930 > 82 87 Ho 0.66666666666667 0.33333333333333 0.00000000000000 164.930 > 82 88 Ho 0.00000000000000 0.66666666666667 0.00000000000000 164.930 > 82 89 Ho 0.33333333333333 0.66666666666667 0.00000000000000 164.930 > 82 90 Ho 0.66666666666667 0.66666666666667 0.00000000000000 164.930 > 82 91 Ho 0.22222222222222 0.11111111111111 0.33333333333333 164.930 > 82 92 Ho 0.55555555555556 0.11111111111111 0.33333333333333 164.930 > 82 93 Ho 0.88888888888889 0.11111111111111 0.33333333333333 164.930 > 82 94 Ho 0.22222222222222 0.44444444444444 0.33333333333333 164.930 > 82 95 Ho 0.55555555555556 0.44444444444444 0.33333333333333 164.930 > 82 96 Ho 0.88888888888889 0.44444444444444 0.33333333333333 164.930 > 82 97 Ho 0.22222222222222 0.77777777777778 0.33333333333333 164.930 > 82 98 Ho 0.55555555555556 0.77777777777778 0.33333333333333 164.930 > 82 99 Ho 0.88888888888889 0.77777777777778 0.33333333333333 164.930 > 82 100 Ho 0.11111111111111 0.22222222222222 0.66666666666667 164.930 > 82 101 Ho 0.44444444444444 0.22222222222222 0.66666666666667 164.930 > 82 102 Ho 0.77777777777778 0.22222222222222 0.66666666666667 164.930 > 82 103 Ho 0.11111111111111 0.55555555555556 0.66666666666667 164.930 > 82 104 Ho 0.44444444444444 0.55555555555556 0.66666666666667 164.930 > 82 105 Ho 0.77777777777778 0.55555555555556 0.66666666666667 164.930 > 82 106 Ho 0.11111111111111 0.88888888888889 0.66666666666667 164.930 > 82 107 Ho 0.44444444444444 0.88888888888889 0.66666666666667 164.930 > 82 108 Ho 0.77777777777778 0.88888888888889 0.66666666666667 164.930 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6517970 -0.0000000 0.0000000 0.0000000 5.6517970 0.0000000 0.0000000 0.0000000 4.1504856 -------------------------- Born effective charges -------------------------- 1 S -2.7250255 0.0000000 0.0000000 0.0000000 -2.7250255 0.0000000 0.0000000 0.0000000 -1.7957261 2 S -2.7250255 0.0000000 0.0000000 0.0000000 -2.7250255 0.0000000 0.0000000 0.0000000 -1.7957261 3 K 1.0328508 -0.0000000 0.0000000 0.0000000 1.0328508 0.0000000 0.0000000 0.0000000 1.7753749 4 Ho 4.4172001 -0.0000000 0.0000000 0.0000000 4.4172001 0.0000000 0.0000000 0.0000000 1.8160774 ---------------------------------------------------------------------------- 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 (zyy) -0.00000000 (zyy) -0.00000000 (zyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:41:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:41:57]------------------------- 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 1.989291291010170 1.148517862361297 7.284704346666659 b -1.989291291010166 1.148517862361297 7.284704346666659 c 0.000000000000002 -2.297035724722598 7.284704346666659 Atomic positions (fractional): 1 S 0.26638410732085 0.26638410732085 0.26638410732085 32.065 2 S 0.73361589267915 0.73361589267915 0.73361589267915 32.065 3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 4 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.935747746061008 0.000000000000000 0.000000000000000 b -5.967873873030504 10.336660761251688 0.000000000000000 c 0.000000000000000 0.000000000000000 21.854113040000001 Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.26638410732085 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.26638410732085 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.26638410732085 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.26638410732085 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.26638410732085 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.26638410732085 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.26638410732085 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.26638410732085 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.26638410732085 32.065 > 1 10 S 0.22222222222222 0.11111111111111 0.06694922601248 32.065 > 10 11 S 0.55555555555556 0.11111111111111 0.06694922601248 32.065 > 10 12 S 0.88888888888889 0.11111111111111 0.06694922601248 32.065 > 10 13 S 0.22222222222222 0.44444444444444 0.06694922601248 32.065 > 10 14 S 0.55555555555556 0.44444444444444 0.06694922601248 32.065 > 10 15 S 0.88888888888889 0.44444444444444 0.06694922601248 32.065 > 10 16 S 0.22222222222222 0.77777777777778 0.06694922601248 32.065 > 10 17 S 0.55555555555556 0.77777777777778 0.06694922601248 32.065 > 10 18 S 0.88888888888889 0.77777777777778 0.06694922601248 32.065 > 10 19 S 0.22222222222222 0.11111111111111 0.59971744065419 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.59971744065419 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.59971744065419 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.59971744065419 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.59971744065419 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.59971744065419 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.59971744065419 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.59971744065419 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.59971744065419 32.065 > 1 28 S 0.11111111111111 0.22222222222222 0.40028255934581 32.065 > 10 29 S 0.44444444444444 0.22222222222222 0.40028255934581 32.065 > 10 30 S 0.77777777777778 0.22222222222222 0.40028255934581 32.065 > 10 31 S 0.11111111111111 0.55555555555556 0.40028255934581 32.065 > 10 32 S 0.44444444444444 0.55555555555556 0.40028255934581 32.065 > 10 33 S 0.77777777777778 0.55555555555556 0.40028255934581 32.065 > 10 34 S 0.11111111111111 0.88888888888889 0.40028255934581 32.065 > 10 35 S 0.44444444444444 0.88888888888889 0.40028255934581 32.065 > 10 36 S 0.77777777777778 0.88888888888889 0.40028255934581 32.065 > 10 37 S 0.11111111111111 0.22222222222222 0.93305077398752 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.93305077398752 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.93305077398752 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.93305077398752 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.93305077398752 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.93305077398752 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.93305077398752 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.93305077398752 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.93305077398752 32.065 > 1 46 S 0.00000000000000 0.00000000000000 0.73361589267915 32.065 > 10 47 S 0.33333333333333 0.00000000000000 0.73361589267915 32.065 > 10 48 S 0.66666666666667 0.00000000000000 0.73361589267915 32.065 > 10 49 S 0.00000000000000 0.33333333333333 0.73361589267915 32.065 > 10 50 S 0.33333333333333 0.33333333333333 0.73361589267915 32.065 > 10 51 S 0.66666666666667 0.33333333333333 0.73361589267915 32.065 > 10 52 S 0.00000000000000 0.66666666666667 0.73361589267915 32.065 > 10 53 S 0.33333333333333 0.66666666666667 0.73361589267915 32.065 > 10 54 S 0.66666666666667 0.66666666666667 0.73361589267915 32.065 > 10 55 K 0.11111111111111 0.22222222222222 0.16666666666667 39.098 > 55 56 K 0.44444444444444 0.22222222222222 0.16666666666667 39.098 > 55 57 K 0.77777777777778 0.22222222222222 0.16666666666667 39.098 > 55 58 K 0.11111111111111 0.55555555555556 0.16666666666667 39.098 > 55 59 K 0.44444444444444 0.55555555555556 0.16666666666667 39.098 > 55 60 K 0.77777777777778 0.55555555555556 0.16666666666667 39.098 > 55 61 K 0.11111111111111 0.88888888888889 0.16666666666667 39.098 > 55 62 K 0.44444444444444 0.88888888888889 0.16666666666667 39.098 > 55 63 K 0.77777777777778 0.88888888888889 0.16666666666667 39.098 > 55 64 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 55 65 K 0.33333333333333 0.00000000000000 0.50000000000000 39.098 > 55 66 K 0.66666666666667 0.00000000000000 0.50000000000000 39.098 > 55 67 K 0.00000000000000 0.33333333333333 0.50000000000000 39.098 > 55 68 K 0.33333333333333 0.33333333333333 0.50000000000000 39.098 > 55 69 K 0.66666666666667 0.33333333333333 0.50000000000000 39.098 > 55 70 K 0.00000000000000 0.66666666666667 0.50000000000000 39.098 > 55 71 K 0.33333333333333 0.66666666666667 0.50000000000000 39.098 > 55 72 K 0.66666666666667 0.66666666666667 0.50000000000000 39.098 > 55 73 K 0.22222222222222 0.11111111111111 0.83333333333333 39.098 > 55 74 K 0.55555555555556 0.11111111111111 0.83333333333333 39.098 > 55 75 K 0.88888888888889 0.11111111111111 0.83333333333333 39.098 > 55 76 K 0.22222222222222 0.44444444444444 0.83333333333333 39.098 > 55 77 K 0.55555555555556 0.44444444444444 0.83333333333333 39.098 > 55 78 K 0.88888888888889 0.44444444444444 0.83333333333333 39.098 > 55 79 K 0.22222222222222 0.77777777777778 0.83333333333333 39.098 > 55 80 K 0.55555555555556 0.77777777777778 0.83333333333333 39.098 > 55 81 K 0.88888888888889 0.77777777777778 0.83333333333333 39.098 > 55 82 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 82 83 Ho 0.33333333333333 0.00000000000000 0.00000000000000 164.930 > 82 84 Ho 0.66666666666667 0.00000000000000 0.00000000000000 164.930 > 82 85 Ho 0.00000000000000 0.33333333333333 0.00000000000000 164.930 > 82 86 Ho 0.33333333333333 0.33333333333333 0.00000000000000 164.930 > 82 87 Ho 0.66666666666667 0.33333333333333 0.00000000000000 164.930 > 82 88 Ho 0.00000000000000 0.66666666666667 0.00000000000000 164.930 > 82 89 Ho 0.33333333333333 0.66666666666667 0.00000000000000 164.930 > 82 90 Ho 0.66666666666667 0.66666666666667 0.00000000000000 164.930 > 82 91 Ho 0.22222222222222 0.11111111111111 0.33333333333333 164.930 > 82 92 Ho 0.55555555555556 0.11111111111111 0.33333333333333 164.930 > 82 93 Ho 0.88888888888889 0.11111111111111 0.33333333333333 164.930 > 82 94 Ho 0.22222222222222 0.44444444444444 0.33333333333333 164.930 > 82 95 Ho 0.55555555555556 0.44444444444444 0.33333333333333 164.930 > 82 96 Ho 0.88888888888889 0.44444444444444 0.33333333333333 164.930 > 82 97 Ho 0.22222222222222 0.77777777777778 0.33333333333333 164.930 > 82 98 Ho 0.55555555555556 0.77777777777778 0.33333333333333 164.930 > 82 99 Ho 0.88888888888889 0.77777777777778 0.33333333333333 164.930 > 82 100 Ho 0.11111111111111 0.22222222222222 0.66666666666667 164.930 > 82 101 Ho 0.44444444444444 0.22222222222222 0.66666666666667 164.930 > 82 102 Ho 0.77777777777778 0.22222222222222 0.66666666666667 164.930 > 82 103 Ho 0.11111111111111 0.55555555555556 0.66666666666667 164.930 > 82 104 Ho 0.44444444444444 0.55555555555556 0.66666666666667 164.930 > 82 105 Ho 0.77777777777778 0.55555555555556 0.66666666666667 164.930 > 82 106 Ho 0.11111111111111 0.88888888888889 0.66666666666667 164.930 > 82 107 Ho 0.44444444444444 0.88888888888889 0.66666666666667 164.930 > 82 108 Ho 0.77777777777778 0.88888888888889 0.66666666666667 164.930 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6517970 -0.0000000 0.0000000 0.0000000 5.6517970 0.0000000 0.0000000 0.0000000 4.1504856 -------------------------- Born effective charges -------------------------- 1 S -2.7250255 0.0000000 0.0000000 0.0000000 -2.7250255 0.0000000 0.0000000 0.0000000 -1.7957261 2 S -2.7250255 0.0000000 0.0000000 0.0000000 -2.7250255 0.0000000 0.0000000 0.0000000 -1.7957261 3 K 1.0328508 -0.0000000 0.0000000 0.0000000 1.0328508 0.0000000 0.0000000 0.0000000 1.7753749 4 Ho 4.4172001 -0.0000000 0.0000000 0.0000000 4.4172001 0.0000000 0.0000000 0.0000000 1.8160774 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zyy) -0.00000000 (zyy) -0.00000000 (zyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.90, Number of G-points: 313, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 4.898 ( 0.000 0.000 0.000) 0.000 5.379 ( 0.000 0.000 0.000) 0.000 5.379 ( 0.000 0.000 0.000) 0.000 6.501 ( 0.000 0.000 0.000) 0.000 6.501 ( 0.000 0.000 0.000) 0.000 7.156 ( 0.000 0.000 0.000) 0.000 8.219 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 20.565 11.873 -3.924) 24.068 0.474 ( 21.634 12.491 -2.973) 25.157 0.929 ( 39.155 22.606 12.045) 46.790 2.976 ( 0.537 0.310 0.267) 0.675 3.042 ( 5.262 3.038 -1.492) 6.256 4.864 ( -3.272 -1.889 0.642) 3.833 5.406 ( 2.270 1.311 1.075) 2.833 6.485 ( -1.295 -0.748 -0.518) 1.582 6.490 ( -1.310 -0.756 0.569) 1.616 7.138 ( 2.859 1.651 -15.521) 15.869 8.159 ( -5.261 -3.037 1.288) 6.210 8.740 ( -1.262 -0.729 -0.259) 1.480 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 20.531 11.853 -3.893) 24.024 0.946 ( 21.444 12.381 -4.456) 25.160 1.801 ( 35.569 20.536 8.041) 41.851 2.995 ( 0.969 0.560 0.535) 1.241 3.200 ( 9.150 5.283 -1.525) 10.675 4.763 ( -5.792 -3.344 0.525) 6.708 5.486 ( 4.324 2.496 2.000) 5.378 6.437 ( -3.653 -2.109 0.929) 4.319 6.446 ( -1.813 -1.047 -1.053) 2.344 7.174 ( 3.417 1.973 -6.589) 7.680 8.009 ( -8.346 -4.819 2.271) 9.902 8.682 ( -3.556 -2.053 -3.780) 5.581 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 19.658 11.349 -3.881) 23.028 1.395 ( 19.989 11.541 -6.249) 23.913 2.534 ( 27.945 16.134 0.453) 32.271 3.022 ( 1.221 0.705 0.822) 1.632 3.441 ( 12.479 7.205 1.603) 14.499 4.619 ( -7.291 -4.209 2.806) 8.874 5.607 ( 5.718 3.301 2.689) 7.129 6.342 ( -4.631 -2.674 0.941) 5.430 6.407 ( -1.099 -0.635 -1.597) 2.040 7.240 ( 3.072 1.774 -1.551) 3.871 7.811 ( -9.874 -5.701 2.431) 11.658 8.562 ( -5.342 -3.084 -7.247) 9.517 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 17.405 10.049 -3.830) 20.459 1.786 ( 16.555 9.558 -7.615) 20.577 3.032 ( 17.961 10.370 -6.809) 21.829 3.052 ( 1.230 0.710 1.127) 1.813 3.763 ( 14.649 8.458 5.070) 17.659 4.465 ( -7.568 -4.369 6.816) 11.082 5.747 ( 5.816 3.358 3.036) 7.370 6.261 ( -2.409 -1.391 0.848) 2.908 6.396 ( 0.747 0.431 -2.024) 2.200 7.275 ( -0.430 -0.248 1.023) 1.137 7.585 ( -10.896 -6.291 1.170) 12.635 8.426 ( -3.920 -2.263 -8.508) 9.637 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 11.268 6.506 -7.499) 15.018 2.077 ( 13.705 7.912 -3.534) 16.215 3.081 ( 0.966 0.558 1.345) 1.747 3.346 ( 13.212 7.628 -7.172) 16.857 4.067 ( 10.358 5.980 2.442) 12.207 4.329 ( -6.907 -3.987 10.783) 13.412 5.873 ( 4.439 2.563 2.774) 5.829 6.256 ( 1.898 1.096 0.481) 2.243 6.430 ( 2.751 1.589 -1.988) 3.748 7.211 ( -6.132 -3.540 2.923) 7.660 7.337 ( -10.251 -5.918 -3.445) 12.328 8.359 ( -0.003 -0.001 -5.698) 5.698 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 5.709 3.296 -5.237) 8.419 2.321 ( 8.819 5.092 -2.674) 10.528 3.102 ( 0.523 0.302 1.226) 1.366 3.609 ( 12.424 7.173 -6.010) 15.554 4.185 ( -4.287 -2.475 11.735) 12.737 4.255 ( 1.430 0.826 -0.419) 1.704 5.958 ( 2.523 1.457 1.829) 3.440 6.341 ( 5.376 3.104 -0.479) 6.226 6.495 ( 3.149 1.818 -1.341) 3.876 7.000 ( -12.002 -6.929 2.767) 14.132 7.165 ( -4.379 -2.528 -4.947) 7.074 8.374 ( 1.864 1.076 -2.160) 3.049 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 1.589 0.917 -1.792) 2.565 2.449 ( 3.064 1.769 -1.033) 3.686 3.112 ( 0.137 0.079 0.524) 0.547 3.859 ( 11.534 6.659 -8.140) 15.609 4.061 ( -9.167 -5.292 13.134) 16.868 4.284 ( 0.842 0.486 -2.873) 3.033 5.999 ( 0.805 0.465 0.616) 1.115 6.471 ( 5.483 3.166 -1.143) 6.434 6.546 ( 1.355 0.782 -0.451) 1.629 6.768 ( -7.990 -4.613 1.452) 9.340 7.087 ( -1.577 -0.910 -1.835) 2.585 8.406 ( 0.954 0.551 -0.423) 1.180 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 0.000 22.869 13.719) 26.669 0.549 ( 0.000 25.098 10.279) 27.122 0.891 ( -0.000 43.820 5.635) 44.181 2.969 ( -0.000 0.327 -1.435) 1.471 3.047 ( -0.000 6.463 -0.401) 6.476 4.861 ( 0.000 -4.586 -0.077) 4.586 5.391 ( -0.000 1.997 -2.127) 2.918 6.486 ( 0.000 -1.748 -0.155) 1.755 6.494 ( 0.000 -1.150 1.239) 1.690 7.065 ( -0.000 9.240 -29.119) 30.550 8.164 ( 0.000 -6.145 2.212) 6.532 8.754 ( 0.000 -1.272 2.341) 2.665 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 4.916 20.549 10.124) 23.429 0.950 ( 8.677 26.009 0.108) 27.419 1.568 ( 24.564 33.844 8.226) 42.620 2.986 ( 1.664 0.975 -1.018) 2.181 3.146 ( 3.704 8.239 -1.185) 9.111 4.785 ( -2.484 -5.969 -1.210) 6.577 5.446 ( 3.806 2.841 -0.948) 4.843 6.450 ( -1.320 -2.957 -0.531) 3.281 6.470 ( -1.753 -1.490 1.412) 2.699 7.105 ( 3.783 4.627 -15.344) 16.467 8.064 ( -4.383 -7.904 3.025) 9.531 8.715 ( -3.302 -1.705 -0.668) 3.776 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 14.080 16.593 3.596) 22.056 1.339 ( 9.953 22.611 -3.076) 24.895 2.295 ( 24.121 25.464 2.520) 35.165 3.030 ( 1.197 2.975 0.094) 3.208 3.330 ( 9.123 8.424 0.265) 12.420 4.664 ( -4.038 -6.997 0.256) 8.082 5.558 ( 5.384 4.133 0.693) 6.823 6.377 ( -2.995 -4.171 -0.194) 5.139 6.429 ( -2.064 -0.246 0.422) 2.121 7.179 ( 4.718 2.674 -7.171) 8.991 7.896 ( -7.104 -8.462 3.418) 11.565 8.606 ( -5.861 -2.983 -4.584) 8.016 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 16.158 14.154 -0.685) 21.492 1.692 ( 10.231 17.442 -4.509) 20.717 2.843 ( 17.313 16.666 -5.861) 24.735 3.077 ( -0.145 4.603 0.488) 4.631 3.623 ( 13.979 9.575 4.854) 17.625 4.527 ( -4.526 -7.282 3.779) 9.370 5.703 ( 5.746 5.167 1.972) 7.975 6.287 ( -2.782 -3.130 0.062) 4.188 6.407 ( -1.174 1.588 -0.720) 2.102 7.250 ( 3.070 0.297 -2.683) 4.088 7.689 ( -8.975 -8.480 3.167) 12.747 8.451 ( -5.851 -3.419 -7.513) 10.118 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 13.850 11.049 -4.362) 18.246 1.989 ( 9.424 13.119 -3.783) 16.590 3.112 ( -0.974 4.498 0.488) 4.629 3.197 ( 12.574 11.402 -7.633) 18.612 3.958 ( 11.994 8.232 4.204) 15.142 4.401 ( -4.284 -6.819 8.034) 11.375 5.851 ( 4.514 5.594 2.781) 7.708 6.244 ( 0.162 -0.511 -0.130) 0.551 6.420 ( 0.434 3.296 -1.462) 3.632 7.251 ( -1.328 -2.102 -1.563) 2.937 7.447 ( -11.070 -8.372 1.479) 13.958 8.334 ( -1.395 -2.383 -6.680) 7.228 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 8.099 5.491 -5.796) 11.373 2.255 ( 8.113 12.229 -2.291) 14.854 3.132 ( -1.452 3.413 0.872) 3.810 3.476 ( 11.183 9.975 -6.145) 16.196 4.170 ( 5.527 3.092 1.476) 6.503 4.301 ( -4.091 -5.337 9.885) 11.956 5.970 ( 1.932 5.840 2.695) 6.716 6.284 ( 3.813 1.711 -0.837) 4.262 6.472 ( 1.890 3.733 -1.475) 4.437 7.153 ( -11.019 -5.026 3.858) 12.711 7.190 ( -5.251 -5.052 -6.198) 9.566 8.318 ( 3.012 -1.621 -3.185) 4.674 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 4.010 2.387 -3.437) 5.796 2.454 ( 2.999 10.051 -1.862) 10.653 3.137 ( -1.503 2.297 0.929) 2.898 3.726 ( 10.027 8.827 -7.387) 15.265 4.183 ( -6.298 -5.737 12.840) 15.409 4.255 ( 1.913 0.209 -2.180) 2.908 6.042 ( -1.053 6.053 1.712) 6.378 6.385 ( 5.965 1.761 -1.637) 6.431 6.536 ( 2.026 3.032 -0.686) 3.711 6.892 ( -11.478 -5.131 0.619) 12.588 7.104 ( -2.168 -1.099 -2.210) 3.285 8.356 ( 3.651 -2.149 -0.990) 4.351 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 0.748 0.281 -0.622) 1.013 2.531 ( -3.338 6.860 -0.129) 7.630 3.134 ( -1.402 1.863 0.182) 2.339 3.925 ( 8.217 6.218 -12.130) 15.916 4.011 ( -10.292 -5.861 5.557) 13.083 4.288 ( 1.367 -0.882 6.112) 6.325 6.062 ( -3.552 5.371 0.366) 6.450 6.465 ( 2.231 -2.320 -0.015) 3.219 6.585 ( -0.880 1.688 -0.139) 1.909 6.732 ( -1.473 1.635 -0.838) 2.355 7.084 ( 0.253 0.793 0.889) 1.218 8.377 ( 2.113 -3.297 -0.199) 3.921 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -2.449 -1.996 2.310) 3.913 2.471 ( -9.581 2.663 1.961) 10.136 3.129 ( -1.515 2.381 -0.801) 2.934 3.773 ( -12.071 -5.522 1.910) 13.410 4.060 ( 7.342 2.898 -12.222) 14.549 4.298 ( -2.214 -0.988 6.381) 6.826 6.030 ( -5.259 3.437 -0.994) 6.360 6.398 ( -4.812 -4.107 1.131) 6.427 6.541 ( -3.050 -0.136 0.351) 3.074 6.879 ( 9.701 7.604 -2.078) 12.500 7.131 ( 3.198 1.521 3.636) 5.075 8.364 ( 0.748 -3.992 0.857) 4.151 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -7.252 -4.565 5.241) 10.046 2.279 ( -14.515 -1.489 2.818) 14.861 3.122 ( -2.307 3.295 -1.189) 4.195 3.523 ( -12.528 -5.167 3.822) 14.080 4.149 ( 0.361 -0.800 -4.110) 4.203 4.225 ( -1.270 -0.666 -5.099) 5.297 5.948 ( -6.365 0.938 -2.114) 6.772 6.289 ( -3.936 -2.133 0.173) 4.480 6.485 ( -3.806 0.173 1.336) 4.037 7.116 ( 9.355 6.751 -4.216) 12.283 7.243 ( 7.048 1.961 5.330) 9.051 8.349 ( 1.400 -2.989 3.444) 4.770 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -17.535 -7.816 5.355) 19.931 2.026 ( -14.210 -2.688 4.112) 15.035 3.104 ( -3.459 3.474 -1.369) 5.091 3.263 ( -15.260 -5.329 6.523) 17.430 3.925 ( -15.138 -6.506 -2.852) 16.722 4.326 ( 9.334 1.872 -8.144) 12.528 5.826 ( -7.170 -0.898 -2.625) 7.688 6.243 ( -0.004 0.057 -0.353) 0.358 6.435 ( -2.974 0.820 1.668) 3.507 7.245 ( 3.114 1.546 -2.856) 4.499 7.447 ( 11.208 3.838 1.286) 11.917 8.394 ( 4.225 -0.162 6.342) 7.622 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -20.751 -9.564 4.012) 23.199 1.735 ( -19.687 -1.575 4.722) 20.306 2.885 ( -25.636 -7.353 3.273) 26.870 3.070 ( -3.941 2.566 -0.968) 4.801 3.589 ( -14.287 -6.459 -2.639) 15.899 4.489 ( 9.955 1.769 -4.170) 10.937 5.683 ( -7.271 -1.586 -2.373) 7.811 6.285 ( 3.894 1.350 -0.475) 4.149 6.416 ( -0.853 1.001 1.370) 1.899 7.256 ( -0.680 -0.962 -1.386) 1.819 7.670 ( 11.162 3.180 -0.834) 11.636 8.514 ( 6.062 1.813 6.155) 8.827 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -21.973 -8.268 2.494) 23.609 1.372 ( -24.382 0.447 3.813) 24.682 2.272 ( -37.499 -7.931 -2.128) 38.387 3.026 ( -2.917 0.937 -0.700) 3.143 3.332 ( -10.813 -3.294 0.358) 11.309 4.656 ( 8.897 1.143 -1.216) 9.052 5.548 ( -6.196 -1.206 -1.476) 6.482 6.377 ( 5.073 1.155 -0.387) 5.217 6.431 ( 1.072 0.574 0.738) 1.423 7.216 ( -2.258 -1.006 0.634) 2.551 7.875 ( 10.544 1.977 -0.948) 10.770 8.642 ( 4.995 1.433 3.176) 6.090 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -21.895 -0.000 0.000) 21.895 0.951 ( -27.132 -0.000 0.000) 27.132 1.528 ( -43.750 -0.000 0.000) 43.750 2.991 ( -1.555 -0.000 0.000) 1.555 3.152 ( -8.847 -0.000 0.000) 8.847 4.790 ( 6.387 0.000 -0.000) 6.387 5.451 ( -4.296 -0.000 0.000) 4.296 6.456 ( 3.419 0.000 -0.000) 3.419 6.461 ( 1.869 0.000 -0.000) 1.869 7.179 ( -1.688 -0.000 0.000) 1.688 8.049 ( 8.910 0.000 -0.000) 8.910 8.718 ( 2.613 0.000 -0.000) 2.613 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 0.000 22.119 11.319) 24.847 1.092 ( -0.000 24.801 8.668) 26.272 1.753 ( -0.000 41.573 4.509) 41.817 2.966 ( -0.000 0.691 -2.502) 2.595 3.212 ( -0.000 10.378 -0.639) 10.397 4.731 ( 0.000 -7.795 -2.577) 8.210 5.435 ( -0.000 4.262 -3.203) 5.332 6.424 ( 0.000 -4.475 -0.470) 4.500 6.476 ( 0.000 -1.596 1.922) 2.499 7.075 ( -0.000 5.821 -15.450) 16.510 8.022 ( 0.000 -9.909 3.289) 10.441 8.729 ( 0.000 -2.436 0.668) 2.526 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -0.856 23.113 11.117) 25.662 1.427 ( 5.938 22.203 2.132) 23.082 2.273 ( 12.872 34.398 2.095) 36.787 3.005 ( 4.055 1.931 -1.452) 4.721 3.330 ( 2.326 11.035 -0.443) 11.286 4.628 ( -1.519 -9.082 -1.805) 9.384 5.513 ( 4.487 5.218 -2.101) 7.195 6.365 ( -1.212 -5.093 -0.596) 5.269 6.457 ( -1.113 -0.872 1.730) 2.234 7.112 ( 3.187 3.827 -10.677) 11.781 7.902 ( -3.430 -10.520 3.396) 11.574 8.662 ( -4.647 -3.188 -1.258) 5.774 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 5.282 21.703 7.409) 23.533 1.721 ( 6.111 17.882 -1.773) 18.981 2.762 ( 12.028 22.244 -5.663) 25.914 3.111 ( 3.283 5.339 0.081) 6.268 3.536 ( 9.318 12.182 3.236) 15.675 4.505 ( -1.975 -9.564 1.058) 9.823 5.659 ( 6.323 6.275 -0.034) 8.908 6.289 ( -1.841 -4.199 -0.736) 4.643 6.444 ( -0.927 1.284 0.885) 1.814 7.175 ( 4.218 0.704 -6.395) 7.693 7.733 ( -5.827 -10.202 3.449) 12.244 8.514 ( -7.476 -3.684 -4.157) 9.313 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 7.110 16.679 1.431) 18.188 1.982 ( 7.309 15.463 -1.500) 17.169 3.094 ( 10.613 13.463 -7.587) 18.747 3.189 ( -0.360 6.394 -0.806) 6.454 3.862 ( 11.763 11.764 4.149) 17.146 4.391 ( -1.622 -9.070 4.882) 10.428 5.833 ( 5.960 7.039 1.988) 9.435 6.234 ( -0.478 -1.749 -1.221) 2.186 6.459 ( -0.386 3.923 -0.238) 3.949 7.208 ( 2.295 -2.526 -4.669) 5.783 7.534 ( -8.051 -9.233 3.485) 12.736 8.344 ( -5.794 -3.413 -5.415) 8.634 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 6.067 8.715 -3.232) 11.100 2.267 ( 7.198 16.934 0.215) 18.402 3.208 ( -2.043 5.103 -1.059) 5.598 3.382 ( 10.627 11.209 -4.247) 16.019 4.112 ( 6.236 5.375 0.602) 8.254 4.311 ( -1.052 -6.704 7.531) 10.137 5.995 ( 4.030 7.129 3.278) 8.821 6.241 ( 2.387 1.027 -2.048) 3.309 6.501 ( -0.057 5.415 -1.044) 5.515 7.170 ( -0.862 -4.180 -5.470) 6.938 7.304 ( -10.836 -7.084 3.202) 13.336 8.250 ( 0.171 -3.131 -3.441) 4.655 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 4.403 4.723 -2.965) 7.106 2.521 ( 3.714 15.766 -0.536) 16.206 3.208 ( -2.827 3.877 0.307) 4.809 3.644 ( 9.243 10.103 -3.861) 14.227 4.192 ( 2.697 -3.549 6.723) 8.067 4.255 ( -3.082 -2.316 0.153) 3.858 6.121 ( 1.371 7.326 2.861) 7.983 6.311 ( 4.293 2.277 -2.316) 5.383 6.547 ( 0.200 4.203 -1.033) 4.333 7.028 ( -9.637 -5.390 -2.831) 11.399 7.131 ( -3.599 -1.097 0.344) 3.778 8.252 ( 4.082 -3.939 -1.124) 5.783 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 1.899 2.145 -1.623) 3.293 2.678 ( -2.075 13.332 -0.307) 13.496 3.194 ( -2.762 2.969 0.754) 4.124 3.842 ( 5.949 7.258 -7.268) 11.870 4.114 ( -7.691 -5.440 -0.125) 9.421 4.252 ( 4.105 -1.875 7.822) 9.031 6.190 ( -2.684 7.339 1.132) 7.895 6.396 ( 3.997 0.733 -1.171) 4.229 6.584 ( 1.477 1.140 -0.283) 1.887 6.832 ( -8.310 0.547 -1.128) 8.404 7.100 ( -0.795 1.041 0.293) 1.342 8.278 ( 4.200 -5.325 -0.373) 6.792 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -0.857 -0.159 -0.020) 0.872 2.694 ( -9.253 8.760 1.356) 12.814 3.187 ( -1.893 3.667 0.011) 4.127 3.896 ( -9.242 -4.877 -7.096) 12.632 3.955 ( 4.196 1.953 -5.175) 6.942 4.330 ( 1.548 0.031 9.714) 9.837 6.173 ( -6.391 4.856 -0.595) 8.048 6.417 ( -1.005 -2.603 0.915) 2.936 6.590 ( -1.538 0.353 0.324) 1.611 6.827 ( 3.505 7.760 -1.576) 8.660 7.118 ( 1.046 1.463 2.072) 2.744 8.282 ( 3.088 -6.243 -0.045) 6.965 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -3.918 -2.219 1.745) 4.829 2.548 ( -15.262 3.178 2.419) 15.775 3.200 ( -1.962 5.464 -0.402) 5.820 3.661 ( -9.821 -5.870 -2.684) 11.752 4.039 ( 6.128 1.175 -6.810) 9.236 4.322 ( -5.836 -0.341 5.285) 7.881 6.079 ( -7.774 1.623 -1.498) 8.082 6.341 ( -4.309 -2.213 0.807) 4.911 6.566 ( -3.609 2.599 0.998) 4.558 7.016 ( 9.068 7.645 -2.985) 12.230 7.176 ( 3.782 0.429 3.866) 5.425 8.275 ( 3.255 -5.385 1.254) 6.416 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -9.313 -3.675 3.350) 10.558 2.281 ( -17.999 -0.065 1.657) 18.075 3.211 ( -3.716 6.090 -0.597) 7.159 3.441 ( -9.976 -5.243 1.487) 11.368 4.119 ( -6.833 -1.232 1.319) 7.067 4.176 ( 0.631 -0.555 -6.184) 6.241 5.947 ( -8.125 0.104 -1.658) 8.293 6.264 ( -2.823 -0.752 0.231) 2.931 6.521 ( -4.809 2.319 1.082) 5.447 7.192 ( 4.766 3.518 -3.910) 7.098 7.299 ( 9.701 0.945 3.419) 10.329 8.314 ( 5.436 -2.422 3.094) 6.707 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -20.662 -3.482 2.385) 21.089 2.015 ( -14.536 -0.503 1.282) 14.601 3.171 ( -8.168 3.593 -2.187) 9.187 3.217 ( -12.884 -2.988 4.473) 13.962 3.808 ( -18.921 -3.301 -1.352) 19.254 4.312 ( 10.548 0.466 -3.077) 10.998 5.802 ( -8.430 -0.339 -1.138) 8.513 6.247 ( 1.164 0.203 -0.040) 1.183 6.467 ( -3.588 1.109 0.677) 3.816 7.243 ( 1.155 0.031 -1.387) 1.805 7.500 ( 11.420 1.259 0.263) 11.493 8.424 ( 7.343 0.062 2.847) 7.876 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -23.302 -0.000 0.000) 23.302 1.741 ( -18.807 -0.000 0.000) 18.807 2.818 ( -29.830 -0.000 0.000) 29.830 3.102 ( -5.345 -0.000 0.000) 5.345 3.511 ( -13.408 -0.000 0.000) 13.408 4.492 ( 10.736 0.000 -0.000) 10.736 5.660 ( -7.859 -0.000 0.000) 7.859 6.298 ( 4.405 0.000 -0.000) 4.405 6.434 ( -1.083 -0.000 0.000) 1.083 7.239 ( -0.974 -0.000 0.000) 0.974 7.698 ( 11.330 0.000 -0.000) 11.330 8.553 ( 6.904 0.000 -0.000) 6.904 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -0.000 20.140 7.600) 21.526 1.599 ( -0.000 22.399 6.181) 23.236 2.528 ( -0.000 35.588 1.268) 35.610 2.967 ( -0.000 1.164 -2.768) 3.003 3.429 ( -0.000 12.505 -0.189) 12.506 4.538 ( 0.000 -10.429 -1.917) 10.604 5.522 ( -0.000 6.672 -2.657) 7.182 6.322 ( 0.000 -5.179 -0.283) 5.187 6.460 ( 0.000 -1.104 1.698) 2.026 7.089 ( -0.000 3.225 -10.073) 10.576 7.833 ( 0.000 -11.285 2.988) 11.674 8.668 ( 0.000 -3.862 -0.553) 3.901 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 1.525 20.790 7.620) 22.195 1.823 ( 1.001 17.494 1.511) 17.588 2.845 ( 2.150 22.145 -5.206) 22.850 3.061 ( 7.867 6.078 -0.988) 9.990 3.582 ( 2.826 15.434 2.391) 15.872 4.425 ( -0.494 -10.834 0.276) 10.849 5.627 ( 4.706 7.590 -1.191) 9.010 6.269 ( -0.834 -3.978 -0.270) 4.074 6.458 ( 0.257 0.100 1.145) 1.177 7.103 ( 2.288 0.612 -7.800) 8.152 7.710 ( -2.670 -10.934 2.667) 11.567 8.580 ( -5.220 -4.125 -1.853) 6.906 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -0.210 14.633 1.359) 14.698 2.028 ( 6.344 18.127 3.335) 19.493 3.049 ( 6.943 11.516 -5.760) 14.628 3.223 ( 3.051 6.607 -3.878) 8.246 3.847 ( 7.276 16.904 3.716) 18.775 4.323 ( -0.122 -9.891 3.590) 10.523 5.803 ( 6.673 8.183 1.094) 10.615 6.223 ( -0.787 -1.655 -1.006) 2.091 6.485 ( 1.248 2.426 0.229) 2.738 7.117 ( 2.865 -2.851 -6.072) 7.294 7.556 ( -4.584 -9.736 2.731) 11.102 8.418 ( -7.874 -3.726 -3.216) 9.286 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 2.089 8.910 -1.753) 9.318 2.335 ( 6.553 19.065 3.710) 20.498 3.261 ( 3.679 7.141 -4.430) 9.174 3.307 ( 6.578 6.838 -1.666) 9.633 4.081 ( 4.046 6.312 -0.437) 7.510 4.273 ( 1.099 -3.499 6.045) 7.070 5.995 ( 5.630 7.699 3.351) 10.109 6.215 ( 1.007 1.194 -2.444) 2.900 6.543 ( 1.311 4.694 -0.862) 4.949 7.098 ( 1.689 -5.176 -5.668) 7.860 7.388 ( -6.435 -7.644 2.848) 10.390 8.255 ( -5.587 -3.126 -2.805) 6.990 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 2.974 6.055 -1.603) 6.933 2.621 ( 4.628 17.979 2.232) 18.699 3.291 ( -2.023 4.364 -1.744) 5.117 3.561 ( 11.342 8.113 0.235) 13.947 4.116 ( 2.485 -5.754 3.245) 7.058 4.291 ( -2.277 2.275 -0.934) 3.351 6.148 ( 3.526 5.822 3.496) 7.652 6.269 ( 3.339 3.655 -2.619) 5.601 6.594 ( -0.608 4.176 -1.548) 4.495 7.048 ( -0.333 -3.614 -5.245) 6.379 7.218 ( -7.256 -3.945 2.375) 8.593 8.169 ( -0.122 -3.788 -0.938) 3.904 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 1.943 3.717 -1.045) 4.323 2.838 ( 0.599 16.224 1.115) 16.273 3.280 ( -3.312 3.290 0.280) 4.677 3.799 ( 7.023 7.110 -1.430) 10.096 4.137 ( 4.742 -6.165 8.678) 11.653 4.201 ( -5.854 -1.393 -6.851) 9.118 6.254 ( 2.408 4.793 0.336) 5.374 6.359 ( 2.848 3.574 0.135) 4.572 6.584 ( -1.706 -0.535 -1.241) 2.177 6.976 ( -6.080 2.681 -2.591) 7.133 7.127 ( -1.635 0.103 0.785) 1.816 8.154 ( 3.250 -5.650 0.010) 6.517 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -0.204 1.510 -0.503) 1.604 2.938 ( -6.601 12.334 1.251) 14.045 3.259 ( -2.415 3.283 0.878) 4.169 3.909 ( 2.277 3.207 -3.946) 5.571 3.979 ( -9.620 -5.903 -6.857) 13.207 4.281 ( 7.835 -0.638 8.836) 11.827 6.299 ( -2.973 3.426 -1.352) 4.733 6.406 ( 0.013 0.235 0.796) 0.831 6.569 ( 2.756 -1.541 0.761) 3.248 6.925 ( -4.817 8.607 -1.377) 9.959 7.131 ( -0.013 1.413 0.819) 1.633 8.154 ( 3.879 -6.956 -0.098) 7.965 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -2.580 -0.255 0.148) 2.597 2.848 ( -14.281 5.339 1.789) 15.351 3.283 ( -0.891 6.054 0.744) 6.164 3.735 ( -9.010 -6.756 -6.366) 12.937 3.958 ( 3.073 1.010 -3.062) 4.455 4.390 ( 1.057 0.769 6.047) 6.187 6.214 ( -7.492 0.346 -1.154) 7.589 6.383 ( -2.288 -1.218 0.496) 2.639 6.625 ( 1.478 2.010 1.419) 2.870 6.982 ( 1.962 8.746 -1.920) 9.167 7.148 ( 0.964 -0.096 1.949) 2.177 8.155 ( 4.229 -6.007 0.083) 7.347 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -5.165 -0.975 0.662) 5.298 2.603 ( -18.460 1.160 1.091) 18.528 3.328 ( -2.045 6.829 1.077) 7.210 3.517 ( -7.569 -6.604 -2.940) 10.466 4.027 ( 5.574 0.391 -2.126) 5.979 4.343 ( -8.848 0.028 2.088) 9.092 6.079 ( -7.975 -0.206 -0.745) 8.012 6.318 ( -4.033 -0.615 0.269) 4.089 6.629 ( -4.008 2.177 0.757) 4.624 7.126 ( 6.708 5.682 -3.833) 9.590 7.183 ( 4.036 -2.390 3.742) 6.001 8.196 ( 5.831 -2.709 0.721) 6.470 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -10.382 -0.000 0.000) 10.382 2.286 ( -18.989 -0.000 0.000) 18.989 3.333 ( -6.455 -0.000 0.000) 6.455 3.333 ( -6.049 -0.000 0.000) 6.049 4.116 ( -17.692 -0.000 0.000) 17.692 4.145 ( 8.674 0.000 -0.000) 8.674 5.941 ( -8.310 -0.000 0.000) 8.310 6.258 ( -2.404 -0.000 0.000) 2.404 6.554 ( -5.537 -0.000 0.000) 5.537 7.211 ( 2.441 0.000 -0.000) 2.441 7.319 ( 10.790 0.000 -0.000) 10.790 8.299 ( 7.444 0.000 -0.000) 7.444 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -0.000 16.394 3.057) 16.677 2.008 ( -0.000 16.335 2.359) 16.505 2.982 ( -0.000 1.920 -1.823) 2.647 3.067 ( -0.000 19.904 -7.044) 21.114 3.736 ( -0.000 19.224 4.309) 19.701 4.326 ( 0.000 -10.685 1.992) 10.869 5.659 ( -0.000 8.484 -0.756) 8.518 6.244 ( 0.000 -2.465 0.329) 2.487 6.455 ( 0.000 -0.047 0.594) 0.596 7.061 ( -0.000 -0.967 -7.184) 7.249 7.633 ( 0.000 -10.585 1.841) 10.744 8.579 ( 0.000 -4.425 -1.585) 4.701 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 0.969 11.264 -1.644) 11.425 2.158 ( 2.000 15.237 3.277) 15.713 3.028 ( 3.739 4.512 -1.762) 6.119 3.220 ( 2.977 9.074 -9.006) 13.126 3.964 ( 1.902 18.731 4.194) 19.289 4.246 ( 0.312 -7.257 5.435) 9.072 5.787 ( 4.920 8.808 0.819) 10.122 6.225 ( -0.698 -0.163 -0.040) 0.718 6.473 ( 1.681 1.005 -0.091) 1.961 7.032 ( 1.335 -3.608 -5.993) 7.122 7.523 ( -2.013 -9.413 1.413) 9.729 8.487 ( -5.090 -4.028 -2.151) 6.838 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 0.251 6.686 -2.970) 7.321 2.411 ( 7.244 15.980 3.747) 17.941 3.179 ( 9.001 4.477 -0.225) 10.055 3.297 ( 1.859 4.724 -7.579) 9.122 4.075 ( 0.174 -1.895 0.949) 2.127 4.296 ( 1.067 10.208 6.470) 12.132 5.979 ( 6.568 8.326 2.808) 10.970 6.221 ( -0.499 2.256 -1.592) 2.805 6.533 ( 3.449 2.561 -0.747) 4.360 6.995 ( 1.832 -5.945 -5.086) 8.035 7.399 ( -3.343 -7.675 1.330) 8.477 8.336 ( -7.399 -2.946 -2.094) 8.235 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 2.075 5.154 -1.665) 5.800 2.702 ( 7.261 15.723 3.204) 17.612 3.335 ( 0.622 3.736 -3.667) 5.272 3.411 ( 13.094 3.497 1.202) 13.606 4.035 ( 0.558 -6.322 2.010) 6.657 4.389 ( -3.624 8.317 0.298) 9.078 6.154 ( 3.943 5.973 3.891) 8.146 6.254 ( 1.882 4.363 -2.797) 5.513 6.613 ( 2.182 2.875 -1.552) 3.929 6.962 ( 3.296 -5.097 -4.152) 7.354 7.275 ( -4.234 -5.202 1.093) 6.796 8.191 ( -5.839 -2.290 -0.888) 6.335 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 2.130 3.740 -0.612) 4.347 2.959 ( 4.340 14.823 2.346) 15.623 3.353 ( -1.492 2.831 -1.241) 3.433 3.690 ( 13.910 4.077 3.092) 14.821 4.004 ( 3.124 -6.712 2.667) 7.869 4.322 ( -9.422 2.197 -4.721) 10.765 6.251 ( 2.175 4.397 -0.621) 4.944 6.343 ( 3.480 3.355 1.421) 5.039 6.613 ( -2.630 -1.040 -1.764) 3.334 7.006 ( 4.571 1.649 -2.953) 5.686 7.173 ( -3.880 -1.732 0.759) 4.316 8.096 ( -2.232 -3.415 0.298) 4.091 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 0.576 2.002 -0.223) 2.095 3.134 ( -0.872 12.598 1.436) 12.710 3.330 ( -2.985 1.123 0.769) 3.281 3.886 ( 3.034 1.819 0.224) 3.545 4.078 ( 3.013 -2.577 1.464) 4.227 4.128 ( -2.245 -2.468 -2.992) 4.482 6.320 ( 1.798 3.172 -2.607) 4.482 6.426 ( 2.119 1.729 3.050) 4.096 6.529 ( -2.682 -3.268 -0.775) 4.298 7.071 ( -2.146 6.526 -1.652) 7.065 7.137 ( 0.610 0.419 0.435) 0.858 8.046 ( 0.972 -5.047 0.366) 5.153 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -1.476 0.521 -0.074) 1.567 3.120 ( -11.294 4.593 0.903) 12.226 3.336 ( 0.934 3.444 1.126) 3.741 3.829 ( -10.548 -4.599 -3.463) 12.016 3.932 ( -0.319 1.055 -1.904) 2.200 4.317 ( 10.009 0.104 3.342) 10.552 6.321 ( -4.425 0.396 -1.202) 4.602 6.407 ( -2.337 -0.251 0.371) 2.380 6.561 ( 6.157 -0.146 1.023) 6.243 7.082 ( -2.762 6.762 -0.984) 7.370 7.147 ( -0.658 -0.780 0.714) 1.246 8.038 ( 3.358 -3.915 0.007) 5.158 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -3.306 -0.000 0.000) 3.306 2.906 ( -16.116 -0.000 0.000) 16.116 3.378 ( 0.668 0.000 -0.000) 0.668 3.617 ( -9.839 -0.000 0.000) 9.839 3.958 ( 2.671 0.000 -0.000) 2.671 4.418 ( 0.821 0.000 -0.000) 0.821 6.208 ( -7.647 -0.000 0.000) 7.647 6.374 ( -2.555 -0.000 0.000) 2.555 6.653 ( 3.077 0.000 -0.000) 3.077 7.095 ( -0.239 -0.000 0.000) 0.239 7.131 ( 1.267 0.000 -0.000) 1.267 8.089 ( 5.013 0.000 -0.000) 5.013 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -0.000 11.046 -1.095) 11.101 2.232 ( -0.000 6.635 -3.039) 7.298 3.023 ( -0.000 2.934 0.026) 2.934 3.247 ( -0.000 6.832 -10.003) 12.114 4.080 ( 0.000 0.760 2.514) 2.626 4.273 ( 0.000 12.667 9.650) 15.924 5.831 ( -0.000 8.623 1.444) 8.743 6.242 ( -0.000 2.128 0.407) 2.167 6.463 ( -0.000 0.862 -0.907) 1.251 6.963 ( -0.000 -5.161 -5.018) 7.199 7.456 ( 0.000 -8.352 0.512) 8.367 8.485 ( -0.000 -3.945 -2.068) 4.455 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -1.946 4.085 -4.292) 6.237 2.392 ( 9.321 8.068 -1.308) 12.397 3.094 ( 4.717 2.970 0.726) 5.621 3.285 ( 1.524 4.004 -7.795) 8.895 4.047 ( -0.592 -5.307 3.143) 6.196 4.457 ( -0.884 16.683 7.352) 18.252 5.963 ( 5.121 7.857 2.475) 9.700 6.264 ( -1.108 4.189 -0.550) 4.368 6.492 ( 2.719 1.337 -1.180) 3.252 6.898 ( 0.776 -6.766 -3.953) 7.875 7.370 ( -1.494 -6.831 0.128) 6.994 8.405 ( -4.437 -3.044 -1.909) 5.710 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 1.616 2.858 -2.737) 4.274 2.659 ( 12.887 8.336 -0.025) 15.349 3.238 ( 9.379 1.748 1.614) 9.676 3.328 ( 2.093 2.640 -4.926) 5.968 3.994 ( -0.926 -4.616 2.530) 5.345 4.566 ( -4.879 11.164 3.108) 12.573 6.142 ( 6.003 6.131 3.393) 9.227 6.285 ( -1.033 5.223 -2.273) 5.789 6.570 ( 4.629 1.767 -1.019) 5.058 6.841 ( 2.296 -7.033 -2.983) 7.977 7.279 ( -2.317 -4.912 -0.006) 5.431 8.281 ( -6.555 -1.705 -1.084) 6.859 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 2.945 2.412 -0.886) 3.909 2.958 ( 11.465 8.958 0.982) 14.582 3.370 ( 1.355 1.640 -2.023) 2.936 3.457 ( 14.947 0.435 2.259) 15.123 3.945 ( -0.757 -3.638 1.409) 3.974 4.518 ( -10.352 4.820 -0.926) 11.457 6.268 ( 1.821 4.554 0.621) 4.943 6.327 ( 1.692 3.015 0.106) 3.459 6.625 ( 0.028 -0.390 -1.453) 1.504 6.871 ( 8.833 -2.363 -1.599) 9.283 7.204 ( -2.257 -2.344 -0.120) 3.256 8.156 ( -6.420 -1.133 -0.052) 6.519 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 1.952 1.257 -0.142) 2.326 3.191 ( 6.365 7.022 0.822) 9.513 3.378 ( -1.562 0.174 -0.182) 1.582 3.758 ( 18.301 1.253 2.284) 18.485 3.912 ( 0.679 -3.185 0.314) 3.271 4.323 ( -14.507 0.566 -2.472) 14.727 6.322 ( 0.712 3.588 -2.542) 4.455 6.383 ( 3.322 -0.740 2.987) 4.528 6.573 ( -3.894 -1.201 -0.830) 4.159 7.032 ( 9.164 1.185 -0.745) 9.270 7.161 ( -1.629 0.103 -0.154) 1.640 8.049 ( -4.635 -1.466 0.303) 4.871 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 0.138 0.000 -0.000) 0.138 3.304 ( -6.977 -0.000 0.000) 6.977 3.313 ( 3.554 0.000 -0.000) 3.554 3.889 ( -0.508 -0.000 0.000) 0.508 4.068 ( -14.305 -0.000 0.000) 14.305 4.087 ( 17.300 0.000 -0.000) 17.300 6.345 ( 0.489 0.000 -0.000) 0.489 6.458 ( 5.488 0.000 -0.000) 5.488 6.483 ( -5.587 -0.000 0.000) 5.587 7.142 ( -1.193 -0.000 0.000) 1.193 7.142 ( 2.600 0.000 -0.000) 2.600 7.992 ( -0.609 -0.000 0.000) 0.609 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -0.000 -1.323 -6.252) 6.391 2.323 ( -0.000 5.672 -2.722) 6.292 3.088 ( -0.000 3.055 1.094) 3.245 3.283 ( -0.000 2.590 -5.588) 6.159 4.016 ( 0.000 -4.341 3.283) 5.443 4.649 ( 0.000 14.900 6.804) 16.381 5.994 ( 0.000 6.494 2.561) 6.981 6.326 ( -0.000 6.202 -0.201) 6.206 6.474 ( -0.000 1.034 -1.865) 2.132 6.811 ( 0.000 -7.761 -2.613) 8.189 7.322 ( 0.000 -5.421 -0.407) 5.437 8.408 ( -0.000 -2.672 -1.733) 3.185 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 0.559 -0.299 -3.817) 3.869 2.475 ( 12.139 2.705 -2.505) 12.687 3.153 ( 4.131 2.248 1.168) 4.845 3.302 ( 1.570 1.420 -3.297) 3.918 3.982 ( -0.837 -2.842 2.267) 3.730 4.758 ( -3.730 9.810 4.137) 11.281 6.103 ( 5.218 4.657 2.422) 7.401 6.366 ( -2.317 6.354 -1.420) 6.911 6.511 ( 3.480 1.525 -0.838) 3.891 6.734 ( 0.987 -8.040 -1.685) 8.274 7.266 ( -1.168 -3.666 -0.441) 3.872 8.350 ( -3.658 -1.586 -1.116) 4.140 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 3.543 0.638 -1.099) 3.764 2.749 ( 17.693 2.056 -0.856) 17.832 3.275 ( 8.233 0.897 1.155) 8.362 3.339 ( 2.448 0.646 -1.542) 2.965 3.947 ( -1.468 -1.448 1.010) 2.296 4.729 ( -8.741 4.034 1.068) 9.686 6.242 ( 5.509 2.314 1.581) 6.181 6.369 ( -2.391 3.608 -1.419) 4.555 6.596 ( 3.382 1.665 -0.129) 3.772 6.703 ( 5.384 -5.230 -0.989) 7.571 7.214 ( -1.591 -1.655 -0.245) 2.309 8.256 ( -5.912 -0.522 -0.319) 5.943 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 3.409 0.000 -0.000) 3.409 3.049 ( 14.702 0.000 -0.000) 14.702 3.377 ( 1.543 0.000 -0.000) 1.543 3.467 ( 14.764 0.000 -0.000) 14.764 3.915 ( -1.503 -0.000 0.000) 1.503 4.562 ( -13.027 -0.000 0.000) 13.027 6.327 ( 3.311 0.000 -0.000) 3.311 6.349 ( -1.492 -0.000 0.000) 1.492 6.611 ( -1.243 -0.000 0.000) 1.243 6.845 ( 12.042 0.000 -0.000) 12.042 7.182 ( -1.308 -0.000 0.000) 1.308 8.145 ( -6.728 -0.000 0.000) 6.728 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -0.000 -1.756 -3.108) 3.570 2.379 ( -0.000 1.657 -1.301) 2.107 3.139 ( 0.000 1.308 0.572) 1.427 3.290 ( -0.000 0.575 -1.527) 1.632 3.975 ( 0.000 -1.355 1.229) 1.829 4.878 ( 0.000 5.383 2.532) 5.949 6.096 ( 0.000 2.432 1.381) 2.797 6.467 ( -0.000 8.209 -0.478) 8.223 6.479 ( -0.000 0.434 -1.076) 1.160 6.641 ( 0.000 -8.606 -0.484) 8.619 7.247 ( 0.000 -1.912 -0.341) 1.942 8.365 ( -0.000 -0.939 -0.672) 1.155 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 2.665 0.000 -0.000) 2.665 2.491 ( 12.127 0.000 -0.000) 12.127 3.180 ( 4.065 0.000 -0.000) 4.065 3.304 ( 1.599 0.000 -0.000) 1.599 3.963 ( -0.910 -0.000 0.000) 0.910 4.868 ( -4.768 -0.000 0.000) 4.768 6.158 ( 5.248 0.000 -0.000) 5.248 6.438 ( -3.310 -0.000 0.000) 3.310 6.570 ( 2.872 0.000 -0.000) 2.872 6.590 ( 2.417 0.000 -0.000) 2.417 7.228 ( -1.038 -0.000 0.000) 1.038 8.331 ( -3.305 -0.000 0.000) 3.305 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.234 ( 0.000 -0.000 25.260) 25.260 0.234 ( 0.000 -0.000 25.260) 25.260 0.388 ( 0.000 -0.000 42.138) 42.138 2.964 ( -0.000 0.000 -1.212) 1.212 2.964 ( -0.000 0.000 -1.212) 1.212 5.374 ( -0.000 0.000 -1.172) 1.172 5.374 ( -0.000 0.000 -1.172) 1.172 5.402 ( -0.000 0.000 -5.887) 5.887 6.505 ( 0.000 -0.000 0.792) 0.792 6.505 ( 0.000 -0.000 0.792) 0.792 8.232 ( 0.000 -0.000 2.671) 2.671 8.824 ( -0.000 0.000 -0.735) 0.735 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 16.181 9.342 8.573) 20.558 0.528 ( 15.336 8.854 14.175) 22.683 1.080 ( 34.769 20.074 19.744) 44.740 2.973 ( 0.820 0.473 -0.922) 1.322 3.022 ( 5.263 3.038 -2.608) 6.613 4.868 ( -4.833 -2.790 -0.097) 5.582 5.410 ( 2.854 1.648 -0.192) 3.301 6.485 ( -1.621 -0.936 0.325) 1.900 6.495 ( -0.922 -0.532 0.486) 1.170 6.846 ( 22.504 12.993 -41.458) 48.929 8.184 ( -5.119 -2.956 3.834) 7.046 8.745 ( -3.556 -2.053 0.786) 4.181 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 18.953 10.943 1.919) 21.969 0.941 ( 18.437 10.645 3.845) 21.634 1.882 ( 32.009 18.480 8.905) 38.018 2.995 ( 1.257 0.726 -0.567) 1.558 3.188 ( 10.059 5.808 -0.930) 11.652 4.759 ( -5.041 -2.911 -1.492) 6.009 5.498 ( 4.852 2.801 0.716) 5.648 6.440 ( -2.164 -1.250 -0.199) 2.507 6.446 ( -3.660 -2.113 1.027) 4.349 7.065 ( 9.202 5.313 -16.408) 19.548 8.041 ( -8.469 -4.890 4.636) 10.823 8.646 ( -5.256 -3.035 -3.878) 7.202 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 18.844 10.880 -0.754) 21.772 1.355 ( 18.105 10.453 -2.119) 21.013 2.527 ( 24.300 14.030 -2.070) 28.135 3.025 ( 1.511 0.873 -0.137) 1.751 3.467 ( 14.271 8.239 4.267) 17.022 4.638 ( -5.591 -3.228 1.168) 6.561 5.627 ( 6.163 3.558 1.575) 7.288 6.351 ( -4.658 -2.689 0.858) 5.446 6.396 ( -1.461 -0.844 -0.842) 1.886 7.201 ( 5.900 3.406 -6.591) 9.479 7.844 ( -10.345 -5.973 4.711) 12.840 8.492 ( -6.478 -3.740 -7.862) 10.851 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 16.996 9.812 -2.183) 19.746 1.723 ( 15.631 9.024 -5.869) 18.979 2.964 ( 16.973 9.799 -7.956) 21.152 3.059 ( 1.501 0.866 0.363) 1.770 3.817 ( 14.289 8.250 6.583) 17.764 4.523 ( -5.543 -3.200 5.516) 8.450 5.773 ( 6.071 3.505 2.388) 7.406 6.268 ( -2.476 -1.430 0.707) 2.945 6.379 ( 0.489 0.282 -1.578) 1.676 7.264 ( 0.635 0.367 -3.200) 3.283 7.607 ( -12.178 -7.031 3.524) 14.496 8.347 ( -3.326 -1.920 -8.511) 9.337 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 11.515 6.648 -7.071) 15.059 2.048 ( 13.660 7.887 -2.840) 16.027 3.091 ( 1.139 0.658 0.836) 1.559 3.276 ( 13.773 7.952 -7.718) 17.677 4.095 ( 8.688 5.016 3.606) 10.661 4.424 ( -5.523 -3.189 9.634) 11.553 5.899 ( 4.299 2.482 2.802) 5.701 6.259 ( 1.619 0.935 0.150) 1.876 6.412 ( 2.820 1.628 -2.023) 3.833 7.215 ( -3.612 -2.085 -2.561) 4.894 7.320 ( -13.686 -7.902 0.347) 15.807 8.310 ( 1.559 0.900 -4.858) 5.180 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 6.907 3.988 -5.675) 9.788 2.296 ( 9.202 5.313 -2.693) 10.962 3.113 ( 0.465 0.269 1.057) 1.186 3.542 ( 12.173 7.028 -8.216) 16.281 4.231 ( 3.159 1.824 0.050) 3.648 4.322 ( -6.590 -3.805 12.806) 14.896 5.977 ( 2.046 1.181 2.379) 3.353 6.334 ( 4.978 2.874 -0.941) 5.824 6.481 ( 3.503 2.023 -1.725) 4.398 7.017 ( -12.763 -7.369 0.490) 14.745 7.126 ( -3.143 -1.815 -2.950) 4.677 8.356 ( 2.768 1.598 -1.848) 3.692 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 3.130 1.807 -2.834) 4.593 2.437 ( 3.876 2.238 -1.618) 4.760 3.118 ( -0.234 -0.135 0.726) 0.775 3.763 ( 10.098 5.830 -12.076) 16.786 4.140 ( -9.153 -5.284 2.585) 10.880 4.318 ( 0.699 0.404 10.738) 10.769 6.008 ( 0.217 0.125 1.421) 1.443 6.460 ( 5.911 3.413 -1.062) 6.908 6.540 ( 1.784 1.030 -0.981) 2.282 6.773 ( -8.419 -4.861 -0.450) 9.732 7.080 ( -0.402 -0.232 0.318) 0.563 8.401 ( 1.337 0.772 -0.748) 1.715 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 0.062 0.036 0.556) 0.561 2.455 ( -2.116 -1.222 0.247) 2.456 3.109 ( -0.611 -0.353 -0.208) 0.735 3.865 ( -4.105 -2.370 -10.613) 11.623 3.973 ( 1.059 0.611 -1.482) 1.921 4.344 ( -1.644 -0.949 9.400) 9.589 5.997 ( -1.436 -0.829 0.262) 1.679 6.480 ( -5.407 -3.122 0.898) 6.308 6.548 ( -0.905 -0.523 -0.122) 1.052 6.749 ( 7.803 4.505 -2.531) 9.359 7.111 ( 2.604 1.504 3.210) 4.398 8.408 ( -0.438 -0.253 0.031) 0.506 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -4.218 -2.435 4.141) 6.393 2.344 ( -8.136 -4.697 2.192) 9.647 3.091 ( -0.767 -0.443 -1.180) 1.475 3.643 ( -10.849 -6.264 0.800) 12.553 4.079 ( 6.969 4.023 -10.287) 13.060 4.279 ( -6.428 -3.711 4.247) 8.551 5.945 ( -3.149 -1.818 -1.045) 3.783 6.343 ( -5.735 -3.311 -0.051) 6.622 6.505 ( -2.708 -1.563 0.809) 3.230 6.972 ( 11.217 6.476 -3.246) 13.353 7.210 ( 5.093 2.941 4.774) 7.575 8.394 ( -0.685 -0.395 2.091) 2.236 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -13.355 -7.711 3.665) 15.850 2.142 ( -10.547 -6.089 6.768) 13.933 3.067 ( -0.950 -0.548 -1.673) 2.000 3.402 ( -11.982 -6.918 4.887) 14.673 4.053 ( -12.514 -7.225 -0.356) 14.454 4.231 ( 7.960 4.596 -10.208) 13.737 5.850 ( -4.866 -2.810 -2.311) 6.076 6.250 ( -2.073 -1.197 -0.646) 2.479 6.447 ( -2.486 -1.435 1.656) 3.314 7.173 ( 6.976 4.028 -5.029) 9.496 7.372 ( 8.244 4.759 3.890) 10.283 8.411 ( 1.515 0.875 5.406) 5.682 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -17.267 -9.969 4.852) 20.520 1.858 ( -16.636 -9.605 7.768) 20.721 3.039 ( -1.078 -0.622 -1.768) 2.162 3.085 ( -19.370 -11.183 4.680) 22.851 3.726 ( -14.574 -8.414 -3.004) 17.095 4.402 ( 9.222 5.324 -6.632) 12.545 5.719 ( -5.886 -3.398 -3.103) 7.471 6.253 ( 2.354 1.359 -0.809) 2.836 6.415 ( -0.776 -0.448 2.063) 2.250 7.247 ( 1.399 0.808 -4.704) 4.974 7.584 ( 9.660 5.577 0.960) 11.196 8.498 ( 4.261 2.460 7.054) 8.601 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -19.615 -11.325 6.267) 23.500 1.463 ( -20.476 -11.822 8.044) 24.975 2.525 ( -30.819 -17.794 -1.015) 35.602 3.010 ( -1.018 -0.588 -1.704) 2.070 3.433 ( -11.159 -6.442 -0.264) 12.888 4.590 ( 8.585 4.957 -3.399) 10.480 5.579 ( -5.500 -3.175 -3.252) 7.135 6.334 ( 4.608 2.660 -0.880) 5.393 6.424 ( 0.888 0.512 1.988) 2.236 7.229 ( -1.415 -0.817 -3.877) 4.207 7.800 ( 9.444 5.453 0.086) 10.906 8.620 ( 4.457 2.574 5.436) 7.486 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -20.467 -11.816 8.605) 25.151 1.010 ( -21.964 -12.681 8.761) 26.832 1.747 ( -37.217 -21.487 -3.155) 43.090 2.985 ( -0.741 -0.428 -1.592) 1.808 3.211 ( -8.881 -5.127 0.714) 10.279 4.752 ( 6.390 3.689 -1.804) 7.596 5.463 ( -3.912 -2.258 -2.877) 5.355 6.429 ( 3.731 2.154 -0.747) 4.373 6.459 ( 1.535 0.886 1.658) 2.428 7.177 ( -1.810 -1.045 -5.953) 6.309 8.002 ( 8.319 4.803 0.848) 9.644 8.713 ( 2.502 1.445 2.790) 4.017 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 0.000 24.611 9.959) 26.549 0.679 ( 0.000 19.530 17.568) 26.269 1.032 ( 0.000 33.217 22.933) 40.364 2.950 ( -0.000 0.096 -2.487) 2.489 3.036 ( -0.000 7.000 -1.889) 7.251 4.859 ( 0.000 -7.401 -0.620) 7.427 5.369 ( -0.000 1.544 -2.760) 3.163 6.487 ( 0.000 -2.062 0.350) 2.092 6.507 ( 0.000 -0.909 1.695) 1.923 6.714 ( -0.000 31.676 -41.722) 52.384 8.195 ( 0.000 -6.085 4.319) 7.462 8.770 ( 0.000 -2.244 0.622) 2.329 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 0.355 19.575 15.899) 25.220 0.964 ( 5.958 25.136 3.770) 26.106 1.665 ( 23.044 28.774 12.032) 38.778 2.973 ( 2.593 0.855 -1.835) 3.290 3.133 ( 3.630 8.832 -1.598) 9.682 4.767 ( -2.097 -6.140 -2.852) 7.087 5.434 ( 5.209 2.254 -1.670) 5.916 6.448 ( -1.468 -3.298 0.020) 3.610 6.484 ( -1.985 -1.245 1.622) 2.850 6.922 ( 8.415 12.206 -23.208) 27.539 8.101 ( -4.285 -8.172 4.876) 10.436 8.704 ( -4.892 -2.054 -1.751) 5.587 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 9.323 17.334 9.061) 21.667 1.321 ( 8.431 21.814 -0.502) 23.392 2.310 ( 21.017 21.803 0.376) 30.286 3.027 ( 1.574 3.233 -0.757) 3.674 3.341 ( 11.032 9.290 2.446) 14.629 4.659 ( -2.666 -6.225 -1.337) 6.903 5.561 ( 6.499 3.855 -0.194) 7.559 6.375 ( -2.660 -4.455 -0.215) 5.193 6.436 ( -2.893 -0.142 1.049) 3.081 7.092 ( 8.042 5.461 -11.498) 15.056 7.935 ( -7.099 -8.929 5.107) 12.498 8.560 ( -7.798 -2.928 -5.412) 9.933 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 12.539 14.748 3.032) 19.594 1.656 ( 9.397 17.558 -3.204) 20.170 2.781 ( 15.904 15.101 -7.517) 23.184 3.077 ( 0.110 4.581 -0.576) 4.618 3.677 ( 14.788 9.545 6.719) 18.840 4.555 ( -2.558 -6.238 2.393) 7.154 5.718 ( 6.538 5.223 1.164) 8.449 6.287 ( -2.452 -3.642 -0.172) 4.394 6.403 ( -1.981 1.763 -0.035) 2.652 7.210 ( 4.764 0.977 -5.939) 7.676 7.726 ( -9.379 -8.991 4.883) 13.880 8.380 ( -6.766 -2.691 -7.777) 10.654 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 11.100 10.856 -3.044) 15.822 1.960 ( 9.590 14.647 -2.297) 17.657 3.107 ( 3.723 5.825 -3.050) 7.556 3.133 ( 8.718 10.539 -4.890) 14.525 3.999 ( 10.880 6.602 4.793) 13.599 4.469 ( -2.331 -6.060 6.627) 9.278 5.875 ( 4.864 5.795 2.385) 7.933 6.241 ( 0.363 -1.244 -0.530) 1.400 6.409 ( -0.116 3.509 -1.009) 3.653 7.219 ( -0.606 -2.413 -5.079) 5.656 7.470 ( -12.488 -8.658 3.209) 15.531 8.276 ( -0.426 -1.127 -5.728) 5.853 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 7.873 6.559 -5.216) 11.499 2.237 ( 7.574 12.888 -1.661) 15.041 3.138 ( -0.977 3.263 0.417) 3.431 3.415 ( 10.753 10.915 -6.896) 16.802 4.184 ( 5.155 2.338 1.561) 5.872 4.392 ( -3.190 -6.132 9.626) 11.851 5.996 ( 1.662 5.881 2.855) 6.745 6.274 ( 3.848 0.949 -1.362) 4.191 6.458 ( 1.805 4.109 -1.407) 4.703 7.130 ( -5.197 -4.843 -6.838) 9.860 7.187 ( -11.103 -5.207 3.626) 12.788 8.293 ( 3.933 -0.785 -2.338) 4.642 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 4.731 3.521 -3.955) 7.101 2.438 ( 3.064 10.658 -1.619) 11.208 3.145 ( -1.513 2.218 0.888) 2.828 3.648 ( 8.138 9.128 -9.418) 15.435 4.207 ( -3.902 -3.428 -2.832) 5.916 4.335 ( 0.456 -3.407 14.419) 14.823 6.060 ( -1.621 5.799 2.206) 6.413 6.369 ( 6.181 1.515 -1.765) 6.604 6.528 ( 2.217 3.559 -0.949) 4.299 6.887 ( -10.899 -5.400 -1.848) 12.303 7.095 ( -1.738 -0.458 0.405) 1.842 8.347 ( 3.954 -1.798 -0.971) 4.451 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 1.968 1.073 -1.772) 2.858 2.528 ( -2.665 7.707 -0.392) 8.164 3.137 ( -1.861 1.652 0.520) 2.542 3.800 ( 5.072 5.931 -14.492) 16.459 4.035 ( -7.746 -6.006 0.556) 9.817 4.380 ( 0.600 -1.357 12.659) 12.746 6.069 ( -4.106 4.870 1.068) 6.459 6.465 ( 3.465 -1.673 -0.079) 3.848 6.582 ( -0.823 1.834 -0.375) 2.045 6.718 ( -2.117 1.459 -2.220) 3.397 7.099 ( 1.218 1.102 2.354) 2.870 8.374 ( 2.380 -3.089 -0.572) 3.941 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -0.841 -1.646 0.783) 2.008 2.489 ( -8.898 3.453 1.813) 9.716 3.123 ( -1.967 2.228 -0.480) 3.011 3.746 ( -7.797 -3.861 -7.922) 11.767 3.980 ( 4.516 1.947 -4.881) 6.929 4.368 ( -4.674 -2.092 8.768) 10.153 6.025 ( -5.778 2.885 -0.126) 6.460 6.405 ( -5.228 -4.050 0.407) 6.626 6.542 ( -2.490 0.161 -0.004) 2.495 6.857 ( 9.256 7.552 -2.628) 12.231 7.167 ( 4.024 1.617 3.904) 5.835 8.371 ( 1.597 -3.634 0.567) 4.009 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -5.362 -4.393 3.136) 7.608 2.308 ( -14.436 -1.800 3.701) 15.011 3.111 ( -2.590 3.441 -1.274) 4.491 3.540 ( -9.613 -4.787 -0.352) 10.745 4.092 ( 7.451 2.892 -6.929) 10.578 4.218 ( -11.569 -4.344 2.420) 12.593 5.933 ( -6.877 0.654 -1.222) 7.015 6.288 ( -4.286 -1.990 -0.378) 4.740 6.496 ( -3.421 0.317 0.994) 3.577 7.075 ( 8.611 6.258 -4.637) 11.611 7.287 ( 6.991 1.910 4.347) 8.451 8.379 ( 2.908 -2.599 3.045) 4.948 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -18.075 -7.730 5.724) 20.475 2.062 ( -12.171 -4.417 3.536) 13.422 3.088 ( -3.690 3.440 -2.001) 5.428 3.311 ( -13.974 -5.233 3.578) 15.345 3.907 ( -17.098 -6.868 -0.901) 18.448 4.258 ( 10.091 3.483 -6.399) 12.446 5.805 ( -7.609 -0.672 -2.030) 7.903 6.239 ( -0.161 0.245 -0.651) 0.714 6.450 ( -2.740 0.608 1.553) 3.208 7.205 ( 3.552 2.567 -5.447) 6.991 7.465 ( 9.858 2.825 2.463) 10.546 8.446 ( 5.367 -0.606 4.913) 7.302 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -20.476 -10.962 6.481) 24.113 1.775 ( -18.546 -3.483 3.922) 19.273 2.900 ( -26.195 -8.126 -0.103) 27.426 3.063 ( -5.304 2.848 -0.305) 6.027 3.573 ( -13.454 -5.805 -0.988) 14.686 4.454 ( 10.667 3.329 -3.330) 11.660 5.661 ( -7.569 -0.795 -2.337) 7.961 6.279 ( 3.789 1.573 -0.711) 4.164 6.431 ( -0.745 0.454 1.670) 1.884 7.227 ( -0.238 0.483 -4.888) 4.918 7.672 ( 10.652 2.834 1.099) 11.077 8.561 ( 6.221 0.193 3.886) 7.338 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -21.193 -11.293 7.697) 25.218 1.404 ( -23.405 -2.743 3.066) 23.764 2.262 ( -38.392 -6.901 0.140) 39.007 3.017 ( -3.076 1.670 -1.162) 3.688 3.333 ( -10.437 -3.426 -0.100) 10.985 4.643 ( 9.090 2.355 -1.593) 9.524 5.532 ( -6.373 0.168 -1.986) 6.677 6.371 ( 4.986 1.481 -0.730) 5.252 6.441 ( 1.161 -0.185 1.539) 1.937 7.191 ( -2.421 0.353 -6.030) 6.507 7.879 ( 10.512 2.032 1.600) 10.826 8.662 ( 4.899 -0.714 1.134) 5.079 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.000 19.847 11.961) 23.172 1.167 ( -0.000 24.106 7.875) 25.360 1.825 ( -0.000 36.793 10.562) 38.279 2.940 ( -0.000 0.666 -3.128) 3.198 3.202 ( -0.000 10.770 -1.402) 10.861 4.704 ( -0.000 -7.722 -3.377) 8.428 5.406 ( -0.000 4.258 -2.964) 5.188 6.421 ( 0.000 -4.684 -0.070) 4.684 6.493 ( 0.000 -1.579 1.846) 2.429 6.911 ( -0.000 12.255 -19.445) 22.985 8.059 ( 0.000 -10.405 4.734) 11.431 8.724 ( -0.000 -2.483 -1.798) 3.066 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -0.847 21.040 12.425) 24.449 1.446 ( 3.108 21.968 2.360) 22.312 2.293 ( 10.359 30.390 1.710) 32.152 2.991 ( 5.188 2.243 -1.723) 5.909 3.329 ( 3.212 11.797 0.583) 12.240 4.609 ( -0.785 -8.238 -2.234) 8.571 5.495 ( 5.345 5.325 -1.822) 7.761 6.361 ( -1.335 -5.151 -0.165) 5.323 6.472 ( -1.298 -0.985 1.513) 2.223 7.003 ( 4.773 7.196 -12.680) 15.341 7.939 ( -3.294 -11.200 4.489) 12.508 8.639 ( -5.751 -2.961 -3.558) 7.382 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 2.761 20.721 9.706) 23.047 1.705 ( 5.008 17.880 -1.638) 18.640 2.702 ( 10.440 20.310 -7.275) 23.967 3.104 ( 3.185 5.078 -1.681) 6.225 3.576 ( 10.857 12.554 5.530) 17.495 4.513 ( -0.667 -8.359 0.727) 8.417 5.659 ( 7.241 6.596 -0.056) 9.795 6.283 ( -1.985 -4.369 -0.416) 4.817 6.452 ( -1.341 1.085 0.764) 1.887 7.109 ( 5.602 1.897 -7.699) 9.709 7.769 ( -5.578 -10.886 4.375) 12.991 8.469 ( -8.750 -2.946 -5.658) 10.828 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 4.128 14.443 0.967) 15.052 1.979 ( 7.138 18.151 1.281) 19.546 3.023 ( 10.922 14.572 -7.622) 19.741 3.176 ( 0.326 5.978 -1.889) 6.278 3.902 ( 11.020 9.780 4.476) 15.399 4.434 ( -0.114 -8.068 4.342) 9.163 5.850 ( 6.667 7.613 1.733) 10.267 6.223 ( -0.670 -2.290 -1.066) 2.613 6.457 ( -0.810 3.688 -0.198) 3.781 7.158 ( 2.670 -2.560 -6.040) 7.083 7.569 ( -8.137 -9.717 4.043) 13.303 8.293 ( -5.876 -2.106 -5.559) 8.358 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 5.040 9.144 -2.550) 10.748 2.275 ( 6.017 17.926 1.511) 18.969 3.194 ( -0.463 4.993 -1.965) 5.385 3.343 ( 9.915 13.036 -4.233) 16.916 4.120 ( 6.071 3.780 1.091) 7.234 4.376 ( -0.322 -7.419 6.522) 9.883 6.026 ( 4.130 7.668 3.228) 9.289 6.221 ( 2.348 0.289 -2.264) 3.274 6.492 ( -0.227 5.250 -0.896) 5.331 7.115 ( -1.112 -4.395 -6.349) 7.801 7.333 ( -10.919 -7.046 3.050) 13.348 8.222 ( 0.991 -2.026 -2.651) 3.480 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 4.157 5.783 -2.690) 7.613 2.521 ( 2.815 16.387 0.424) 16.633 3.210 ( -2.089 3.859 0.083) 4.389 3.601 ( 7.383 11.636 -5.499) 14.837 4.202 ( 1.101 -0.399 -2.038) 2.351 4.311 ( 0.016 -7.881 9.251) 12.152 6.148 ( 0.754 7.025 2.915) 7.643 6.288 ( 4.602 2.381 -2.439) 5.727 6.538 ( 0.450 4.176 -0.851) 4.286 6.990 ( -7.169 -4.367 -5.036) 9.789 7.145 ( -5.469 -1.735 2.260) 6.166 8.243 ( 4.352 -3.405 -0.768) 5.579 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 2.117 3.036 -2.009) 4.212 2.678 ( -2.118 14.045 0.274) 14.207 3.202 ( -2.799 2.952 0.963) 4.181 3.764 ( 3.134 8.431 -9.564) 13.129 4.089 ( -6.582 -6.202 -3.641) 9.749 4.354 ( 4.979 -3.234 12.350) 13.703 6.201 ( -3.154 6.439 1.164) 7.264 6.386 ( 4.571 1.573 -0.945) 4.926 6.582 ( 1.746 1.320 -0.162) 2.195 6.816 ( -7.924 0.833 -2.440) 8.333 7.109 ( -0.399 0.986 1.548) 1.878 8.274 ( 4.157 -5.097 -0.518) 6.598 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -0.183 0.396 -0.909) 1.009 2.708 ( -8.702 9.447 1.648) 12.949 3.189 ( -2.411 3.581 0.562) 4.353 3.785 ( -3.950 0.492 -13.647) 14.216 3.946 ( -0.871 -2.402 0.133) 2.559 4.422 ( 0.531 -1.497 10.242) 10.364 6.170 ( -6.616 4.082 0.042) 7.774 6.423 ( -0.654 -2.498 0.332) 2.604 6.593 ( -1.657 1.135 0.267) 2.027 6.808 ( 3.285 7.811 -2.308) 8.782 7.140 ( 1.874 1.280 2.528) 3.397 8.280 ( 3.395 -6.044 -0.277) 6.937 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -2.884 -2.093 0.455) 3.593 2.574 ( -14.971 2.907 3.093) 15.561 3.198 ( -2.391 5.854 -0.095) 6.324 3.619 ( -6.932 -4.794 -6.458) 10.618 3.991 ( 4.974 1.958 -3.704) 6.503 4.374 ( -7.799 -1.980 5.979) 10.024 6.070 ( -8.004 1.357 -0.322) 8.125 6.344 ( -4.518 -2.189 -0.206) 5.024 6.574 ( -3.571 2.936 0.756) 4.685 6.984 ( 8.102 7.282 -3.752) 11.522 7.211 ( 4.618 0.371 3.533) 5.826 8.285 ( 4.199 -5.264 0.953) 6.800 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -7.610 -4.321 1.998) 8.976 2.301 ( -18.591 -1.185 2.857) 18.847 3.203 ( -4.477 6.410 -1.046) 7.888 3.442 ( -7.336 -4.955 -1.390) 8.961 4.113 ( 8.338 2.513 -3.554) 9.405 4.153 ( -16.615 -3.366 2.254) 17.102 5.938 ( -8.451 0.346 -0.349) 8.465 6.261 ( -2.946 -0.584 -0.735) 3.092 6.530 ( -4.688 2.087 0.856) 5.202 7.148 ( 5.300 4.493 -5.342) 8.764 7.332 ( 8.542 0.123 3.500) 9.232 8.338 ( 6.399 -3.099 2.044) 7.398 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -20.247 -6.042 4.369) 21.576 2.022 ( -14.081 -1.373 0.241) 14.150 3.142 ( -9.281 3.086 -3.999) 10.566 3.247 ( -11.341 -3.160 1.809) 11.911 3.805 ( -19.531 -2.766 0.589) 19.735 4.294 ( 10.587 2.601 -0.780) 10.930 5.795 ( -8.766 0.441 -0.337) 8.783 6.243 ( 1.169 0.432 -0.780) 1.470 6.474 ( -3.447 0.499 0.787) 3.571 7.216 ( 1.369 2.037 -4.126) 4.801 7.511 ( 10.915 0.530 1.873) 11.088 8.441 ( 7.635 -1.851 0.843) 7.901 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -22.810 -3.473 4.007) 23.418 1.735 ( -18.770 -2.014 -1.138) 18.912 2.803 ( -28.305 -0.336 -3.209) 28.488 3.106 ( -5.832 0.190 0.797) 5.889 3.516 ( -13.937 0.830 1.215) 14.015 4.496 ( 10.360 1.784 0.776) 10.542 5.659 ( -8.057 1.285 -0.023) 8.159 6.295 ( 4.434 0.355 -0.581) 4.486 6.437 ( -0.957 -0.860 0.623) 1.430 7.222 ( -1.446 1.943 -3.717) 4.437 7.708 ( 11.440 -0.149 1.995) 11.614 8.543 ( 6.911 -2.504 -2.203) 7.674 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -0.000 18.156 6.406) 19.254 1.650 ( -0.000 21.192 5.043) 21.783 2.536 ( -0.000 31.782 -0.070) 31.782 2.942 ( -0.000 1.462 -2.669) 3.044 3.433 ( -0.000 13.731 1.515) 13.814 4.524 ( 0.000 -9.141 -1.085) 9.205 5.502 ( -0.000 7.136 -1.695) 7.334 6.322 ( 0.000 -5.061 0.243) 5.067 6.473 ( 0.000 -1.359 1.168) 1.791 6.994 ( -0.000 5.714 -10.407) 11.873 7.864 ( 0.000 -12.093 3.623) 12.624 8.648 ( -0.000 -3.515 -3.571) 5.011 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 3.366 17.219 3.268) 17.847 1.843 ( -1.172 18.114 3.805) 18.546 2.790 ( 0.848 20.827 -6.767) 21.915 3.044 ( 7.785 4.755 -2.807) 9.544 3.616 ( 3.597 16.717 5.223) 17.880 4.434 ( -0.029 -9.203 1.527) 9.329 5.620 ( 5.231 8.189 -0.319) 9.722 6.268 ( -1.143 -3.933 0.244) 4.103 6.466 ( 0.168 -0.249 0.544) 0.621 7.032 ( 2.834 1.874 -7.471) 8.207 7.736 ( -2.423 -11.737 2.979) 12.349 8.551 ( -5.799 -3.503 -4.473) 8.118 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 0.716 11.571 -2.462) 11.852 2.077 ( 4.895 19.503 6.349) 21.086 2.995 ( 6.679 14.212 -5.988) 16.807 3.182 ( 4.155 4.636 -4.909) 7.928 3.884 ( 6.208 15.146 4.270) 16.917 4.361 ( 0.502 -8.220 4.566) 9.416 5.815 ( 7.359 8.897 1.405) 11.631 6.216 ( -1.337 -1.960 -0.486) 2.422 6.485 ( 1.005 2.067 -0.272) 2.314 7.062 ( 3.104 -2.465 -5.743) 6.977 7.581 ( -4.129 -10.474 2.772) 11.595 8.381 ( -8.234 -2.658 -4.715) 9.853 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 2.308 8.762 -2.117) 9.305 2.373 ( 5.590 19.021 4.530) 20.337 3.218 ( 3.842 8.047 -4.798) 10.126 3.292 ( 8.109 7.939 -1.645) 11.467 4.080 ( 3.673 5.270 -0.014) 6.424 4.327 ( 0.516 -4.279 5.644) 7.102 6.026 ( 6.247 8.516 3.237) 11.047 6.194 ( 0.354 0.489 -2.038) 2.126 6.534 ( 1.097 4.342 -1.096) 4.611 7.047 ( 1.483 -4.821 -5.441) 7.419 7.412 ( -6.196 -8.320 2.392) 10.646 8.229 ( -5.123 -1.933 -2.973) 6.231 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 2.952 6.569 -1.391) 7.335 2.645 ( 3.659 18.066 3.019) 18.678 3.274 ( -0.661 4.496 -1.906) 4.928 3.559 ( 10.286 10.277 -0.668) 14.555 4.139 ( 3.971 -3.389 1.713) 5.495 4.290 ( -3.477 -2.704 0.710) 4.461 6.177 ( 2.512 4.263 2.611) 5.595 6.248 ( 4.134 5.213 -1.700) 6.867 6.580 ( -0.497 3.852 -1.400) 4.128 7.001 ( -0.328 -2.699 -5.086) 5.767 7.238 ( -7.093 -4.537 1.895) 8.631 8.162 ( 0.333 -3.076 -0.666) 3.165 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 1.821 4.293 -0.971) 4.764 2.853 ( -0.039 16.458 1.975) 16.576 3.283 ( -2.534 3.467 0.371) 4.311 3.777 ( 4.235 8.918 -3.432) 10.452 4.139 ( -7.666 -3.256 -6.170) 10.365 4.220 ( 8.568 -6.804 8.713) 13.986 6.251 ( 2.359 3.122 -0.882) 4.011 6.366 ( 2.535 5.266 1.215) 5.969 6.575 ( -1.080 -0.603 -0.720) 1.431 6.949 ( -5.010 3.528 -3.315) 6.967 7.137 ( -2.095 -0.362 1.360) 2.524 8.154 ( 3.131 -5.355 0.030) 6.203 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -0.185 1.968 -0.708) 2.099 2.953 ( -6.475 12.585 1.980) 14.291 3.269 ( -2.552 3.346 1.421) 4.441 3.841 ( -4.001 4.820 -9.772) 11.607 3.944 ( -4.326 -5.849 -1.645) 7.458 4.360 ( 8.215 -2.697 8.198) 11.915 6.288 ( -2.395 2.619 -1.038) 3.697 6.412 ( -0.600 0.444 0.230) 0.781 6.577 ( 3.202 -0.894 1.111) 3.505 6.910 ( -4.832 8.973 -1.923) 10.371 7.140 ( 0.451 1.147 1.149) 1.685 8.153 ( 3.728 -6.805 -0.161) 7.761 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -2.321 -0.028 -0.330) 2.344 2.868 ( -14.101 4.776 2.507) 15.097 3.293 ( -1.150 6.445 1.473) 6.710 3.670 ( -8.106 -4.169 -7.719) 11.945 3.938 ( 2.438 1.184 -1.333) 3.020 4.441 ( 0.560 -1.625 4.930) 5.221 6.208 ( -7.343 0.356 -0.040) 7.352 6.383 ( -2.236 -1.270 -0.504) 2.621 6.636 ( 1.323 1.897 0.997) 2.518 6.962 ( 1.259 8.952 -2.554) 9.394 7.166 ( 1.732 -0.308 1.918) 2.603 8.156 ( 4.489 -5.930 0.069) 7.438 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -4.830 -1.248 -0.091) 4.989 2.618 ( -18.416 -0.098 2.155) 18.542 3.338 ( -2.585 7.120 1.110) 7.655 3.487 ( -6.508 -4.799 -3.723) 8.902 4.013 ( 5.324 1.826 -0.824) 5.689 4.361 ( -9.257 -1.881 1.733) 9.603 6.079 ( -8.000 -0.005 0.814) 8.042 6.315 ( -4.086 -0.512 -0.971) 4.230 6.634 ( -4.054 1.711 0.198) 4.405 7.087 ( 5.462 5.818 -4.469) 9.146 7.215 ( 5.101 -2.211 3.257) 6.443 8.201 ( 6.153 -3.176 0.312) 6.932 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -10.003 -1.502 -0.395) 10.123 2.291 ( -19.267 -1.170 1.073) 19.332 3.323 ( -6.482 3.862 -1.966) 7.797 3.331 ( -6.652 -3.270 -0.725) 7.448 4.102 ( -10.874 -0.426 -1.864) 11.041 4.171 ( 2.406 1.797 4.467) 5.383 5.948 ( -8.433 0.421 1.456) 8.568 6.252 ( -2.333 0.227 -1.202) 2.634 6.553 ( -5.425 -0.554 -0.246) 5.459 7.192 ( 3.113 2.944 -3.815) 5.737 7.333 ( 10.137 -2.003 2.651) 10.668 8.294 ( 7.211 -1.379 -1.180) 7.436 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -20.001 0.562 -0.174) 20.009 2.000 ( -15.479 -0.442 -1.944) 15.607 3.158 ( -15.504 2.323 -6.076) 16.813 3.191 ( -6.055 -3.401 0.114) 6.946 3.829 ( -17.765 3.844 3.036) 18.428 4.348 ( 9.877 1.599 4.518) 10.978 5.815 ( -8.539 1.069 1.747) 8.781 6.243 ( 1.361 0.164 -0.767) 1.570 6.462 ( -3.500 -1.775 -0.424) 3.947 7.240 ( 1.039 2.033 -2.039) 3.061 7.508 ( 11.785 -2.109 1.944) 12.129 8.390 ( 6.733 -1.884 -4.451) 8.288 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -0.000 14.754 1.034) 14.790 2.019 ( -0.000 14.501 0.141) 14.501 2.968 ( -0.000 2.533 -1.007) 2.726 2.986 ( -0.000 17.637 -10.266) 20.407 3.788 ( -0.000 20.034 6.788) 21.153 4.355 ( 0.000 -8.656 4.112) 9.583 5.658 ( -0.000 9.178 0.409) 9.187 6.249 ( 0.000 -2.426 0.754) 2.541 6.458 ( 0.000 -0.505 -0.131) 0.522 6.999 ( -0.000 -0.033 -6.082) 6.082 7.650 ( 0.000 -11.352 1.712) 11.481 8.552 ( -0.000 -3.780 -4.339) 5.755 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -0.417 10.032 -3.405) 10.602 2.179 ( 4.797 13.614 1.192) 14.484 3.014 ( 2.935 6.776 -1.359) 7.509 3.134 ( 4.090 7.904 -9.187) 12.791 4.004 ( 0.739 16.179 4.594) 16.834 4.305 ( 0.346 -4.241 7.298) 8.448 5.798 ( 5.259 9.461 1.619) 10.945 6.226 ( -1.188 -0.383 0.299) 1.284 6.469 ( 1.717 0.605 -0.758) 1.972 6.982 ( 1.375 -3.039 -4.704) 5.766 7.534 ( -1.721 -10.087 0.984) 10.280 8.458 ( -5.183 -3.184 -4.184) 7.383 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 1.007 6.747 -3.485) 7.660 2.439 ( 8.442 14.414 2.176) 16.846 3.180 ( 9.109 6.115 0.519) 10.984 3.229 ( 3.062 5.031 -7.005) 9.152 4.088 ( -0.421 -0.366 1.676) 1.767 4.354 ( -0.622 7.805 6.172) 9.970 6.005 ( 7.180 8.916 2.846) 11.796 6.208 ( -1.317 1.672 -1.108) 2.399 6.524 ( 3.297 2.378 -1.244) 4.251 6.953 ( 1.691 -5.408 -3.910) 6.885 7.408 ( -2.929 -8.337 0.684) 8.863 8.312 ( -7.128 -1.951 -3.017) 7.982 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 2.705 5.502 -1.615) 6.340 2.728 ( 7.735 14.796 2.411) 16.869 3.298 ( 1.870 4.157 -4.099) 6.130 3.430 ( 13.462 4.812 2.579) 14.527 4.056 ( 0.553 -5.893 2.399) 6.387 4.390 ( -5.821 6.570 -0.300) 8.783 6.187 ( 2.398 4.465 2.863) 5.821 6.232 ( 3.296 5.720 -1.586) 6.789 6.598 ( 1.967 2.760 -1.749) 3.814 6.928 ( 3.121 -4.151 -3.291) 6.148 7.282 ( -3.909 -5.823 0.456) 7.028 8.182 ( -5.295 -1.560 -1.022) 5.614 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 2.300 4.026 -0.518) 4.665 2.980 ( 4.330 14.231 2.164) 15.032 3.341 ( -0.289 3.268 -1.236) 3.506 3.717 ( 12.658 5.140 2.720) 13.930 4.032 ( 4.668 -7.914 3.480) 9.825 4.276 ( -11.236 1.997 -5.238) 12.557 6.239 ( 1.539 3.468 -1.794) 4.197 6.364 ( 3.971 4.211 2.741) 6.404 6.597 ( -2.383 -0.957 -1.658) 3.057 6.980 ( 4.348 2.716 -2.568) 5.734 7.178 ( -3.497 -2.291 0.473) 4.207 8.099 ( -2.031 -3.160 0.264) 3.766 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 0.546 2.198 -0.216) 2.275 3.148 ( -0.890 11.922 1.686) 12.074 3.338 ( -2.300 1.281 1.046) 2.833 3.885 ( 2.014 2.725 -0.327) 3.404 4.044 ( -13.148 -0.850 -6.138) 14.535 4.148 ( 13.913 -4.926 4.502) 15.431 6.299 ( 2.004 3.084 -1.977) 4.176 6.450 ( 0.737 2.052 2.022) 2.974 6.524 ( -1.249 -3.392 -0.225) 3.622 7.056 ( -1.688 7.224 -1.699) 7.611 7.142 ( 0.464 0.124 0.519) 0.707 8.050 ( 0.799 -5.036 0.309) 5.108 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -1.493 0.658 -0.155) 1.639 3.131 ( -11.038 3.632 1.469) 11.713 3.348 ( 0.986 2.653 1.375) 3.146 3.796 ( -11.940 -0.982 -3.535) 12.491 3.920 ( 0.660 1.821 -0.934) 2.150 4.342 ( 9.980 -2.604 1.951) 10.498 6.315 ( -3.828 1.079 -0.047) 3.977 6.405 ( -2.580 -0.310 -0.921) 2.757 6.571 ( 5.898 -0.890 0.941) 6.038 7.072 ( -3.159 7.136 -1.180) 7.892 7.153 ( -0.155 -0.850 0.573) 1.037 8.038 ( 3.293 -3.910 0.143) 5.114 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -3.388 -0.012 -0.270) 3.399 2.910 ( -16.042 -1.332 0.863) 16.121 3.376 ( 0.498 -1.760 -0.354) 1.864 3.623 ( -9.877 4.520 1.181) 10.926 3.961 ( 2.807 1.272 0.603) 3.141 4.411 ( 0.947 -2.542 -1.449) 3.075 6.213 ( -7.565 0.259 1.218) 7.667 6.369 ( -2.573 0.173 -1.072) 2.792 6.650 ( 2.999 -0.727 -0.635) 3.151 7.083 ( -0.783 3.275 -2.164) 4.003 7.140 ( 1.715 -2.964 1.433) 3.712 8.090 ( 4.937 -0.115 0.116) 4.940 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -5.666 0.511 -1.246) 5.824 2.599 ( -18.367 -2.498 0.071) 18.537 3.318 ( -1.900 -6.067 -1.204) 6.471 3.540 ( -9.175 7.338 2.049) 11.926 4.051 ( 5.771 1.428 3.197) 6.750 4.324 ( -7.441 -1.664 -2.199) 7.936 6.092 ( -7.834 0.319 2.140) 8.127 6.310 ( -4.059 0.774 -1.462) 4.383 6.620 ( -3.838 -2.521 -1.186) 4.743 7.137 ( 6.529 0.258 -3.503) 7.414 7.167 ( 4.230 -3.291 2.433) 5.886 8.188 ( 5.172 2.268 -0.985) 5.733 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -10.331 2.339 -3.611) 11.191 2.270 ( -17.915 -0.987 -0.776) 17.959 3.213 ( -3.327 -5.402 -0.145) 6.346 3.418 ( -12.757 4.727 -3.410) 14.026 4.111 ( -8.778 2.097 -0.356) 9.032 4.241 ( 5.053 1.268 7.596) 9.211 5.968 ( -8.023 -0.011 2.696) 8.464 6.257 ( -2.528 1.124 -1.262) 3.041 6.511 ( -4.801 -2.569 -1.121) 5.559 7.207 ( 3.221 -0.042 -1.638) 3.614 7.282 ( 11.863 -4.377 0.699) 12.664 8.283 ( 4.109 1.920 -3.597) 5.789 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -0.000 10.243 -2.542) 10.553 2.191 ( -0.000 5.109 -5.847) 7.765 3.027 ( -0.000 3.425 0.804) 3.518 3.161 ( -0.000 8.384 -8.415) 11.878 4.109 ( 0.000 0.762 3.571) 3.652 4.362 ( 0.000 12.138 9.503) 15.416 5.848 ( -0.000 9.129 2.230) 9.398 6.246 ( -0.000 1.852 0.484) 1.914 6.452 ( -0.000 0.443 -1.498) 1.562 6.923 ( -0.000 -4.550 -3.414) 5.689 7.457 ( 0.000 -8.821 -0.278) 8.826 8.458 ( -0.000 -3.142 -3.761) 4.901 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -1.314 4.008 -4.985) 6.530 2.370 ( 10.861 7.275 -3.197) 13.458 3.102 ( 4.638 3.273 1.070) 5.777 3.225 ( 1.852 5.758 -5.028) 7.866 4.080 ( -0.945 -5.113 3.937) 6.522 4.519 ( -1.988 15.105 6.043) 16.390 5.987 ( 5.331 8.094 2.716) 10.065 6.259 ( -1.721 3.709 -0.526) 4.123 6.480 ( 2.972 1.273 -1.537) 3.580 6.868 ( 0.645 -6.165 -2.367) 6.635 7.366 ( -1.285 -7.115 -0.857) 7.281 8.383 ( -4.254 -2.217 -2.796) 5.552 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 2.557 3.432 -2.484) 4.949 2.651 ( 14.378 7.650 -1.706) 16.375 3.240 ( 7.585 2.423 -1.486) 8.101 3.310 ( 4.551 3.357 1.172) 5.775 4.021 ( -1.303 -5.165 3.264) 6.247 4.586 ( -6.610 10.367 1.254) 12.359 6.172 ( 6.411 5.815 3.109) 9.197 6.265 ( -1.560 5.068 -2.056) 5.687 6.559 ( 4.408 2.085 -1.267) 5.038 6.820 ( 2.225 -6.385 -1.556) 6.939 7.275 ( -2.064 -5.060 -0.935) 5.544 8.270 ( -6.160 -1.059 -1.268) 6.377 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 3.349 2.779 -0.646) 4.399 2.960 ( 12.416 8.407 -0.537) 15.004 3.342 ( 2.916 2.632 -3.179) 5.054 3.497 ( 14.218 -0.328 5.834) 15.372 3.961 ( -1.071 -4.528 2.034) 5.079 4.502 ( -11.902 5.317 -2.547) 13.282 6.262 ( -0.108 4.041 -1.502) 4.313 6.340 ( 3.730 3.239 2.347) 5.469 6.611 ( -0.175 0.017 -1.642) 1.651 6.860 ( 8.702 -1.622 -0.671) 8.877 7.200 ( -2.059 -2.386 -0.693) 3.227 8.155 ( -6.101 -0.934 -0.037) 6.172 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 2.010 1.383 -0.068) 2.441 3.194 ( 6.717 6.377 -0.077) 9.262 3.374 ( -0.716 0.514 -0.586) 1.059 3.785 ( 17.662 -0.354 3.654) 18.040 3.916 ( 0.728 -4.251 0.710) 4.371 4.297 ( -15.233 2.909 -3.128) 15.821 6.301 ( 0.902 3.926 -1.987) 4.492 6.410 ( 3.175 -1.526 2.849) 4.530 6.564 ( -3.820 -0.456 -1.140) 4.013 7.026 ( 9.023 1.870 -0.329) 9.221 7.159 ( -1.499 0.138 -0.307) 1.536 8.051 ( -4.576 -1.665 0.224) 4.875 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 0.126 0.057 0.000) 0.138 3.304 ( -5.651 2.375 0.077) 6.130 3.313 ( 2.478 -3.985 -0.079) 4.693 3.889 ( -0.449 -0.136 0.001) 0.470 4.068 ( -11.546 2.513 0.036) 11.816 4.087 ( 14.305 -1.184 -0.035) 14.354 6.346 ( 0.829 2.000 0.094) 2.167 6.455 ( 3.023 -3.207 -0.522) 4.438 6.486 ( -3.506 1.323 0.434) 3.772 7.140 ( 0.506 0.928 -0.185) 1.073 7.144 ( 0.801 -0.255 0.180) 0.860 7.992 ( -0.560 -0.264 0.000) 0.619 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -1.539 -0.423 -0.024) 1.596 3.115 ( -11.384 -5.549 -0.241) 12.666 3.328 ( 0.965 -3.784 -0.686) 3.965 3.856 ( -7.853 5.558 2.421) 9.921 3.957 ( -2.331 1.710 3.477) 4.522 4.281 ( 9.756 -2.683 -4.630) 11.127 6.336 ( -5.059 0.119 2.089) 5.474 6.398 ( -1.739 0.390 -1.530) 2.349 6.552 ( 5.926 -0.555 -0.924) 6.023 7.089 ( -2.587 -6.483 0.557) 7.003 7.141 ( -1.125 0.871 -0.713) 1.591 8.038 ( 3.473 3.840 0.139) 5.180 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -3.054 0.297 -0.600) 3.127 2.836 ( -14.386 -6.049 -0.865) 15.630 3.279 ( -0.769 -5.589 -0.214) 5.646 3.782 ( -9.646 7.278 3.665) 12.627 3.997 ( 3.404 0.754 5.693) 6.676 4.331 ( 1.904 -2.769 -6.841) 7.621 6.228 ( -7.385 -0.459 1.826) 7.621 6.375 ( -2.508 1.243 -1.180) 3.038 6.611 ( 1.535 -1.931 -1.598) 2.939 6.995 ( 2.287 -8.339 0.701) 8.675 7.133 ( 0.306 -0.223 -1.429) 1.479 8.155 ( 3.899 5.977 -0.066) 7.136 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -5.160 2.000 -2.654) 6.137 2.530 ( -15.409 -3.795 -1.500) 15.940 3.204 ( -1.819 -4.973 0.449) 5.315 3.668 ( -12.089 5.023 -1.113) 13.138 4.112 ( 5.920 1.107 8.982) 10.814 4.279 ( -2.770 -0.811 -4.032) 4.958 6.097 ( -7.457 -2.024 2.378) 8.085 6.329 ( -4.133 2.362 -1.722) 5.062 6.556 ( -3.666 -2.246 -1.084) 4.434 7.036 ( 10.122 -7.490 1.095) 12.640 7.144 ( 2.556 -0.791 -2.920) 3.961 8.263 ( 2.251 5.472 -1.306) 6.059 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -0.000 -0.492 -6.658) 6.676 2.298 ( -0.000 6.035 -2.785) 6.647 3.099 ( 0.000 2.963 1.200) 3.197 3.246 ( -0.000 4.008 -2.544) 4.747 4.050 ( 0.000 -5.197 4.131) 6.639 4.700 ( -0.000 13.547 4.271) 14.204 6.017 ( 0.000 6.321 2.464) 6.785 6.324 ( -0.000 5.919 -0.328) 5.928 6.456 ( -0.000 1.106 -1.886) 2.187 6.794 ( 0.000 -7.159 -1.071) 7.238 7.312 ( 0.000 -5.322 -1.605) 5.559 8.390 ( -0.000 -1.910 -2.097) 2.837 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 1.630 0.926 -3.030) 3.563 2.452 ( 12.193 3.638 -2.468) 12.961 3.161 ( 4.073 2.015 0.640) 4.589 3.288 ( 1.927 2.210 0.203) 2.939 4.007 ( -0.999 -4.048 3.141) 5.220 4.782 ( -4.380 8.744 1.021) 9.832 6.123 ( 5.371 4.006 1.736) 6.921 6.353 ( -2.845 6.170 -1.333) 6.924 6.505 ( 3.873 2.261 -0.603) 4.525 6.725 ( 0.795 -7.621 -0.327) 7.669 7.256 ( -1.057 -3.300 -1.620) 3.825 8.340 ( -3.493 -0.968 -0.967) 3.751 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 3.879 1.467 -0.421) 4.169 2.738 ( 17.877 2.982 -1.543) 18.190 3.267 ( 6.423 1.084 -2.012) 6.817 3.359 ( 4.678 0.056 4.832) 6.726 3.959 ( -1.658 -2.622 1.711) 3.543 4.725 ( -9.272 3.827 -1.794) 10.190 6.251 ( 5.209 1.214 0.226) 5.353 6.361 ( -1.796 4.476 -0.391) 4.839 6.594 ( 2.708 2.119 -0.339) 3.455 6.700 ( 5.647 -4.860 0.357) 7.459 7.208 ( -1.463 -1.192 -1.157) 2.213 8.254 ( -5.783 -0.239 -0.032) 5.788 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 3.328 0.329 0.266) 3.355 3.042 ( 14.700 0.392 -1.519) 14.783 3.358 ( 3.448 1.247 -3.169) 4.846 3.500 ( 12.540 -2.853 6.240) 14.294 3.916 ( -1.591 -0.789 0.342) 1.808 4.553 ( -12.701 1.188 -1.866) 12.892 6.313 ( 2.095 1.252 -2.099) 3.219 6.364 ( -0.166 -1.710 2.284) 2.858 6.609 ( -1.265 0.963 -0.284) 1.615 6.848 ( 11.921 0.319 0.726) 11.947 7.180 ( -1.195 0.388 -0.510) 1.356 8.146 ( -6.789 -0.082 0.114) 6.791 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 1.835 -1.132 0.196) 2.165 3.180 ( 6.478 -7.501 -1.533) 10.029 3.377 ( -1.585 0.415 -0.376) 1.681 3.745 ( 16.914 -3.659 -0.532) 17.313 3.910 ( 0.799 2.551 -0.038) 2.673 4.342 ( -13.222 1.696 1.651) 13.433 6.346 ( 0.426 -2.326 2.614) 3.525 6.357 ( 3.609 -1.005 -2.607) 4.565 6.579 ( -3.981 2.033 0.430) 4.491 7.040 ( 9.085 -0.487 1.018) 9.155 7.162 ( -1.578 -0.095 -0.026) 1.581 8.046 ( -4.733 1.253 -0.333) 4.907 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 0.561 -1.802 0.188) 1.897 3.122 ( -0.502 -12.949 -0.998) 12.997 3.324 ( -3.485 -1.039 -0.346) 3.653 3.882 ( 4.320 -1.686 -0.673) 4.686 4.041 ( 9.910 1.002 -5.040) 11.163 4.178 ( -9.847 3.737 6.204) 12.223 6.344 ( 1.950 -3.877 2.498) 5.007 6.398 ( 2.290 -1.052 -2.921) 3.858 6.537 ( -3.317 3.529 0.861) 4.919 7.085 ( -3.000 -5.948 1.155) 6.761 7.134 ( 1.030 -0.598 -0.156) 1.201 8.043 ( 1.183 5.028 -0.351) 5.178 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -0.414 -1.134 0.182) 1.221 2.931 ( -6.814 -12.115 -0.427) 13.907 3.253 ( -2.142 -3.364 -0.297) 3.999 3.925 ( 1.667 0.581 0.537) 1.845 4.050 ( -6.311 2.105 6.544) 9.332 4.206 ( 5.831 0.221 -6.421) 8.677 6.309 ( -3.084 -4.508 0.694) 5.506 6.400 ( 0.416 0.403 -0.503) 0.767 6.564 ( 1.933 2.197 -0.263) 2.938 6.934 ( -4.818 -8.407 0.504) 9.703 7.126 ( -0.523 -1.417 -0.301) 1.540 8.155 ( 4.002 7.015 0.032) 8.076 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -1.796 0.510 -0.894) 2.070 2.683 ( -9.880 -8.429 -0.878) 13.017 3.189 ( -1.454 -3.788 0.435) 4.080 3.894 ( -9.032 4.320 -3.857) 10.730 4.053 ( 4.593 -2.174 11.727) 12.780 4.252 ( 2.051 0.304 -6.279) 6.612 6.181 ( -5.854 -5.569 0.981) 8.139 6.407 ( -1.687 2.851 -1.200) 3.524 6.587 ( -1.558 0.293 -0.335) 1.620 6.836 ( 3.717 -7.640 0.372) 8.505 7.104 ( 0.141 -1.436 -1.074) 1.798 8.281 ( 2.776 6.333 -0.180) 6.917 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -0.000 0.622 -1.272) 1.416 2.370 ( -0.000 2.649 -0.566) 2.709 3.143 ( -0.000 0.862 0.289) 0.910 3.290 ( 0.000 1.169 1.456) 1.867 3.991 ( 0.000 -2.800 2.215) 3.570 4.884 ( -0.000 4.113 -1.267) 4.304 6.103 ( -0.000 1.483 0.249) 1.504 6.463 ( -0.000 8.374 -0.502) 8.390 6.473 ( -0.000 1.185 -0.238) 1.209 6.641 ( 0.000 -8.260 0.559) 8.279 7.238 ( -0.000 -1.247 -1.593) 2.023 8.361 ( -0.000 -0.372 -0.199) 0.422 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 2.450 1.675 1.362) 3.266 2.493 ( 11.937 1.248 0.496) 12.012 3.177 ( 3.791 -0.456 -0.672) 3.877 3.321 ( 1.962 0.285 3.614) 4.122 3.967 ( -0.959 -1.408 0.904) 1.928 4.851 ( -4.637 -0.894 -3.632) 5.958 6.152 ( 5.252 -1.023 -1.144) 5.471 6.441 ( -3.310 1.467 0.549) 3.662 6.569 ( 2.715 -1.592 -0.132) 3.150 6.596 ( 2.591 1.632 1.351) 3.347 7.222 ( -0.991 0.689 -1.160) 1.674 8.333 ( -3.335 0.383 0.482) 3.391 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 2.960 0.089 1.632) 3.381 2.753 ( 16.815 -1.388 -0.060) 16.872 3.253 ( 6.759 -0.717 -2.771) 7.340 3.380 ( 3.629 -1.308 6.559) 7.609 3.941 ( -1.419 0.328 -0.342) 1.496 4.706 ( -7.741 -4.008 -3.766) 9.495 6.224 ( 5.508 -3.178 -2.244) 6.743 6.385 ( -2.436 -2.938 1.871) 4.250 6.597 ( 3.766 -1.171 0.019) 3.944 6.717 ( 5.157 5.648 1.936) 7.890 7.212 ( -1.536 2.091 -0.686) 2.684 8.260 ( -6.123 0.683 0.541) 6.185 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 2.443 -2.092 1.003) 3.369 2.943 ( 10.855 -9.388 -2.171) 14.514 3.364 ( 4.501 1.129 -2.756) 5.397 3.471 ( 10.121 -3.593 4.857) 11.787 3.935 ( -0.500 2.924 -0.811) 3.075 4.519 ( -8.373 -4.063 -0.650) 9.329 6.251 ( 3.471 -5.018 -2.456) 6.577 6.338 ( 0.085 -2.883 2.010) 3.516 6.637 ( 0.294 0.865 0.993) 1.349 6.889 ( 8.645 3.208 2.270) 9.496 7.202 ( -2.237 2.263 -0.499) 3.221 8.156 ( -6.768 1.243 0.048) 6.881 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 1.949 -3.427 0.603) 3.989 2.938 ( 4.860 -15.058 -2.137) 15.967 3.363 ( -2.359 -2.241 1.034) 3.414 3.662 ( 13.708 -3.866 -2.893) 14.533 3.984 ( 1.804 5.341 -1.906) 5.951 4.361 ( -7.281 -1.952 3.883) 8.479 6.246 ( 3.374 -5.559 -1.560) 6.687 6.342 ( 2.341 -2.398 0.999) 3.497 6.629 ( -2.694 1.331 1.594) 3.402 7.033 ( 4.529 -0.581 3.009) 5.468 7.164 ( -4.078 1.110 -1.087) 4.364 8.094 ( -2.414 3.707 -0.280) 4.433 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 1.937 -3.076 0.920) 3.750 2.833 ( 1.291 -15.889 -0.138) 15.942 3.278 ( -3.962 -3.282 -0.112) 5.146 3.802 ( 9.511 -5.649 -0.833) 11.093 4.060 ( 2.070 4.703 -7.879) 9.406 4.266 ( -5.131 0.589 7.179) 8.844 6.245 ( 2.881 -6.152 -1.634) 6.987 6.364 ( 2.620 -2.131 1.066) 3.541 6.597 ( -2.176 0.450 1.537) 2.701 6.994 ( -7.448 -2.154 1.067) 7.826 7.124 ( -0.832 -0.235 0.294) 0.913 8.154 ( 3.284 6.005 0.028) 6.844 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 0.000 3.603 4.216) 5.546 2.393 ( 0.000 -0.837 1.825) 2.008 3.132 ( -0.000 -1.669 -0.772) 1.839 3.319 ( 0.000 0.005 4.784) 4.784 3.968 ( -0.000 -0.108 -0.251) 0.273 4.838 ( -0.000 -6.364 -6.082) 8.803 6.079 ( -0.000 -3.089 -2.146) 3.761 6.472 ( 0.000 -8.134 0.586) 8.155 6.491 ( 0.000 0.065 1.598) 1.599 6.649 ( -0.000 9.186 1.197) 9.264 7.244 ( -0.000 2.564 -0.919) 2.724 8.373 ( 0.000 1.301 1.008) 1.646 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -0.457 0.993 3.920) 4.070 2.496 ( 11.528 -2.325 1.900) 11.913 3.141 ( 3.822 -2.276 -1.285) 4.630 3.348 ( 1.661 -0.791 6.822) 7.066 3.966 ( -0.742 1.630 -1.345) 2.240 4.708 ( -2.858 -10.339 -6.814) 12.708 6.080 ( 5.081 -4.964 -2.589) 7.560 6.379 ( -1.691 -6.671 1.343) 7.012 6.520 ( 2.938 -1.031 0.965) 3.260 6.754 ( 1.209 8.771 2.510) 9.203 7.264 ( -1.197 4.044 -0.755) 4.284 8.360 ( -3.818 1.866 1.042) 4.376 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 0.741 -2.516 2.561) 3.665 2.652 ( 11.457 -9.273 -1.601) 14.826 3.221 ( 8.474 -0.980 -1.848) 8.728 3.388 ( 1.895 -2.519 7.831) 8.441 3.975 ( -0.619 4.076 -1.584) 4.417 4.530 ( -2.907 -11.329 -4.574) 12.559 6.112 ( 5.621 -6.349 -3.046) 9.010 6.306 ( -0.457 -5.311 2.188) 5.762 6.577 ( 4.739 -1.542 0.603) 5.020 6.872 ( 2.286 7.823 3.858) 9.018 7.275 ( -2.428 4.821 -0.972) 5.485 8.290 ( -6.840 2.058 0.684) 7.175 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 1.559 -4.888 1.399) 5.318 2.671 ( 7.446 -16.235 -3.361) 18.175 3.354 ( 3.966 -1.599 0.255) 4.284 3.417 ( 7.429 -4.598 2.693) 9.142 4.020 ( 0.347 6.286 -1.354) 6.440 4.384 ( -1.261 -9.322 -0.806) 9.442 6.120 ( 4.191 -6.464 -3.399) 8.421 6.279 ( 1.693 -4.016 2.684) 5.119 6.625 ( 2.562 -2.906 1.072) 4.020 7.002 ( 3.167 6.002 4.603) 8.200 7.262 ( -4.443 4.601 -1.800) 6.644 8.198 ( -6.141 2.968 0.583) 6.846 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 3.098 -5.388 1.565) 6.409 2.605 ( 5.791 -17.646 -1.211) 18.611 3.306 ( -3.293 -4.407 1.462) 5.693 3.555 ( 11.577 -6.005 -1.144) 13.092 4.084 ( 0.272 6.371 -3.686) 7.366 4.304 ( -0.024 -5.610 1.883) 5.918 6.117 ( 4.013 -6.359 -3.139) 8.149 6.293 ( 2.941 -3.209 2.341) 4.943 6.608 ( -0.525 -4.442 1.461) 4.706 7.096 ( -0.692 4.546 4.995) 6.789 7.194 ( -7.097 3.216 -2.883) 8.308 8.179 ( -0.463 4.685 1.057) 4.825 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 0.000 1.154 4.547) 4.691 2.346 ( 0.000 -5.775 2.146) 6.161 3.079 ( 0.000 -2.904 -0.757) 3.001 3.348 ( 0.000 -1.484 8.605) 8.732 3.991 ( -0.000 3.475 -2.138) 4.080 4.577 ( -0.000 -15.455 -8.645) 17.709 5.971 ( 0.000 -6.314 -2.246) 6.702 6.328 ( 0.000 -6.507 0.274) 6.513 6.490 ( 0.000 -1.214 1.553) 1.971 6.840 ( 0.000 8.672 3.495) 9.349 7.320 ( -0.000 5.621 -0.814) 5.680 8.421 ( -0.000 2.933 1.034) 3.110 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -2.052 -4.494 3.033) 5.797 2.393 ( 7.603 -9.377 -0.896) 12.106 3.090 ( 4.687 -2.355 -0.093) 5.246 3.364 ( 1.076 -3.263 9.282) 9.897 4.025 ( -0.323 5.536 -1.667) 5.791 4.387 ( 0.287 -17.362 -7.859) 19.061 5.943 ( 4.783 -7.436 -1.850) 9.033 6.269 ( -0.444 -4.550 0.668) 4.620 6.501 ( 2.464 -1.570 0.670) 2.998 6.938 ( 0.864 7.559 4.840) 9.017 7.364 ( -1.647 6.739 -1.175) 7.036 8.417 ( -4.472 3.387 0.661) 5.649 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -0.257 -6.880 1.827) 7.123 2.373 ( 6.937 -17.078 -4.425) 18.956 3.184 ( 8.734 -2.934 0.819) 9.250 3.363 ( 0.452 -5.238 6.711) 8.525 4.072 ( 0.326 3.658 0.375) 3.692 4.238 ( 2.737 -12.405 -6.029) 14.062 5.956 ( 5.813 -7.816 -2.140) 9.973 6.236 ( 0.290 -2.625 1.717) 3.150 6.537 ( 3.657 -2.752 0.143) 4.579 7.044 ( 1.762 6.412 5.682) 8.747 7.383 ( -3.701 7.275 -2.054) 8.417 8.350 ( -7.267 3.676 0.802) 8.184 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 2.521 -9.221 1.049) 9.617 2.307 ( 7.680 -18.357 -2.393) 20.042 3.298 ( 4.436 -5.703 3.463) 8.012 3.321 ( 4.068 -6.536 1.358) 7.817 4.088 ( 4.360 -7.534 1.087) 8.772 4.218 ( 1.254 2.699 -5.671) 6.404 5.967 ( 5.078 -7.243 -2.660) 9.237 6.236 ( 1.331 -1.631 2.099) 2.973 6.549 ( 1.711 -4.930 0.542) 5.246 7.149 ( 1.594 5.099 5.259) 7.496 7.360 ( -6.740 7.312 -3.104) 10.418 8.278 ( -5.464 4.394 2.169) 7.339 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 0.000 -12.208 -0.568) 12.221 2.246 ( 0.000 -8.231 0.039) 8.231 3.027 ( 0.000 -2.312 0.788) 2.443 3.337 ( 0.000 -6.769 9.171) 11.399 4.066 ( 0.000 -1.753 -0.387) 1.795 4.190 ( -0.000 -11.015 -8.368) 13.833 5.822 ( 0.000 -7.930 -0.473) 7.944 6.240 ( 0.000 -2.328 -0.093) 2.329 6.468 ( 0.000 -1.364 0.227) 1.383 7.013 ( 0.000 5.908 5.870) 8.329 7.447 ( -0.000 8.170 -1.393) 8.288 8.495 ( -0.000 4.245 -0.017) 4.245 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 3.474 -13.775 -1.027) 14.244 2.123 ( -0.934 -15.230 -4.019) 15.779 3.047 ( 4.312 -3.069 2.230) 5.743 3.290 ( 2.214 -10.742 5.955) 12.480 3.930 ( 2.740 -20.186 -3.106) 20.607 4.211 ( -0.128 9.851 -1.835) 10.021 5.784 ( 4.384 -8.098 0.146) 9.209 6.227 ( -0.189 0.035 0.421) 0.463 6.471 ( 1.681 -1.420 -0.579) 2.275 7.090 ( 1.157 4.111 6.560) 7.827 7.508 ( -2.251 9.106 -1.921) 9.574 8.496 ( -4.710 4.543 -0.268) 6.550 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 2.314 -19.881 -5.303) 20.705 2.020 ( 5.622 -13.672 0.363) 14.787 3.100 ( 7.216 -8.823 5.138) 12.502 3.248 ( 2.550 -9.063 1.390) 9.517 3.819 ( 7.668 -17.990 -2.415) 19.704 4.298 ( -1.335 10.698 -1.690) 10.913 5.796 ( 5.741 -7.632 -0.469) 9.561 6.234 ( -0.352 1.408 1.136) 1.844 6.481 ( 1.635 -2.674 -0.627) 3.196 7.171 ( 2.206 2.825 5.596) 6.645 7.532 ( -4.933 9.440 -2.537) 10.949 8.439 ( -6.898 4.766 1.276) 8.481 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 0.000 -17.950 -4.474) 18.499 1.976 ( 0.000 -17.652 -4.598) 18.241 3.000 ( 0.000 -1.472 2.218) 2.662 3.111 ( 0.000 -22.442 2.527) 22.583 3.710 ( 0.000 -17.737 -1.458) 17.797 4.322 ( -0.000 11.830 1.273) 11.898 5.671 ( 0.000 -7.786 1.830) 7.998 6.243 ( -0.000 2.555 0.164) 2.561 6.447 ( -0.000 -0.377 -1.255) 1.310 7.128 ( 0.000 1.697 7.427) 7.619 7.616 ( -0.000 10.216 -1.970) 10.404 8.580 ( -0.000 4.862 -1.513) 5.092 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 0.458 -22.545 -7.807) 23.863 1.805 ( 3.711 -17.642 -2.567) 18.210 2.884 ( 4.193 -24.623 3.173) 25.178 3.064 ( 6.836 -5.432 -0.182) 8.733 3.570 ( 2.057 -14.468 -0.322) 14.617 4.431 ( -1.353 11.422 1.579) 11.609 5.641 ( 3.956 -7.143 1.910) 8.386 6.273 ( -0.590 4.035 0.631) 4.126 6.446 ( 0.439 -0.346 -1.561) 1.658 7.171 ( 1.508 0.138 7.006) 7.168 7.688 ( -2.828 10.529 -2.160) 11.114 8.584 ( -4.247 4.799 -1.067) 6.496 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 0.000 -21.721 -7.555) 22.997 1.536 ( 0.000 -23.221 -7.646) 24.448 2.521 ( 0.000 -36.895 -0.189) 36.895 2.991 ( 0.000 -1.079 2.398) 2.630 3.432 ( 0.000 -12.248 0.248) 12.250 4.560 ( -0.000 10.667 2.926) 11.061 5.549 ( 0.000 -6.386 3.219) 7.152 6.327 ( -0.000 5.270 0.667) 5.312 6.442 ( -0.000 0.978 -2.000) 2.226 7.173 ( 0.000 -1.627 7.958) 8.122 7.810 ( -0.000 10.844 -1.930) 11.014 8.658 ( -0.000 4.405 -2.646) 5.139 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 0.000 -0.000 24.092) 24.092 0.460 ( 0.000 -0.000 24.092) 24.092 0.768 ( 0.000 -0.000 40.768) 40.768 2.948 ( -0.000 0.000 -2.334) 2.334 2.948 ( -0.000 0.000 -2.334) 2.334 5.324 ( -0.000 0.000 -11.018) 11.018 5.359 ( -0.000 0.000 -2.103) 2.103 5.359 ( -0.000 0.000 -2.103) 2.103 6.515 ( 0.000 -0.000 1.411) 1.411 6.515 ( 0.000 -0.000 1.411) 1.411 8.267 ( 0.000 -0.000 4.912) 4.912 8.813 ( -0.000 0.000 -1.493) 1.493 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 10.193 5.885 15.908) 19.789 0.703 ( 9.198 5.310 22.454) 24.839 1.275 ( 28.097 16.222 22.152) 39.284 2.960 ( 1.113 0.642 -2.043) 2.414 2.997 ( 5.571 3.217 -2.715) 6.983 4.857 ( -6.808 -3.931 -2.652) 8.297 5.403 ( 3.360 1.940 -1.408) 4.128 6.438 ( 27.434 15.839 -29.364) 43.195 6.491 ( -1.898 -1.096 1.099) 2.452 6.533 ( 6.486 3.745 -7.946) 10.919 8.227 ( -4.952 -2.859 5.465) 7.910 8.747 ( -4.581 -2.645 -0.679) 5.333 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 16.104 9.298 7.221) 19.948 1.017 ( 13.508 7.799 12.532) 20.008 1.954 ( 27.142 15.671 6.246) 31.958 2.984 ( 1.581 0.913 -1.623) 2.442 3.188 ( 11.796 6.811 1.178) 13.672 4.734 ( -4.171 -2.408 -3.912) 6.205 5.498 ( 5.382 3.107 -0.710) 6.255 6.443 ( -2.504 -1.446 0.713) 2.978 6.456 ( -3.777 -2.181 0.993) 4.473 6.892 ( 15.950 9.209 -20.431) 27.507 8.091 ( -8.484 -4.898 6.019) 11.498 8.611 ( -7.041 -4.065 -3.966) 9.046 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 17.274 9.973 2.543) 20.107 1.361 ( 14.732 8.505 3.466) 17.360 2.494 ( 21.128 12.198 -5.216) 24.948 3.019 ( 1.862 1.075 -1.076) 2.404 3.518 ( 15.807 9.126 6.850) 19.496 4.638 ( -3.696 -2.134 -1.031) 4.391 5.634 ( 6.739 3.891 0.115) 7.783 6.358 ( -4.693 -2.709 0.632) 5.455 6.393 ( -1.895 -1.094 0.138) 2.193 7.125 ( 9.034 5.216 -9.803) 14.314 7.894 ( -10.673 -6.162 6.152) 13.774 8.421 ( -7.627 -4.404 -7.493) 11.563 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 13.754 7.941 -2.680) 16.107 1.700 ( 16.081 9.284 -0.169) 18.569 2.889 ( 16.718 9.652 -8.116) 20.941 3.059 ( 1.855 1.071 -0.425) 2.183 3.880 ( 13.457 7.769 7.069) 17.071 4.564 ( -3.368 -1.945 3.356) 5.137 5.789 ( 6.633 3.830 1.208) 7.754 6.273 ( -2.564 -1.480 0.443) 2.993 6.368 ( 0.019 0.011 -0.737) 0.737 7.220 ( 1.487 0.859 -6.241) 6.473 7.644 ( -13.348 -7.706 4.447) 16.042 8.275 ( -2.425 -1.400 -6.842) 7.393 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 11.104 6.411 -5.392) 13.909 2.027 ( 13.232 7.640 -1.705) 15.374 3.096 ( 1.431 0.826 0.241) 1.670 3.207 ( 13.949 8.054 -7.224) 17.653 4.130 ( 7.258 4.190 3.853) 9.224 4.502 ( -3.818 -2.204 7.437) 8.645 5.923 ( 4.533 2.617 2.302) 5.718 6.258 ( 1.280 0.739 -0.197) 1.491 6.394 ( 2.616 1.510 -1.664) 3.448 7.172 ( -3.368 -1.944 -6.273) 7.380 7.337 ( -14.332 -8.274 2.580) 16.749 8.273 ( 2.800 1.617 -3.032) 4.432 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 7.575 4.373 -5.324) 10.239 2.273 ( 9.245 5.338 -2.284) 10.917 3.121 ( 0.576 0.333 0.741) 0.996 3.465 ( 11.109 6.414 -8.460) 15.366 4.228 ( 0.553 0.319 -0.651) 0.911 4.440 ( -3.676 -2.122 12.401) 13.108 6.001 ( 1.807 1.043 2.587) 3.324 6.325 ( 4.667 2.695 -1.100) 5.500 6.464 ( 3.701 2.137 -1.881) 4.669 6.999 ( -11.042 -6.375 -4.320) 13.463 7.122 ( -3.956 -2.284 1.920) 4.955 8.342 ( 3.225 1.862 -1.246) 3.927 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 4.371 2.524 -3.597) 6.198 2.420 ( 4.415 2.549 -1.920) 5.447 3.125 ( -0.438 -0.253 0.795) 0.942 3.648 ( 8.087 4.669 -12.592) 15.676 4.135 ( -7.153 -4.130 -2.215) 8.552 4.444 ( -0.712 -0.411 15.123) 15.145 6.024 ( -0.255 -0.147 2.050) 2.071 6.452 ( 6.504 3.755 -0.703) 7.543 6.529 ( 2.145 1.238 -1.412) 2.851 6.759 ( -8.557 -4.940 -2.303) 10.146 7.093 ( 0.351 0.202 2.376) 2.410 8.393 ( 1.528 0.882 -0.970) 2.013 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 1.655 0.955 -0.829) 2.083 2.454 ( -1.215 -0.702 -0.606) 1.529 3.108 ( -1.085 -0.626 0.166) 1.264 3.730 ( 1.794 1.036 -15.957) 16.091 3.981 ( -4.019 -2.320 0.887) 4.724 4.446 ( -3.694 -2.133 12.328) 13.045 6.003 ( -2.035 -1.175 1.111) 2.599 6.486 ( -5.726 -3.306 0.395) 6.624 6.544 ( -0.476 -0.275 -0.690) 0.882 6.724 ( 8.056 4.651 -2.746) 9.699 7.143 ( 3.169 1.829 3.702) 5.205 8.407 ( 0.128 0.074 -0.386) 0.414 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -2.640 -1.524 2.486) 3.934 2.360 ( -7.247 -4.184 1.286) 8.466 3.081 ( -1.180 -0.681 -0.883) 1.623 3.618 ( -6.782 -3.916 -6.321) 10.064 4.007 ( 5.407 3.122 -5.267) 8.168 4.331 ( -9.517 -5.495 7.185) 13.130 5.939 ( -3.837 -2.215 -0.134) 4.432 6.341 ( -5.950 -3.435 -0.428) 6.884 6.510 ( -2.233 -1.289 0.194) 2.586 6.941 ( 10.408 6.009 -3.493) 12.515 7.251 ( 5.304 3.063 4.036) 7.335 8.411 ( 0.541 0.312 1.622) 1.738 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -12.648 -7.302 3.173) 14.945 2.197 ( -9.548 -5.513 5.100) 12.148 3.052 ( -1.123 -0.649 -1.720) 2.154 3.428 ( -9.875 -5.701 0.337) 11.408 4.062 ( -15.405 -8.894 1.984) 17.899 4.151 ( 8.767 5.062 -6.829) 12.211 5.832 ( -5.479 -3.163 -1.532) 6.509 6.245 ( -2.141 -1.236 -0.575) 2.539 6.460 ( -2.097 -1.211 1.123) 2.669 7.123 ( 6.569 3.793 -5.834) 9.569 7.405 ( 7.468 4.312 3.217) 9.204 8.455 ( 2.711 1.565 4.130) 5.182 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -16.616 -9.593 5.088) 19.849 1.924 ( -16.135 -9.315 6.586) 19.760 3.021 ( -1.081 -0.624 -2.172) 2.505 3.115 ( -20.221 -11.675 1.588) 23.403 3.708 ( -14.596 -8.427 -0.885) 16.878 4.349 ( 10.217 5.899 -4.613) 12.668 5.692 ( -6.224 -3.593 -2.660) 7.663 6.246 ( 2.292 1.323 -0.572) 2.707 6.433 ( -0.617 -0.356 1.774) 1.912 7.194 ( 1.738 1.003 -6.725) 7.018 7.598 ( 8.965 5.176 1.851) 10.516 8.552 ( 4.360 2.517 4.556) 6.790 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 0.000 19.932 14.370) 24.572 0.842 ( 0.000 16.262 17.749) 24.072 1.270 ( 0.000 23.886 27.572) 36.480 2.924 ( -0.000 -0.037 -3.294) 3.294 3.015 ( -0.000 7.384 -2.531) 7.805 4.843 ( 0.000 -9.646 -3.058) 10.119 5.343 ( -0.000 1.336 -2.882) 3.176 6.360 ( -0.000 41.119 -34.214) 53.492 6.494 ( 0.000 -2.600 0.840) 2.733 6.524 ( 0.000 -0.810 1.826) 1.998 8.241 ( 0.000 -6.127 5.798) 8.436 8.765 ( -0.000 -2.584 -1.475) 2.975 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 0.152 22.310 9.559) 24.272 1.052 ( 3.068 16.260 16.996) 23.721 1.775 ( 18.225 23.758 11.343) 32.020 2.953 ( 3.418 0.974 -2.415) 4.297 3.121 ( 4.579 9.517 -0.757) 10.588 4.732 ( -2.006 -5.810 -4.825) 7.814 5.417 ( 6.109 2.074 -2.055) 6.770 6.451 ( -1.535 -3.770 0.581) 4.111 6.499 ( -2.148 -1.056 1.570) 2.862 6.702 ( 12.090 19.319 -23.716) 32.891 8.151 ( -4.166 -8.467 6.005) 11.185 8.682 ( -5.784 -2.825 -3.053) 7.124 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 5.730 18.448 10.603) 22.036 1.338 ( 6.479 17.514 5.354) 19.426 2.297 ( 17.429 18.551 -3.217) 25.657 3.015 ( 1.788 3.430 -1.860) 4.292 3.377 ( 13.365 10.150 5.258) 17.587 4.638 ( -1.472 -4.917 -3.151) 6.023 5.555 ( 7.245 3.991 -1.031) 8.335 6.375 ( -2.633 -4.764 0.193) 5.447 6.447 ( -3.312 -0.180 1.128) 3.504 6.978 ( 11.032 8.799 -13.016) 19.197 7.987 ( -6.946 -9.435 6.141) 13.228 8.508 ( -9.205 -3.355 -5.869) 11.421 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 8.261 14.336 6.354) 17.724 1.636 ( 8.868 16.884 -0.942) 19.095 2.708 ( 15.353 14.428 -8.160) 22.594 3.067 ( 0.580 4.441 -1.574) 4.747 3.742 ( 14.881 8.976 7.330) 18.861 4.569 ( -0.783 -4.735 0.555) 4.831 5.723 ( 7.203 5.650 0.081) 9.155 6.286 ( -2.340 -4.058 -0.027) 4.685 6.405 ( -2.545 1.677 0.435) 3.079 7.146 ( 5.989 2.003 -7.752) 9.999 7.775 ( -9.791 -9.619 5.547) 14.804 8.312 ( -6.962 -2.229 -6.885) 10.042 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 8.321 10.401 -1.497) 13.404 1.950 ( 9.194 15.517 0.100) 18.036 3.052 ( 12.501 11.202 -6.821) 18.118 3.115 ( 0.934 5.543 -1.039) 5.717 4.043 ( 9.919 5.085 4.561) 12.044 4.520 ( -0.583 -4.960 4.447) 6.687 5.893 ( 5.395 6.326 1.423) 8.435 6.236 ( 0.365 -1.952 -0.558) 2.063 6.402 ( -0.690 3.505 -0.449) 3.601 7.164 ( -0.426 -2.417 -6.750) 7.183 7.500 ( -13.394 -8.906 3.150) 16.390 8.232 ( 0.805 -0.277 -3.567) 3.667 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 7.107 7.188 -3.824) 10.808 2.226 ( 6.743 13.512 -0.690) 15.117 3.139 ( -0.322 3.203 -0.080) 3.220 3.353 ( 9.869 11.201 -6.614) 16.328 4.197 ( 3.906 0.957 1.189) 4.194 4.473 ( -0.998 -5.550 8.043) 9.823 6.021 ( 1.678 6.138 2.504) 6.838 6.261 ( 3.869 0.200 -1.474) 4.145 6.447 ( 1.509 4.407 -1.132) 4.794 7.066 ( -5.088 -4.502 -7.100) 9.827 7.219 ( -10.713 -5.248 3.506) 12.434 8.277 ( 4.448 -0.373 -1.106) 4.599 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 4.898 4.408 -3.798) 7.606 2.424 ( 2.739 11.336 -1.229) 11.727 3.153 ( -1.356 2.271 0.736) 2.746 3.560 ( 6.112 8.789 -9.598) 14.377 4.179 ( -3.913 -3.932 -3.219) 6.414 4.465 ( 1.746 -3.531 13.560) 14.121 6.082 ( -1.963 5.559 2.416) 6.371 6.354 ( 6.560 1.341 -1.507) 6.863 6.519 ( 2.217 4.110 -1.054) 4.787 6.860 ( -9.682 -5.018 -3.805) 11.550 7.110 ( -1.843 -0.533 2.640) 3.264 8.338 ( 3.944 -1.645 -0.817) 4.351 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 2.814 1.808 -2.650) 4.267 2.524 ( -2.336 8.725 -0.656) 9.056 3.143 ( -2.200 1.573 0.790) 2.818 3.668 ( 2.706 5.323 -14.027) 15.246 4.030 ( -5.521 -5.061 -1.331) 7.607 4.502 ( -0.241 -2.569 13.551) 13.794 6.081 ( -4.477 4.348 1.673) 6.461 6.463 ( 4.352 -1.261 -0.235) 4.537 6.578 ( -0.909 1.973 -0.493) 2.227 6.694 ( -2.287 1.628 -2.987) 4.099 7.125 ( 1.805 1.061 3.150) 3.783 8.367 ( 2.556 -2.886 -0.874) 3.952 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 0.472 -1.299 -0.839) 1.617 2.503 ( -8.211 4.733 1.277) 9.563 3.120 ( -2.521 2.049 0.005) 3.249 3.646 ( -3.130 -0.704 -12.715) 13.114 3.958 ( 1.192 -0.039 -0.862) 1.472 4.455 ( -6.649 -3.713 10.073) 12.628 6.028 ( -6.232 2.383 0.796) 6.720 6.405 ( -5.566 -4.090 -0.304) 6.913 6.541 ( -2.060 0.602 -0.360) 2.176 6.832 ( 8.826 7.251 -2.832) 11.768 7.201 ( 4.425 1.563 3.540) 5.879 8.374 ( 2.433 -3.225 0.149) 4.042 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -4.301 -4.162 0.618) 6.016 2.344 ( -13.515 -1.403 3.934) 14.145 3.100 ( -3.074 3.393 -1.065) 4.701 3.514 ( -6.217 -3.365 -5.294) 8.832 4.040 ( 6.782 3.323 -4.020) 8.555 4.256 ( -14.403 -5.964 5.612) 16.568 5.926 ( -7.502 0.461 -0.154) 7.518 6.283 ( -4.370 -2.045 -0.690) 4.874 6.503 ( -3.072 0.605 0.495) 3.170 7.031 ( 7.755 5.666 -4.996) 10.826 7.323 ( 6.875 1.874 3.310) 7.857 8.403 ( 4.147 -2.316 2.077) 5.185 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -17.739 -5.691 4.681) 19.208 2.091 ( -10.642 -7.095 3.011) 13.140 3.068 ( -4.132 3.016 -2.322) 5.618 3.323 ( -12.199 -4.656 -1.084) 13.102 3.909 ( -18.649 -7.351 1.290) 20.087 4.215 ( 9.979 4.653 -2.698) 11.337 5.790 ( -8.328 -0.446 -1.148) 8.419 6.232 ( -0.108 0.151 -0.664) 0.689 6.463 ( -2.425 0.608 1.159) 2.755 7.150 ( 3.414 2.974 -6.439) 7.871 7.488 ( 9.197 2.514 2.388) 9.829 8.482 ( 6.071 -1.188 2.752) 6.770 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 0.000 22.385 9.123) 24.173 1.259 ( 0.000 17.285 10.771) 20.366 1.929 ( -0.000 30.312 11.327) 32.359 2.910 ( -0.000 0.822 -3.294) 3.395 3.191 ( -0.000 11.576 -0.657) 11.594 4.669 ( -0.000 -6.958 -4.442) 8.255 5.382 ( -0.000 4.482 -2.241) 5.011 6.423 ( 0.000 -4.867 0.427) 4.886 6.508 ( 0.000 -1.700 1.486) 2.257 6.733 ( -0.000 18.418 -18.991) 26.456 8.107 ( 0.000 -11.014 5.630) 12.369 8.697 ( -0.000 -2.933 -3.918) 4.894 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.981 19.389 5.891) 20.288 1.489 ( 0.646 19.313 9.703) 21.623 2.297 ( 6.616 25.916 -1.180) 26.774 2.973 ( 5.774 2.462 -2.287) 6.680 3.346 ( 4.845 13.070 3.324) 14.330 4.586 ( -0.380 -6.586 -2.877) 7.197 5.481 ( 5.790 5.711 -1.253) 8.229 6.362 ( -1.482 -5.210 0.401) 5.432 6.484 ( -1.377 -1.210 1.036) 2.105 6.887 ( 6.023 10.914 -12.368) 17.560 7.983 ( -3.101 -12.033 5.209) 13.474 8.598 ( -6.353 -3.161 -5.442) 8.943 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 2.374 15.771 0.158) 15.950 1.715 ( 3.177 19.982 9.578) 22.386 2.631 ( 9.564 19.462 -8.049) 23.130 3.082 ( 3.278 4.522 -3.117) 6.396 3.634 ( 11.420 12.387 6.813) 18.173 4.517 ( 0.210 -6.419 0.060) 6.423 5.658 ( 7.713 7.205 -0.114) 10.555 6.282 ( -2.212 -4.518 0.158) 5.033 6.457 ( -1.523 0.749 0.434) 1.752 7.038 ( 6.431 3.480 -7.691) 10.612 7.812 ( -5.261 -11.782 4.936) 13.815 8.412 ( -9.267 -2.545 -6.538) 11.623 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 3.353 12.127 -0.643) 12.599 2.010 ( 5.513 19.745 5.101) 21.125 2.956 ( 11.333 15.564 -6.873) 20.443 3.156 ( 1.251 5.730 -2.528) 6.386 3.941 ( 10.137 7.815 3.986) 13.406 4.469 ( 0.854 -6.530 3.208) 7.325 5.863 ( 7.151 8.420 1.019) 11.094 6.216 ( -1.024 -2.774 -0.405) 2.985 6.455 ( -1.000 3.294 -0.210) 3.449 7.101 ( 2.602 -2.134 -6.337) 7.174 7.605 ( -8.439 -10.429 3.825) 13.950 8.245 ( -5.062 -1.177 -4.753) 7.043 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 4.417 9.190 -1.659) 10.331 2.295 ( 4.549 18.601 2.935) 19.372 3.173 ( 1.519 5.403 -2.562) 6.170 3.306 ( 8.511 13.847 -3.769) 16.685 4.130 ( 5.840 2.270 1.052) 6.353 4.428 ( 0.503 -7.381 4.846) 8.844 6.052 ( 4.443 8.581 2.367) 9.948 6.202 ( 1.968 -0.586 -1.672) 2.648 6.485 ( -0.292 4.996 -0.645) 5.046 7.056 ( -1.386 -4.087 -6.341) 7.670 7.359 ( -10.898 -7.222 2.504) 13.311 8.203 ( 1.900 -1.441 -1.390) 2.760 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 3.685 6.485 -1.981) 7.717 2.529 ( 1.742 17.022 1.391) 17.167 3.209 ( -1.264 3.984 -0.107) 4.181 3.547 ( 5.346 12.381 -6.234) 14.857 4.179 ( -1.029 -2.244 -2.714) 3.669 4.395 ( 3.767 -7.557 8.927) 12.287 6.173 ( 0.249 6.467 2.565) 6.962 6.267 ( 4.972 2.802 -2.090) 6.078 6.531 ( 0.608 4.243 -0.529) 4.319 6.942 ( -6.006 -3.353 -5.430) 8.763 7.168 ( -5.837 -2.394 2.786) 6.896 8.238 ( 4.379 -3.168 -0.315) 5.414 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 1.958 3.820 -2.001) 4.736 2.683 ( -2.491 14.875 0.821) 15.104 3.212 ( -2.668 3.112 1.100) 4.244 3.672 ( 0.481 8.616 -10.383) 13.501 4.057 ( -5.139 -6.018 -3.333) 8.587 4.464 ( 5.643 -4.522 11.557) 13.633 6.212 ( -3.195 5.367 1.217) 6.363 6.379 ( 4.871 2.339 -0.718) 5.451 6.582 ( 1.821 1.680 0.023) 2.477 6.789 ( -7.440 1.362 -3.192) 8.210 7.127 ( -0.141 0.535 2.336) 2.400 8.269 ( 3.976 -4.920 -0.596) 6.354 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 0.097 1.047 -1.585) 1.902 2.723 ( -8.354 10.442 1.691) 13.479 3.197 ( -2.899 3.622 1.169) 4.784 3.662 ( -3.568 2.122 -13.018) 13.664 3.946 ( -0.994 -2.645 -0.225) 2.834 4.513 ( -0.049 -3.527 9.566) 10.196 6.174 ( -6.583 3.437 0.837) 7.474 6.422 ( -0.598 -2.594 -0.423) 2.696 6.595 ( -1.889 1.915 0.182) 2.696 6.785 ( 3.123 7.766 -2.648) 8.780 7.163 ( 2.449 0.938 2.520) 3.637 8.277 ( 3.642 -5.768 -0.484) 6.839 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -2.286 -1.716 -0.864) 2.986 2.603 ( -14.533 3.125 3.256) 15.218 3.199 ( -3.086 6.169 0.469) 6.914 3.548 ( -4.616 -2.593 -8.641) 10.134 3.969 ( 3.865 1.785 -1.217) 4.428 4.430 ( -8.792 -4.018 6.073) 11.416 6.073 ( -8.163 1.276 0.978) 8.320 6.338 ( -4.638 -2.327 -1.116) 5.307 6.579 ( -3.568 3.205 0.367) 4.810 6.948 ( 7.243 6.809 -4.140) 10.769 7.240 ( 5.074 0.316 2.813) 5.810 8.292 ( 4.908 -5.130 0.455) 7.114 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -6.284 -4.141 -0.062) 7.526 2.333 ( -18.790 -2.246 4.069) 19.357 3.193 ( -5.567 6.398 -1.121) 8.555 3.415 ( -5.490 -3.829 -4.462) 8.044 4.084 ( 5.153 2.620 -2.291) 6.218 4.188 ( -14.487 -3.481 4.858) 15.671 5.941 ( -8.977 0.705 1.004) 9.060 6.251 ( -2.830 -0.696 -1.421) 3.242 6.536 ( -4.474 1.913 0.427) 4.885 7.097 ( 5.081 4.728 -5.762) 9.021 7.361 ( 8.192 0.128 2.821) 8.665 8.350 ( 6.874 -3.815 0.660) 7.889 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -0.000 16.030 4.112) 16.549 1.694 ( -0.000 19.143 4.787) 19.732 2.518 ( -0.000 26.707 -4.184) 27.033 2.920 ( -0.000 1.967 -2.007) 2.810 3.462 ( -0.000 15.680 4.934) 16.438 4.516 ( 0.000 -7.003 -0.773) 7.045 5.491 ( -0.000 7.691 -0.497) 7.707 6.327 ( 0.000 -4.966 0.779) 5.027 6.481 ( 0.000 -1.693 0.495) 1.764 6.903 ( -0.000 8.466 -9.248) 12.538 7.899 ( 0.000 -13.134 4.084) 13.754 8.604 ( -0.000 -3.405 -6.022) 6.918 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 1.360 14.625 -0.983) 14.721 1.889 ( 1.679 16.718 5.280) 17.612 2.722 ( 0.751 20.444 -8.140) 22.018 3.014 ( 6.900 3.393 -3.280) 8.360 3.675 ( 3.675 17.303 7.370) 19.163 4.451 ( 0.114 -6.837 2.020) 7.130 5.621 ( 5.436 8.833 0.565) 10.387 6.273 ( -1.419 -3.941 0.705) 4.248 6.468 ( 0.149 -0.645 -0.125) 0.674 6.969 ( 3.113 3.355 -6.112) 7.635 7.764 ( -2.120 -12.828 3.249) 13.402 8.500 ( -5.976 -2.975 -6.495) 9.314 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 1.405 10.833 -3.155) 11.370 2.134 ( 5.112 17.787 5.612) 19.339 2.941 ( 6.726 16.460 -5.845) 18.717 3.138 ( 5.115 3.643 -4.344) 7.635 3.923 ( 4.703 13.151 4.104) 14.557 4.404 ( 0.593 -6.088 4.640) 7.677 5.828 ( 7.615 9.618 1.409) 12.348 6.215 ( -1.780 -2.277 0.137) 2.894 6.480 ( 0.921 1.661 -0.712) 2.029 7.014 ( 2.916 -1.823 -4.652) 5.785 7.606 ( -3.714 -11.528 2.716) 12.412 8.334 ( -7.915 -1.650 -5.548) 9.806 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 2.895 8.720 -1.978) 9.399 2.415 ( 5.258 18.246 4.494) 19.513 3.175 ( 4.454 8.593 -4.471) 10.662 3.278 ( 8.740 9.428 -1.351) 12.927 4.081 ( 3.231 4.437 0.194) 5.492 4.374 ( -0.301 -4.774 4.560) 6.609 6.051 ( 6.775 9.525 2.125) 11.880 6.180 ( -0.408 -0.364 -0.836) 0.999 6.524 ( 1.090 3.949 -1.117) 4.246 7.001 ( 0.984 -4.227 -4.595) 6.320 7.431 ( -6.080 -9.101 1.826) 11.097 8.203 ( -4.124 -1.011 -2.628) 4.993 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 3.024 6.885 -0.980) 7.583 2.675 ( 3.073 17.821 3.410) 18.403 3.257 ( 0.615 4.735 -1.786) 5.097 3.549 ( 8.562 12.201 -1.509) 14.982 4.146 ( 3.296 -1.006 -0.145) 3.449 4.304 ( -2.289 -7.135 2.234) 7.819 6.189 ( 1.541 1.365 -0.178) 2.066 6.245 ( 4.819 8.169 1.005) 9.537 6.569 ( -0.218 3.532 -0.992) 3.675 6.957 ( -0.595 -1.799 -4.446) 4.833 7.253 ( -6.714 -5.045 1.496) 8.531 8.158 ( 0.810 -2.667 -0.301) 2.804 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 1.615 4.711 -0.739) 5.035 2.874 ( -0.526 16.549 2.627) 16.764 3.287 ( -1.691 3.765 0.485) 4.156 3.737 ( 1.169 10.567 -5.215) 11.842 4.087 ( -7.020 -4.266 -5.195) 9.720 4.297 ( 10.034 -7.890 8.147) 15.143 6.242 ( 2.675 2.099 -0.956) 3.532 6.378 ( 1.796 6.147 1.061) 6.492 6.571 ( -0.398 -0.595 -0.027) 0.717 6.918 ( -4.435 4.462 -3.310) 7.109 7.151 ( -2.123 -0.956 1.585) 2.817 8.155 ( 2.948 -5.166 0.030) 5.948 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -0.348 2.413 -0.766) 2.555 2.974 ( -6.452 12.826 2.530) 14.579 3.285 ( -2.474 3.571 1.924) 4.751 3.747 ( -6.942 5.159 -10.411) 13.535 3.934 ( -1.971 -4.219 -0.854) 4.735 4.429 ( 8.327 -4.969 6.941) 11.925 6.282 ( -1.662 2.193 -0.213) 2.760 6.410 ( -1.090 0.227 -0.620) 1.274 6.588 ( 3.195 -0.402 1.172) 3.427 6.891 ( -4.895 9.445 -2.081) 10.839 7.152 ( 0.806 0.689 1.272) 1.656 8.151 ( 3.573 -6.587 -0.211) 7.497 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -2.329 0.321 -0.723) 2.460 2.893 ( -13.888 4.435 2.888) 14.862 3.310 ( -1.427 6.683 2.324) 7.218 3.598 ( -7.570 -0.958 -7.876) 10.966 3.931 ( 2.152 1.013 -0.394) 2.410 4.480 ( 0.371 -4.224 3.608) 5.567 6.214 ( -7.042 0.468 1.184) 7.156 6.374 ( -2.258 -1.397 -1.466) 3.033 6.643 ( 1.108 1.606 0.375) 1.987 6.937 ( 0.378 9.087 -2.777) 9.509 7.183 ( 2.375 -0.515 1.587) 2.902 8.157 ( 4.627 -5.755 0.029) 7.384 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -4.769 -1.276 -0.838) 5.007 2.642 ( -18.191 -1.112 2.967) 18.465 3.348 ( -3.283 6.387 1.098) 7.265 3.450 ( -6.340 -1.737 -4.090) 7.742 4.011 ( 5.245 2.838 0.397) 5.976 4.375 ( -8.765 -3.878 1.280) 9.669 6.094 ( -7.919 0.220 2.281) 8.244 6.301 ( -4.177 -0.493 -2.018) 4.665 6.632 ( -3.973 1.211 -0.443) 4.177 7.045 ( 4.515 5.855 -4.694) 8.758 7.242 ( 5.723 -1.924 2.538) 6.549 8.202 ( 6.084 -3.576 -0.155) 7.059 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -0.000 13.327 -1.225) 13.383 2.010 ( -0.000 11.949 -2.181) 12.146 2.887 ( -0.000 17.068 -10.941) 20.274 2.964 ( -0.000 3.167 0.052) 3.167 3.856 ( 0.000 19.449 7.872) 20.982 4.397 ( 0.000 -6.086 4.995) 7.873 5.667 ( -0.000 9.777 1.514) 9.893 6.257 ( 0.000 -2.489 0.933) 2.659 6.453 ( -0.000 -0.949 -0.846) 1.272 6.952 ( -0.000 0.970 -4.097) 4.211 7.665 ( 0.000 -12.452 1.665) 12.563 8.502 ( -0.000 -2.991 -6.461) 7.120 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -0.882 9.183 -4.559) 10.291 2.178 ( 7.482 11.644 -1.484) 13.920 2.997 ( 2.145 11.753 -3.100) 12.343 3.065 ( 5.035 5.051 -4.930) 8.669 4.046 ( -0.416 13.530 4.331) 14.212 4.375 ( 0.031 -1.682 7.627) 7.810 5.816 ( 5.308 9.967 2.179) 11.501 6.230 ( -1.534 -0.690 0.421) 1.734 6.459 ( 1.798 0.261 -1.321) 2.246 6.948 ( 1.230 -2.457 -2.672) 3.833 7.541 ( -1.390 -11.106 0.661) 11.212 8.412 ( -4.989 -2.090 -5.594) 7.781 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 1.976 6.969 -3.400) 8.002 2.449 ( 10.311 12.708 -0.034) 16.365 3.172 ( 3.639 6.284 -5.193) 8.928 3.188 ( 9.176 7.313 1.257) 11.801 4.105 ( -1.175 0.987 1.891) 2.435 4.407 ( -2.224 5.392 5.198) 7.812 6.029 ( 7.370 9.451 2.334) 12.210 6.201 ( -1.811 0.992 -0.505) 2.126 6.511 ( 3.250 2.226 -1.489) 4.211 6.925 ( 1.265 -4.832 -2.164) 5.443 7.411 ( -2.486 -9.232 0.118) 9.562 8.283 ( -6.494 -0.817 -3.439) 7.393 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 3.336 5.846 -1.296) 6.855 2.744 ( 8.897 13.586 1.004) 16.271 3.264 ( 2.944 4.390 -3.104) 6.129 3.455 ( 12.966 6.768 2.973) 14.925 4.078 ( 0.404 -4.906 2.548) 5.543 4.384 ( -7.613 4.219 -1.011) 8.763 6.193 ( -0.522 2.266 -1.124) 2.583 6.237 ( 6.090 7.781 2.277) 10.140 6.582 ( 1.941 2.576 -1.590) 3.597 6.903 ( 2.605 -3.230 -1.984) 4.600 7.284 ( -3.472 -6.457 -0.083) 7.331 8.173 ( -4.612 -0.896 -0.979) 4.799 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 2.432 4.240 -0.344) 4.900 2.997 ( 4.926 13.341 1.552) 14.306 3.331 ( 0.871 3.562 -0.939) 3.785 3.738 ( 10.263 6.770 1.843) 12.432 4.068 ( 6.088 -8.340 4.116) 11.116 4.227 ( -12.353 1.048 -5.277) 13.474 6.223 ( 1.453 3.072 -1.490) 3.711 6.388 ( 3.837 4.707 2.333) 6.505 6.584 ( -1.975 -1.136 -1.236) 2.592 6.960 ( 3.881 3.692 -1.790) 5.648 7.182 ( -2.968 -2.794 0.249) 4.084 8.101 ( -1.851 -2.981 0.182) 3.514 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 0.479 2.357 -0.172) 2.411 3.164 ( -0.513 11.032 1.708) 11.175 3.348 ( -1.481 1.376 1.144) 2.322 3.878 ( 0.370 4.990 -1.371) 5.188 3.989 ( -13.479 -0.277 -5.554) 14.582 4.190 ( 14.484 -7.148 4.559) 16.783 6.285 ( 2.338 3.113 -1.015) 4.023 6.460 ( -1.662 2.042 0.031) 2.633 6.527 ( 0.978 -3.429 0.948) 3.690 7.041 ( -1.589 7.904 -1.394) 8.182 7.147 ( 0.502 -0.236 0.525) 0.763 8.052 ( 0.687 -4.995 0.194) 5.046 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -1.584 0.806 -0.205) 1.789 3.146 ( -10.663 2.783 1.831) 11.171 3.360 ( 1.145 1.407 1.330) 2.250 3.767 ( -12.439 3.815 -2.698) 13.288 3.914 ( 1.065 1.892 -0.466) 2.221 4.353 ( 9.664 -5.357 0.592) 11.066 6.320 ( -3.107 1.781 1.108) 3.749 6.391 ( -2.780 -0.538 -1.930) 3.427 6.578 ( 5.292 -1.530 0.583) 5.540 7.061 ( -3.684 7.481 -1.233) 8.430 7.158 ( 0.264 -1.035 0.398) 1.140 8.040 ( 3.289 -3.822 0.248) 5.048 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -3.616 -0.021 -0.484) 3.649 2.921 ( -15.824 -2.494 1.611) 16.100 3.371 ( 0.005 -2.899 -0.712) 2.985 3.638 ( -9.995 8.044 2.203) 13.017 3.969 ( 3.189 2.651 1.228) 4.324 4.392 ( 1.325 -5.000 -2.774) 5.870 6.229 ( -7.276 0.369 2.003) 7.556 6.356 ( -2.692 0.403 -1.672) 3.195 6.642 ( 2.787 -1.314 -1.194) 3.304 7.060 ( -1.755 3.804 -2.792) 5.034 7.153 ( 2.409 -3.260 1.392) 4.285 8.091 ( 4.725 -0.200 0.215) 4.734 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -0.000 4.128 -7.804) 8.829 2.132 ( -0.000 9.965 -3.478) 10.555 3.037 ( -0.000 3.672 1.363) 3.917 3.096 ( -0.000 10.573 -5.569) 11.951 4.142 ( 0.000 1.133 3.637) 3.809 4.444 ( 0.000 10.554 8.381) 13.477 5.870 ( -0.000 9.376 2.716) 9.762 6.250 ( -0.000 1.519 0.286) 1.546 6.436 ( -0.000 0.165 -1.918) 1.925 6.902 ( 0.000 -4.098 -1.089) 4.241 7.451 ( 0.000 -9.607 -0.944) 9.654 8.418 ( -0.000 -1.926 -4.856) 5.224 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -0.168 4.341 -4.956) 6.590 2.336 ( 11.752 7.269 -4.216) 14.448 3.112 ( 4.163 3.216 0.887) 5.335 3.194 ( 2.506 7.828 -1.704) 8.394 4.117 ( -1.308 -4.633 4.092) 6.318 4.566 ( -2.932 12.765 4.132) 13.734 6.011 ( 5.350 8.079 2.545) 10.018 6.254 ( -2.153 3.189 -0.610) 3.896 6.465 ( 3.206 1.401 -1.647) 3.867 6.856 ( 0.430 -5.779 -0.191) 5.798 7.354 ( -1.015 -7.626 -1.728) 7.885 8.355 ( -3.953 -1.019 -3.203) 5.189 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 3.422 4.134 -1.883) 5.687 2.630 ( 15.476 7.436 -2.912) 17.415 3.223 ( 5.079 2.864 -1.734) 6.084 3.337 ( 7.501 4.417 4.158) 9.647 4.053 ( -1.688 -5.498 3.712) 6.845 4.588 ( -7.970 9.002 -0.889) 12.056 6.197 ( 6.660 5.283 2.185) 8.777 6.248 ( -1.801 5.044 -1.515) 5.566 6.547 ( 4.142 2.411 -1.257) 4.955 6.813 ( 1.993 -5.908 0.279) 6.242 7.263 ( -1.664 -5.290 -1.738) 5.812 8.259 ( -5.727 -0.232 -1.225) 5.862 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 3.606 3.134 -0.326) 4.788 2.948 ( 13.449 7.889 -1.921) 15.710 3.317 ( 3.692 2.504 -2.197) 4.972 3.556 ( 13.455 0.559 6.856) 15.111 3.982 ( -1.357 -5.543 2.673) 6.302 4.471 ( -12.888 5.562 -4.169) 14.643 6.247 ( -0.556 3.798 -1.429) 4.096 6.362 ( 4.477 3.323 2.197) 5.992 6.596 ( -0.331 0.261 -1.563) 1.619 6.859 ( 8.249 -1.092 0.474) 8.335 7.192 ( -1.654 -2.417 -1.155) 3.148 8.155 ( -5.870 -0.682 -0.019) 5.909 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 2.003 1.491 0.017) 2.497 3.189 ( 7.527 5.723 -0.898) 9.499 3.367 ( 0.406 0.486 -0.871) 1.077 3.822 ( 14.944 -0.451 4.209) 15.532 3.926 ( 1.482 -6.266 1.501) 6.612 4.266 ( -15.313 5.212 -3.677) 16.589 6.286 ( 1.126 4.005 -1.129) 4.311 6.435 ( 3.059 -1.941 2.363) 4.325 6.553 ( -3.794 0.098 -1.402) 4.046 7.026 ( 8.687 2.403 0.228) 9.016 7.155 ( -1.217 0.182 -0.420) 1.301 8.053 ( -4.565 -1.817 0.102) 4.914 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 0.093 0.103 0.000) 0.139 3.305 ( -1.374 3.411 0.057) 3.678 3.312 ( -1.063 -6.284 -0.058) 6.373 3.889 ( -0.293 -0.272 0.000) 0.399 4.068 ( -4.253 1.944 0.023) 4.676 4.087 ( 6.331 0.450 -0.022) 6.347 6.346 ( 1.569 3.154 0.060) 3.523 6.451 ( -0.506 -3.876 -0.269) 3.919 6.489 ( -0.831 0.947 0.213) 1.278 7.139 ( 0.675 1.134 -0.072) 1.321 7.145 ( 0.335 0.064 0.069) 0.348 7.992 ( -0.419 -0.477 0.000) 0.635 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -1.669 -0.386 -0.117) 1.717 3.116 ( -11.276 -6.367 0.419) 12.956 3.324 ( 0.972 -3.777 -0.164) 3.904 3.873 ( -5.142 4.322 1.318) 6.845 3.995 ( -4.057 5.903 4.744) 8.591 4.233 ( 9.204 -5.016 -5.668) 11.916 6.354 ( -6.263 -0.065 1.191) 6.376 6.384 ( -0.342 1.070 -0.789) 1.372 6.544 ( 5.349 -1.015 -0.856) 5.511 7.091 ( -2.861 -6.177 -0.242) 6.812 7.135 ( -1.289 0.918 -0.369) 1.625 8.040 ( 3.617 3.706 0.268) 5.186 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -0.000 1.242 -5.608) 5.744 2.274 ( -0.000 6.769 -2.367) 7.171 3.109 ( 0.000 2.677 1.101) 2.895 3.235 ( -0.000 5.434 0.142) 5.436 4.090 ( 0.000 -5.735 4.548) 7.319 4.725 ( -0.000 11.514 1.290) 11.586 6.037 ( -0.000 5.746 1.881) 6.046 6.320 ( -0.000 5.691 -0.546) 5.717 6.441 ( -0.000 1.500 -1.520) 2.135 6.793 ( 0.000 -6.940 0.944) 7.004 7.293 ( -0.000 -5.355 -2.691) 5.993 8.371 ( -0.000 -0.766 -2.086) 2.222 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 2.440 2.502 -1.672) 3.874 2.432 ( 11.777 4.855 -1.891) 12.878 3.165 ( 3.586 1.640 0.135) 3.945 3.304 ( 2.830 3.172 3.153) 5.292 4.039 ( -1.205 -5.077 3.787) 6.448 4.776 ( -4.778 7.259 -2.322) 8.995 6.134 ( 5.492 3.056 0.608) 6.315 6.343 ( -3.128 6.261 -0.975) 7.066 6.500 ( 4.016 3.027 -0.298) 5.037 6.729 ( 0.650 -7.567 1.360) 7.715 7.236 ( -0.858 -2.978 -2.664) 4.086 8.333 ( -3.354 -0.122 -0.645) 3.418 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 3.904 2.288 0.322) 4.536 2.722 ( 17.359 3.913 -1.803) 17.886 3.249 ( 5.084 0.658 -1.799) 5.433 3.415 ( 6.529 0.390 7.300) 9.802 3.978 ( -1.966 -3.811 2.312) 4.872 4.696 ( -9.303 3.489 -4.662) 10.975 6.247 ( 4.706 0.330 -0.942) 4.811 6.361 ( -0.789 5.183 0.435) 5.260 6.590 ( 2.037 2.403 -0.490) 3.188 6.710 ( 5.700 -4.634 1.762) 7.554 7.193 ( -1.153 -0.747 -1.927) 2.366 8.255 ( -5.760 0.114 0.250) 5.766 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 3.090 0.619 0.506) 3.192 3.023 ( 14.655 0.689 -2.483) 14.880 3.329 ( 4.366 0.754 -2.960) 5.328 3.569 ( 10.743 -3.724 8.548) 14.225 3.921 ( -1.843 -1.601 0.593) 2.512 4.528 ( -11.759 2.383 -3.682) 12.551 6.295 ( 1.957 0.830 -1.631) 2.680 6.384 ( 0.304 -1.666 2.040) 2.651 6.605 ( -1.359 1.785 -0.616) 2.326 6.858 ( 11.587 0.534 1.384) 11.682 7.173 ( -0.873 0.720 -0.930) 1.465 8.147 ( -6.960 -0.149 0.196) 6.964 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 1.673 -1.029 0.219) 1.976 3.164 ( 6.974 -7.769 -1.878) 10.607 3.371 ( -0.682 1.087 -0.957) 1.601 3.748 ( 13.737 -6.337 1.247) 15.180 3.911 ( 0.947 2.148 0.196) 2.355 4.353 ( -11.501 3.798 0.629) 12.128 6.335 ( 3.193 -0.663 -2.072) 3.864 6.371 ( 0.855 -3.198 2.531) 4.167 6.581 ( -4.030 2.915 -0.070) 4.974 7.050 ( 8.791 0.110 1.176) 8.870 7.160 ( -1.361 -0.144 -0.214) 1.385 8.043 ( -4.847 1.064 -0.313) 4.973 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -0.000 2.998 0.784) 3.098 2.369 ( -0.000 3.656 0.249) 3.664 3.144 ( -0.000 0.397 -0.025) 0.398 3.316 ( 0.000 1.982 4.240) 4.681 4.015 ( 0.000 -4.146 3.021) 5.130 4.855 ( -0.000 2.709 -5.066) 5.745 6.100 ( -0.000 0.492 -0.957) 1.077 6.458 ( -0.000 8.576 -0.596) 8.597 6.475 ( -0.000 1.972 0.672) 2.083 6.651 ( 0.000 -8.240 1.774) 8.429 7.218 ( -0.000 -0.612 -2.696) 2.765 8.361 ( 0.000 0.293 0.299) 0.418 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 1.891 3.022 2.445) 4.323 2.500 ( 11.393 2.232 0.842) 11.640 3.169 ( 3.304 -0.848 -0.962) 3.544 3.369 ( 2.654 0.815 6.848) 7.390 3.979 ( -1.098 -2.792 1.635) 3.417 4.802 ( -4.257 -1.637 -7.035) 8.384 6.138 ( 5.302 -1.757 -1.923) 5.907 6.447 ( -3.325 2.640 0.805) 4.321 6.569 ( 2.553 -1.280 0.048) 2.857 6.613 ( 2.776 1.229 2.274) 3.792 7.207 ( -0.851 1.320 -2.180) 2.686 8.340 ( -3.416 0.692 0.856) 3.589 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 2.233 0.601 1.938) 3.018 2.749 ( 15.545 -1.164 -0.891) 15.614 3.229 ( 5.665 -0.869 -2.359) 6.197 3.453 ( 4.350 -1.525 9.339) 10.415 3.940 ( -1.504 -0.695 0.153) 1.664 4.661 ( -6.355 -3.662 -6.162) 9.579 6.203 ( 5.561 -3.722 -2.171) 7.035 6.402 ( -2.282 -2.453 1.717) 3.764 6.597 ( 3.718 -0.806 -0.032) 3.804 6.737 ( 5.088 6.052 2.471) 8.284 7.202 ( -1.307 2.437 -1.519) 3.155 8.266 ( -6.375 0.692 0.647) 6.445 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 1.911 -1.888 0.955) 2.851 2.920 ( 10.646 -9.665 -2.807) 14.651 3.335 ( 6.373 1.880 -3.087) 7.326 3.528 ( 5.877 -5.318 7.167) 10.686 3.930 ( -0.318 2.466 -0.238) 2.498 4.506 ( -6.138 -3.047 -2.166) 7.187 6.229 ( 3.834 -5.448 -2.187) 7.012 6.358 ( -0.148 -2.779 2.109) 3.492 6.643 ( 0.588 1.339 0.337) 1.501 6.912 ( 8.221 4.067 2.671) 9.552 7.195 ( -2.017 2.097 -1.090) 3.107 8.157 ( -7.080 1.243 0.018) 7.188 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 0.000 4.535 4.336) 6.274 2.411 ( 0.000 -0.334 2.032) 2.059 3.125 ( -0.000 -1.884 -0.843) 2.064 3.378 ( 0.000 0.720 8.250) 8.281 3.970 ( 0.000 -1.519 0.508) 1.601 4.768 ( -0.000 -6.909 -9.139) 11.457 6.058 ( -0.000 -3.365 -2.440) 4.156 6.478 ( 0.000 -8.047 0.681) 8.076 6.507 ( 0.000 0.249 1.742) 1.760 6.662 ( -0.000 9.752 1.669) 9.894 7.230 ( -0.000 3.150 -2.057) 3.762 8.383 ( 0.000 1.389 1.136) 1.795 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -1.161 1.106 3.372) 3.733 2.509 ( 10.481 -2.626 0.832) 10.837 3.130 ( 3.475 -2.091 -1.026) 4.184 3.426 ( 1.724 -0.456 10.007) 10.165 3.957 ( -0.711 0.621 -0.556) 1.096 4.636 ( -1.831 -10.221 -8.851) 13.644 6.057 ( 5.011 -4.961 -2.292) 7.415 6.390 ( -1.152 -6.929 1.163) 7.119 6.528 ( 2.376 -0.880 0.912) 2.693 6.779 ( 1.449 9.668 2.865) 10.187 7.252 ( -1.151 4.381 -1.870) 4.901 8.368 ( -3.943 1.755 0.756) 4.382 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 0.055 -2.493 1.921) 3.147 2.631 ( 10.442 -10.229 -2.756) 14.875 3.207 ( 7.603 -0.229 -1.193) 7.700 3.466 ( 1.167 -3.308 8.976) 9.637 3.966 ( -0.417 3.841 -0.410) 3.885 4.483 ( -0.888 -10.822 -5.583) 12.210 6.088 ( 5.338 -6.458 -2.177) 8.656 6.324 ( 0.020 -5.293 1.796) 5.590 6.581 ( 4.710 -1.450 0.112) 4.930 6.910 ( 2.272 8.721 4.208) 9.947 7.262 ( -2.408 4.728 -1.932) 5.647 8.293 ( -6.961 2.055 0.134) 7.259 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 0.000 0.175 2.131) 2.138 2.361 ( 0.000 -6.346 1.139) 6.448 3.075 ( 0.000 -2.509 -0.229) 2.520 3.437 ( 0.000 -1.365 10.716) 10.803 3.977 ( -0.000 3.055 -0.734) 3.142 4.493 ( -0.000 -15.077 -9.517) 17.829 5.953 ( 0.000 -5.857 -1.621) 6.077 6.331 ( 0.000 -6.769 0.449) 6.784 6.502 ( 0.000 -1.572 1.052) 1.892 6.873 ( 0.000 9.776 3.794) 10.486 7.307 ( -0.000 5.862 -1.992) 6.191 8.426 ( -0.000 2.644 0.119) 2.647 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -1.797 -5.110 1.379) 5.590 2.376 ( 6.212 -10.894 -2.816) 12.853 3.092 ( 4.610 -1.622 0.571) 4.920 3.448 ( 0.495 -4.209 8.626) 9.611 4.019 ( -0.237 6.236 0.686) 6.278 4.317 ( 1.350 -17.001 -7.343) 18.568 5.930 ( 4.427 -6.888 -0.926) 8.240 6.276 ( 0.105 -4.758 0.759) 4.819 6.504 ( 2.234 -1.928 0.087) 2.952 6.984 ( 0.943 8.507 5.126) 9.977 7.348 ( -1.751 6.780 -2.246) 7.354 8.416 ( -4.349 3.183 -0.752) 5.441 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 0.000 -13.475 -2.088) 13.636 2.233 ( 0.000 -9.699 -2.753) 10.082 3.037 ( 0.000 -1.722 1.418) 2.230 3.405 ( 0.000 -8.555 5.293) 10.060 4.072 ( 0.000 -9.854 0.895) 9.894 4.130 ( -0.000 -0.771 -3.486) 3.570 5.822 ( 0.000 -7.132 0.561) 7.154 6.241 ( 0.000 -2.445 0.292) 2.462 6.467 ( 0.000 -1.901 -0.472) 1.959 7.068 ( 0.000 6.754 6.101) 9.101 7.430 ( -0.000 8.251 -2.320) 8.571 8.484 ( -0.000 3.979 -2.204) 4.549 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 0.000 -0.000 22.069) 22.069 0.672 ( 0.000 -0.000 22.069) 22.069 1.131 ( 0.000 -0.000 38.258) 38.258 2.922 ( -0.000 0.000 -3.245) 3.245 2.922 ( -0.000 0.000 -3.245) 3.245 5.205 ( -0.000 0.000 -14.747) 14.747 5.337 ( -0.000 0.000 -2.623) 2.623 5.337 ( -0.000 0.000 -2.623) 2.623 6.530 ( 0.000 -0.000 1.742) 1.742 6.530 ( 0.000 -0.000 1.742) 1.742 8.319 ( 0.000 -0.000 6.467) 6.467 8.796 ( -0.000 0.000 -2.292) 2.292 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 6.097 3.520 18.057) 19.381 0.915 ( 7.789 4.497 23.045) 24.737 1.477 ( 19.509 11.264 21.598) 31.208 2.936 ( 1.390 0.802 -2.982) 3.386 2.975 ( 6.542 3.777 -2.114) 7.844 4.818 ( -7.942 -4.585 -5.762) 10.830 5.386 ( 3.692 2.131 -2.331) 4.858 6.148 ( 36.714 21.197 -28.150) 50.889 6.504 ( -2.066 -1.193 1.634) 2.892 6.528 ( -1.453 -0.839 1.006) 1.956 8.283 ( -4.960 -2.864 6.646) 8.774 8.733 ( -4.841 -2.795 -2.239) 6.021 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 12.949 7.476 10.740) 18.410 1.162 ( 8.739 5.045 18.574) 21.138 1.989 ( 21.620 12.482 1.363) 25.002 2.965 ( 1.916 1.106 -2.525) 3.357 3.211 ( 14.124 8.154 3.835) 16.753 4.688 ( -3.233 -1.867 -6.035) 7.096 5.486 ( 5.799 3.348 -1.971) 6.980 6.453 ( -2.751 -1.589 1.461) 3.497 6.464 ( -4.037 -2.331 0.725) 4.717 6.706 ( 21.306 12.301 -19.488) 31.386 8.150 ( -8.458 -4.883 6.894) 11.955 8.573 ( -8.414 -4.858 -4.359) 10.648 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 15.260 8.811 5.379) 18.424 1.419 ( 10.416 6.013 8.948) 14.990 2.434 ( 19.322 11.156 -7.508) 23.541 3.005 ( 2.243 1.295 -1.900) 3.212 3.587 ( 16.557 9.559 7.842) 20.665 4.619 ( -1.816 -1.049 -3.084) 3.729 5.629 ( 7.309 4.220 -1.359) 8.549 6.362 ( -4.712 -2.720 0.300) 5.449 6.398 ( -2.287 -1.320 1.092) 2.857 7.029 ( 11.711 6.761 -10.832) 17.326 7.954 ( -11.062 -6.386 6.701) 14.424 8.357 ( -8.300 -4.792 -6.376) 11.511 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 11.110 6.414 1.348) 12.899 1.708 ( 14.797 8.543 1.890) 17.190 2.818 ( 17.071 9.856 -7.351) 21.038 3.052 ( 2.257 1.303 -1.152) 2.849 3.943 ( 12.430 7.177 6.335) 15.689 4.583 ( -1.288 -0.744 0.927) 1.753 5.794 ( 7.376 4.259 -0.268) 8.522 6.276 ( -2.656 -1.534 0.160) 3.072 6.367 ( -0.554 -0.320 0.322) 0.717 7.155 ( 2.200 1.270 -7.770) 8.175 7.683 ( -14.567 -8.410 3.684) 17.219 8.226 ( -1.252 -0.723 -3.560) 3.842 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 9.972 5.757 -2.603) 11.805 2.017 ( 12.478 7.204 -0.302) 14.412 3.096 ( 1.802 1.040 -0.361) 2.112 3.146 ( 13.895 8.022 -6.107) 17.167 4.163 ( 5.943 3.431 3.261) 7.598 4.558 ( -1.844 -1.064 4.657) 5.121 5.940 ( 5.159 2.979 1.273) 6.092 6.256 ( 0.958 0.553 -0.383) 1.171 6.382 ( 2.113 1.220 -0.884) 2.595 7.108 ( -3.560 -2.055 -7.325) 8.400 7.361 ( -13.844 -7.993 2.693) 16.211 8.256 ( 3.384 1.954 -0.662) 3.964 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 7.509 4.335 -4.084) 9.584 2.255 ( 8.951 5.168 -1.526) 10.448 3.126 ( 0.823 0.475 0.344) 1.010 3.391 ( 9.768 5.640 -7.615) 13.609 4.218 ( -1.572 -0.908 -1.544) 2.383 4.545 ( -0.707 -0.408 10.531) 10.562 6.023 ( 1.896 1.095 2.352) 3.213 6.315 ( 4.522 2.611 -0.852) 5.291 6.448 ( 3.658 2.112 -1.715) 4.559 6.950 ( -8.806 -5.084 -5.951) 11.781 7.151 ( -5.048 -2.915 3.904) 7.016 8.334 ( 3.159 1.824 -0.474) 3.678 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 5.088 2.938 -3.919) 7.062 2.403 ( 4.601 2.656 -1.906) 5.644 3.132 ( -0.458 -0.264 0.737) 0.907 3.537 ( 6.035 3.484 -11.419) 13.377 4.109 ( -6.185 -3.571 -3.210) 7.830 4.580 ( -0.638 -0.368 14.111) 14.131 6.045 ( -0.533 -0.307 2.402) 2.480 6.448 ( 7.051 4.071 -0.203) 8.144 6.514 ( 2.381 1.375 -1.676) 3.220 6.733 ( -8.270 -4.775 -3.308) 10.106 7.121 ( 0.528 0.305 3.563) 3.614 8.383 ( 1.497 0.864 -1.055) 2.025 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 2.996 1.730 -2.279) 4.143 2.444 ( -0.540 -0.312 -1.362) 1.498 3.112 ( -1.453 -0.839 0.514) 1.755 3.589 ( 1.956 1.129 -14.441) 14.616 3.983 ( -3.483 -2.011 -0.417) 4.044 4.562 ( -5.227 -3.018 12.716) 14.076 6.017 ( -2.528 -1.460 1.825) 3.443 6.487 ( -6.264 -3.617 -0.172) 7.235 6.535 ( -0.112 -0.065 -1.197) 1.204 6.700 ( 8.472 4.892 -2.478) 10.092 7.177 ( 3.298 1.904 3.557) 5.211 8.401 ( 0.649 0.375 -0.768) 1.074 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -1.132 -0.654 0.345) 1.352 2.366 ( -6.303 -3.639 0.095) 7.278 3.075 ( -1.688 -0.975 -0.372) 1.984 3.537 ( -2.829 -1.634 -10.537) 11.032 3.979 ( 3.298 1.904 -1.337) 4.036 4.407 ( -11.786 -6.805 9.095) 16.369 5.942 ( -4.504 -2.600 0.791) 5.260 6.336 ( -5.985 -3.456 -0.548) 6.933 6.509 ( -1.771 -1.022 -0.447) 2.093 6.908 ( 9.470 5.468 -3.719) 11.550 7.284 ( 5.253 3.033 3.079) 6.802 8.423 ( 1.590 0.918 0.832) 2.016 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 0.000 15.079 17.169) 22.851 0.997 ( 0.000 13.392 15.767) 20.686 1.519 ( 0.000 16.385 26.144) 30.854 2.891 ( -0.000 -0.027 -3.668) 3.668 2.992 ( -0.000 7.984 -2.431) 8.346 4.801 ( -0.000 -10.228 -6.197) 11.959 5.318 ( -0.000 1.392 -2.506) 2.867 6.091 ( -0.000 41.225 -24.741) 48.079 6.504 ( 0.000 -3.035 1.302) 3.303 6.540 ( 0.000 -0.852 1.647) 1.855 8.299 ( 0.000 -6.351 6.780) 9.290 8.745 ( -0.000 -2.940 -2.989) 4.193 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 0.162 18.691 10.626) 21.501 1.222 ( 3.225 12.558 18.905) 22.924 1.863 ( 11.327 18.569 7.473) 22.999 2.929 ( 3.852 1.216 -2.892) 4.968 3.123 ( 6.597 10.619 1.331) 12.572 4.679 ( -1.989 -4.979 -6.511) 8.434 5.397 ( 6.373 2.318 -2.089) 7.096 6.458 ( -1.310 -3.970 0.681) 4.236 6.499 ( 13.397 23.134 -18.236) 32.361 6.514 ( -1.671 -0.377 -0.235) 1.729 8.209 ( -4.052 -8.825 6.735) 11.817 8.649 ( -6.191 -3.714 -4.268) 8.387 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 5.711 18.265 5.998) 20.055 1.440 ( 2.402 12.271 15.143) 19.638 2.252 ( 14.648 16.476 -6.571) 23.004 2.993 ( 2.038 3.427 -2.798) 4.871 3.434 ( 14.992 10.775 6.846) 19.691 4.603 ( -0.518 -3.297 -4.509) 5.610 5.542 ( 7.489 4.497 -1.680) 8.895 6.378 ( -2.758 -5.000 0.576) 5.739 6.456 ( -3.392 -0.321 0.974) 3.544 6.861 ( 13.157 11.779 -12.109) 21.412 8.046 ( -6.786 -9.962 6.712) 13.797 8.453 ( -9.871 -3.995 -6.007) 12.226 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 6.700 12.068 1.876) 13.930 1.662 ( 6.064 16.410 8.458) 19.432 2.635 ( 15.611 14.525 -7.680) 22.664 3.049 ( 1.178 4.281 -2.269) 4.987 3.806 ( 14.442 8.135 6.354) 17.751 4.566 ( 0.623 -3.008 -1.128) 3.273 5.719 ( 7.587 6.337 -1.022) 9.938 6.287 ( -2.443 -4.257 0.271) 4.915 6.411 ( -2.747 1.354 0.753) 3.154 7.073 ( 6.650 3.139 -8.121) 10.955 7.824 ( -10.691 -10.305 4.937) 15.648 8.258 ( -5.996 -2.028 -4.662) 7.861 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 6.595 9.386 0.307) 11.475 1.963 ( 7.631 15.889 2.732) 17.837 2.994 ( 13.387 11.998 -5.627) 18.837 3.104 ( 1.030 5.043 -1.423) 5.340 4.080 ( 9.211 3.832 3.552) 10.590 4.549 ( 0.814 -3.672 1.893) 4.211 5.900 ( 5.996 7.054 0.108) 9.259 6.232 ( 0.124 -2.418 -0.229) 2.432 6.401 ( -1.115 3.245 0.161) 3.435 7.099 ( -0.417 -2.086 -7.166) 7.475 7.525 ( -13.913 -8.976 2.241) 16.709 8.213 ( 1.962 -0.104 -0.651) 2.070 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 6.046 7.243 -1.847) 9.614 2.225 ( 5.545 13.977 0.585) 15.048 3.136 ( 0.440 3.258 -0.513) 3.327 3.296 ( 8.785 10.972 -5.724) 15.177 4.204 ( 2.321 -0.454 0.183) 2.372 4.537 ( 1.730 -4.246 5.858) 7.439 6.040 ( 2.076 6.625 1.606) 7.126 6.249 ( 3.789 -0.423 -1.052) 3.955 6.438 ( 1.068 4.531 -0.628) 4.697 7.002 ( -4.940 -4.049 -6.830) 9.352 7.251 ( -9.943 -5.184 3.419) 11.723 8.273 ( 4.455 -0.459 0.255) 4.486 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 4.444 4.942 -2.996) 7.291 2.416 ( 2.050 11.948 -0.650) 12.140 3.159 ( -1.083 2.461 0.530) 2.740 3.475 ( 4.300 7.961 -8.725) 12.569 4.147 ( -4.290 -4.343 -3.621) 7.098 4.580 ( 3.614 -3.089 11.488) 12.433 6.104 ( -2.005 5.427 2.273) 6.216 6.342 ( 6.962 1.151 -0.979) 7.124 6.510 ( 2.036 4.628 -0.931) 5.141 6.822 ( -8.504 -4.390 -4.441) 10.550 7.139 ( -1.982 -0.955 3.677) 4.285 8.332 ( 3.626 -1.712 -0.548) 4.047 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 3.088 2.451 -3.111) 5.022 2.517 ( -2.406 9.736 -0.872) 10.067 3.151 ( -2.384 1.668 0.961) 3.065 3.547 ( 1.014 4.572 -12.266) 13.130 4.015 ( -4.081 -4.109 -1.999) 6.127 4.621 ( -0.357 -3.566 12.292) 12.804 6.099 ( -4.629 3.914 2.093) 6.413 6.460 ( 4.738 -1.118 -0.483) 4.892 6.574 ( -1.190 2.005 -0.451) 2.375 6.665 ( -1.948 2.040 -3.172) 4.244 7.155 ( 2.002 0.778 3.298) 3.936 8.358 ( 2.608 -2.720 -1.050) 3.912 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 1.307 -0.920 -2.290) 2.793 2.511 ( -7.688 6.278 0.337) 9.931 3.123 ( -3.078 1.933 0.552) 3.676 3.529 ( -1.500 0.851 -12.326) 12.446 3.955 ( 0.474 -0.538 -0.020) 0.718 4.548 ( -7.706 -5.343 10.027) 13.729 6.039 ( -6.585 2.021 1.648) 7.083 6.400 ( -5.653 -4.222 -0.837) 7.105 6.536 ( -1.859 1.113 -0.687) 2.273 6.806 ( 8.292 6.733 -2.921) 11.074 7.230 ( 4.505 1.403 2.823) 5.498 8.373 ( 3.105 -2.837 -0.325) 4.218 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 0.000 19.527 11.485) 22.654 1.346 ( 0.000 14.700 8.012) 16.742 2.016 ( -0.000 23.216 6.840) 24.202 2.882 ( -0.000 1.185 -2.825) 3.063 3.195 ( -0.000 13.141 1.806) 13.264 4.623 ( -0.000 -5.524 -5.409) 7.731 5.366 ( -0.000 4.882 -1.179) 5.022 6.429 ( 0.000 -4.867 0.895) 4.949 6.520 ( 0.000 -1.925 0.920) 2.134 6.572 ( -0.000 22.930 -15.873) 27.888 8.161 ( 0.000 -11.685 6.191) 13.224 8.654 ( -0.000 -3.706 -5.502) 6.633 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 0.140 17.331 3.372) 17.656 1.595 ( 2.510 15.461 11.771) 19.593 2.268 ( 3.435 22.203 -5.108) 23.040 2.949 ( 5.486 2.516 -2.711) 6.616 3.391 ( 6.263 14.517 6.222) 16.991 4.557 ( -0.201 -4.421 -3.343) 5.546 5.472 ( 5.757 6.303 -0.524) 8.553 6.368 ( -1.629 -5.258 0.891) 5.576 6.490 ( -1.369 -1.493 0.414) 2.068 6.782 ( 6.863 14.237 -10.273) 18.850 8.033 ( -2.874 -12.928 5.688) 14.414 8.542 ( -6.516 -3.682 -6.751) 10.079 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 3.071 14.283 -0.374) 14.614 1.811 ( 1.869 17.064 10.390) 20.066 2.558 ( 9.553 19.587 -7.830) 23.156 3.050 ( 3.517 4.109 -3.509) 6.447 3.696 ( 10.845 11.854 6.480) 17.324 4.514 ( 0.683 -4.098 -0.512) 4.186 5.657 ( 7.661 7.981 -0.178) 11.065 6.286 ( -2.416 -4.618 0.643) 5.251 6.459 ( -1.479 0.342 0.097) 1.521 6.972 ( 6.652 5.115 -6.518) 10.626 7.858 ( -5.120 -12.779 5.058) 14.666 8.351 ( -8.870 -2.443 -6.582) 11.312 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 3.854 10.889 -0.687) 11.572 2.066 ( 3.793 19.169 6.732) 20.667 2.900 ( 11.832 16.348 -5.428) 20.898 3.131 ( 2.065 5.681 -2.650) 6.600 3.973 ( 9.278 6.238 2.815) 11.529 4.492 ( 1.201 -4.776 1.757) 5.229 5.868 ( 7.268 9.249 0.148) 11.764 6.215 ( -1.347 -3.068 0.286) 3.362 6.454 ( -0.956 2.820 -0.119) 2.980 7.045 ( 2.164 -1.424 -5.686) 6.248 7.637 ( -9.123 -11.045 2.882) 14.613 8.210 ( -3.350 -0.871 -2.947) 4.546 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 4.211 8.899 -0.578) 9.862 2.328 ( 3.116 18.753 4.099) 19.447 3.149 ( 3.334 6.147 -2.494) 7.425 3.274 ( 6.919 13.798 -3.247) 15.773 4.138 ( 5.474 1.049 0.554) 5.601 4.463 ( 1.379 -6.696 2.758) 7.372 6.067 ( 4.962 9.521 0.823) 10.768 6.192 ( 1.314 -1.281 -0.459) 1.892 6.480 ( -0.256 4.700 -0.230) 4.713 7.001 ( -1.772 -3.540 -5.632) 6.884 7.379 ( -10.609 -7.315 1.915) 13.028 8.197 ( 2.685 -1.502 0.086) 3.078 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 3.130 6.749 -1.019) 7.508 2.546 ( 0.570 17.529 2.317) 17.691 3.208 ( -0.464 4.230 -0.144) 4.258 3.489 ( 3.435 12.351 -6.312) 14.290 4.152 ( -2.312 -3.572 -3.149) 5.293 4.471 ( 6.597 -6.744 7.420) 12.003 6.194 ( 0.013 5.654 1.896) 5.963 6.251 ( 5.274 3.527 -1.442) 6.507 6.529 ( 0.654 4.388 -0.070) 4.437 6.894 ( -5.530 -2.535 -4.962) 7.850 7.195 ( -5.498 -2.930 2.884) 6.866 8.237 ( 4.164 -3.259 0.167) 5.291 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 1.474 4.376 -1.645) 4.902 2.693 ( -3.186 15.742 1.307) 16.114 3.222 ( -2.415 3.446 1.227) 4.383 3.578 ( -1.471 8.100 -10.050) 12.991 4.028 ( -4.055 -5.369 -3.035) 7.381 4.562 ( 6.415 -5.494 9.727) 12.882 6.223 ( -2.895 4.447 1.332) 5.471 6.373 ( 4.918 2.767 -0.631) 5.678 6.583 ( 1.714 2.116 0.244) 2.734 6.759 ( -7.035 1.942 -3.305) 8.011 7.150 ( 0.003 -0.101 2.609) 2.611 8.264 ( 3.685 -4.823 -0.584) 6.098 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -0.057 1.690 -1.936) 2.570 2.738 ( -8.350 11.646 1.447) 14.403 3.210 ( -3.284 3.887 1.777) 5.390 3.549 ( -3.618 2.891 -11.486) 12.384 3.943 ( -0.524 -2.229 -0.362) 2.318 4.595 ( -0.184 -5.557 8.138) 9.856 6.186 ( -6.362 3.042 1.619) 7.236 6.415 ( -0.739 -2.853 -1.169) 3.171 6.596 ( -2.201 2.527 0.096) 3.352 6.761 ( 2.956 7.624 -2.693) 8.609 7.185 ( 2.737 0.515 2.157) 3.522 8.271 ( 3.782 -5.461 -0.621) 6.672 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -0.000 14.060 1.039) 14.098 1.739 ( -0.000 15.783 4.840) 16.509 2.458 ( -0.000 22.591 -8.662) 24.195 2.907 ( -0.000 2.588 -0.842) 2.722 3.522 ( 0.000 17.382 7.961) 19.118 4.509 ( 0.000 -4.410 -0.766) 4.476 5.493 ( -0.000 8.252 0.762) 8.287 6.336 ( 0.000 -4.954 1.100) 5.075 6.482 ( 0.000 -2.061 -0.240) 2.075 6.829 ( -0.000 11.092 -6.806) 13.014 7.938 ( 0.000 -14.294 4.435) 14.966 8.541 ( -0.000 -3.534 -7.718) 8.489 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 0.395 12.870 -2.419) 13.101 1.929 ( 4.433 13.654 3.041) 14.675 2.644 ( 1.836 20.707 -8.571) 22.486 2.989 ( 5.479 3.097 -2.014) 6.608 3.746 ( 2.912 16.964 7.822) 18.906 4.470 ( 0.081 -4.146 2.044) 4.623 5.630 ( 5.279 9.435 1.350) 10.895 6.281 ( -1.602 -4.030 0.887) 4.427 6.464 ( 0.221 -1.038 -0.745) 1.297 6.923 ( 3.080 4.848 -3.809) 6.892 7.795 ( -1.811 -14.106 3.451) 14.635 8.434 ( -5.751 -2.561 -7.710) 9.954 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 2.205 10.188 -3.023) 10.853 2.176 ( 6.642 15.509 3.316) 17.195 2.891 ( 7.225 17.952 -4.941) 19.973 3.106 ( 5.323 3.778 -2.645) 7.043 3.958 ( 3.075 11.395 3.336) 12.265 4.444 ( 0.221 -3.950 3.998) 5.624 5.840 ( 7.382 10.221 1.252) 12.670 6.218 ( -1.983 -2.550 0.482) 3.266 6.472 ( 1.023 1.265 -0.939) 1.879 6.979 ( 2.297 -1.053 -2.847) 3.807 7.630 ( -3.493 -12.738 2.444) 13.432 8.282 ( -6.886 -0.821 -5.524) 8.866 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 3.637 8.640 -1.387) 9.477 2.452 ( 5.862 16.939 3.395) 18.244 3.139 ( 5.066 8.968 -3.285) 10.812 3.267 ( 8.587 10.923 -0.875) 13.921 4.082 ( 2.767 3.912 0.211) 4.796 4.409 ( -1.235 -4.924 2.954) 5.873 6.063 ( 6.685 10.021 0.687) 12.066 6.179 ( -0.649 -0.699 0.345) 1.014 6.514 ( 1.274 3.575 -0.848) 3.889 6.965 ( 0.197 -3.514 -3.116) 4.701 7.445 ( -6.055 -9.792 1.156) 11.571 8.182 ( -2.750 -0.549 -1.807) 3.336 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 3.145 6.970 -0.431) 7.659 2.705 ( 3.099 17.216 3.215) 17.786 3.243 ( 1.608 5.010 -1.212) 5.400 3.532 ( 6.394 13.659 -2.213) 15.243 4.139 ( 1.180 -0.380 -1.393) 1.865 4.327 ( 0.428 -8.903 2.741) 9.325 6.182 ( 1.862 0.774 -0.834) 2.182 6.258 ( 4.235 8.833 1.351) 9.888 6.563 ( 0.172 3.264 -0.358) 3.288 6.921 ( -1.142 -0.956 -3.259) 3.584 7.265 ( -6.151 -5.475 1.167) 8.317 8.157 ( 1.219 -2.624 0.097) 2.895 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 1.373 4.921 -0.409) 5.125 2.900 ( -0.737 16.450 2.943) 16.727 3.293 ( -0.878 4.110 0.742) 4.267 3.683 ( -1.859 11.577 -6.489) 13.401 4.044 ( -6.045 -4.751 -4.181) 8.751 4.367 ( 11.023 -8.501 7.083) 15.618 6.236 ( 3.062 1.597 -0.282) 3.465 6.383 ( 1.077 6.274 0.071) 6.366 6.574 ( 0.161 -0.462 0.686) 0.843 6.890 ( -4.301 5.359 -2.717) 7.389 7.165 ( -1.896 -1.577 1.606) 2.943 8.155 ( 2.731 -5.111 0.019) 5.795 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -0.645 2.768 -0.687) 2.924 2.999 ( -6.540 12.996 2.764) 14.809 3.305 ( -2.140 3.909 2.424) 5.073 3.654 ( -8.093 6.149 -9.810) 14.126 3.927 ( -1.066 -3.184 -0.729) 3.436 4.486 ( 8.245 -7.132 5.397) 12.164 6.284 ( -0.909 2.047 0.766) 2.367 6.400 ( -1.427 -0.167 -1.422) 2.022 6.598 ( 2.828 -0.191 0.958) 2.992 6.873 ( -5.055 9.925 -1.873) 11.294 7.163 ( 1.017 0.142 1.195) 1.575 8.149 ( 3.440 -6.339 -0.228) 7.215 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -0.000 12.413 -3.255) 12.832 1.978 ( -0.000 8.892 -4.812) 10.110 2.794 ( -0.000 18.208 -8.913) 20.272 2.969 ( -0.000 3.646 1.071) 3.800 3.927 ( 0.000 17.746 7.266) 19.176 4.444 ( 0.000 -3.297 5.052) 6.033 5.685 ( -0.000 10.206 2.415) 10.488 6.265 ( 0.000 -2.663 0.795) 2.779 6.442 ( -0.000 -1.332 -1.475) 1.988 6.927 ( -0.000 1.932 -1.330) 2.345 7.680 ( 0.000 -13.820 1.675) 13.921 8.436 ( -0.000 -2.114 -7.750) 8.033 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -0.543 8.624 -5.039) 10.003 2.152 ( 9.792 10.104 -4.101) 14.656 2.958 ( 2.963 15.665 -4.366) 16.529 3.048 ( 4.182 3.537 0.167) 5.480 4.082 ( -1.338 11.341 3.401) 11.915 4.442 ( -0.545 0.089 6.847) 6.869 5.837 ( 5.057 10.259 2.458) 11.699 6.233 ( -1.704 -1.040 0.273) 2.015 6.445 ( 1.959 0.018 -1.666) 2.571 6.935 ( 0.858 -1.922 -0.075) 2.107 7.546 ( -1.056 -12.419 0.405) 12.470 8.358 ( -4.521 -0.844 -6.207) 7.725 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 3.065 7.273 -2.796) 8.373 2.438 ( 12.363 11.335 -2.340) 16.935 3.136 ( 3.824 7.126 -2.689) 8.522 3.203 ( 9.056 8.868 1.903) 12.817 4.121 ( -1.850 2.205 1.650) 3.318 4.448 ( -3.675 3.110 3.662) 6.048 6.047 ( 7.009 9.742 1.661) 12.116 6.198 ( -1.802 0.440 -0.197) 1.865 6.498 ( 3.344 2.121 -1.384) 4.195 6.915 ( 0.546 -4.268 -0.002) 4.303 7.410 ( -2.047 -10.284 -0.387) 10.492 8.251 ( -5.582 0.290 -3.305) 6.493 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 3.876 6.108 -0.789) 7.277 2.745 ( 10.533 12.381 -0.741) 16.272 3.243 ( 3.366 4.587 -1.517) 5.888 3.483 ( 12.023 8.817 2.985) 15.205 4.102 ( 0.163 -3.358 2.453) 4.162 4.371 ( -8.762 1.462 -1.779) 9.060 6.182 ( -0.444 2.407 -0.958) 2.628 6.257 ( 5.928 7.556 1.651) 9.745 6.570 ( 2.087 2.335 -1.099) 3.319 6.893 ( 1.790 -2.420 -0.279) 3.023 7.281 ( -2.933 -7.074 -0.515) 7.675 8.165 ( -3.909 -0.408 -0.783) 4.007 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 2.507 4.352 -0.120) 5.024 3.007 ( 6.102 12.325 0.569) 13.764 3.325 ( 1.735 3.630 -0.355) 4.038 3.750 ( 7.195 8.654 0.648) 11.273 4.104 ( 5.023 -5.832 3.200) 8.335 4.184 ( -10.547 -2.521 -3.602) 11.427 6.213 ( 1.552 2.884 -0.556) 3.322 6.404 ( 3.394 5.153 0.910) 6.237 6.576 ( -1.381 -1.537 -0.472) 2.120 6.948 ( 3.185 4.482 -0.648) 5.537 7.183 ( -2.336 -3.248 0.076) 4.001 8.102 ( -1.721 -2.904 0.065) 3.376 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 0.390 2.455 -0.101) 2.487 3.178 ( 0.226 10.112 1.456) 10.218 3.359 ( -0.602 1.200 1.070) 1.716 3.858 ( -3.625 9.054 -3.204) 10.266 3.947 ( -10.320 -1.290 -3.369) 10.932 4.230 ( 13.684 -9.089 4.161) 16.946 6.281 ( 2.674 3.099 0.079) 4.094 6.453 ( -3.010 1.701 -1.514) 3.774 6.539 ( 2.049 -3.194 1.507) 4.083 7.031 ( -1.798 8.433 -0.851) 8.665 7.151 ( 0.627 -0.614 0.491) 1.005 8.053 ( 0.655 -4.933 0.046) 4.976 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -0.000 4.161 -8.263) 9.251 2.098 ( -0.000 10.249 -3.757) 10.916 3.051 ( 0.000 3.650 1.625) 3.995 3.060 ( -0.000 12.626 -2.483) 12.868 4.173 ( 0.000 1.832 2.864) 3.400 4.513 ( 0.000 8.339 6.539) 10.597 5.896 ( -0.000 9.303 2.795) 9.714 6.251 ( -0.000 1.181 0.001) 1.181 6.418 ( -0.000 0.097 -2.068) 2.070 6.905 ( 0.000 -3.835 1.627) 4.165 7.440 ( 0.000 -10.710 -1.471) 10.810 8.371 ( -0.000 -0.423 -5.224) 5.241 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 1.248 5.117 -4.116) 6.684 2.297 ( 11.821 8.035 -4.181) 14.893 3.118 ( 3.204 3.231 0.575) 4.586 3.193 ( 3.705 9.402 1.238) 10.181 4.153 ( -1.609 -3.684 3.612) 5.404 4.593 ( -3.673 9.807 1.805) 10.626 6.032 ( 5.218 7.741 1.966) 9.540 6.248 ( -2.390 2.759 -0.638) 3.705 6.451 ( 3.407 1.717 -1.419) 4.070 6.865 ( 0.117 -5.622 2.200) 6.038 7.335 ( -0.686 -8.362 -2.437) 8.737 8.326 ( -3.581 0.386 -3.097) 4.750 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 4.068 4.862 -1.032) 6.422 2.600 ( 15.901 7.750 -3.337) 18.001 3.211 ( 4.184 2.854 -0.756) 5.121 3.381 ( 8.739 5.800 5.264) 11.735 4.088 ( -1.993 -5.451 3.809) 6.942 4.569 ( -8.875 7.151 -3.177) 11.832 6.210 ( 5.975 3.955 0.561) 7.187 6.239 ( -0.998 5.839 -0.412) 5.938 6.537 ( 3.888 2.657 -0.961) 4.806 6.825 ( 1.590 -5.648 2.201) 6.266 7.244 ( -1.126 -5.600 -2.351) 6.177 8.249 ( -5.334 0.643 -0.991) 5.463 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 3.687 3.434 0.038) 5.039 2.926 ( 14.237 7.592 -2.753) 16.368 3.302 ( 3.908 2.029 -1.284) 4.586 3.620 ( 12.524 2.148 7.041) 14.527 4.010 ( -1.441 -6.621 3.356) 7.561 4.426 ( -13.223 5.559 -5.716) 15.441 6.238 ( -0.490 3.621 -0.642) 3.709 6.378 ( 4.844 3.570 1.174) 6.131 6.583 ( -0.453 0.239 -1.241) 1.343 6.869 ( 7.563 -0.877 1.689) 7.799 7.180 ( -1.082 -2.441 -1.463) 3.045 8.155 ( -5.763 -0.420 -0.012) 5.778 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -0.000 3.515 -3.418) 4.903 2.256 ( -0.000 7.728 -1.573) 7.886 3.118 ( -0.000 2.268 0.847) 2.421 3.247 ( -0.000 6.821 2.439) 7.244 4.131 ( 0.000 -5.741 4.428) 7.250 4.723 ( -0.000 8.923 -1.902) 9.123 6.050 ( -0.000 4.802 0.834) 4.874 6.314 ( -0.000 5.507 -0.585) 5.538 6.430 ( -0.000 2.212 -0.749) 2.336 6.811 ( 0.000 -7.125 3.006) 7.733 7.264 ( -0.000 -5.520 -3.571) 6.574 8.353 ( -0.000 0.579 -1.733) 1.827 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 2.769 4.137 0.002) 4.978 2.418 ( 11.071 6.074 -1.027) 12.670 3.164 ( 3.099 1.199 -0.126) 3.325 3.343 ( 3.780 4.375 5.419) 7.924 4.075 ( -1.417 -5.782 4.078) 7.216 4.740 ( -4.921 5.485 -5.666) 9.295 6.133 ( 5.561 2.039 -0.667) 5.960 6.336 ( -3.108 6.528 -0.371) 7.239 6.499 ( 3.878 3.624 0.114) 5.309 6.749 ( 0.555 -7.873 2.951) 8.426 7.208 ( -0.573 -2.706 -3.448) 4.420 8.329 ( -3.269 0.805 -0.233) 3.375 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 3.611 2.991 1.046) 4.804 2.706 ( 16.379 4.653 -1.675) 17.109 3.234 ( 4.496 0.133 -1.430) 4.719 3.490 ( 7.488 1.308 8.948) 11.741 4.001 ( -2.327 -4.997 2.743) 6.157 4.641 ( -8.849 3.121 -7.363) 11.927 6.236 ( 4.692 -0.140 -1.357) 4.886 6.367 ( -0.134 5.554 0.643) 5.592 6.586 ( 1.477 2.537 -0.437) 2.968 6.731 ( 5.503 -4.710 2.808) 7.769 7.173 ( -0.680 -0.356 -2.443) 2.560 8.259 ( -5.845 0.474 0.467) 5.883 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 0.000 4.858 2.527) 5.476 2.374 ( -0.000 4.520 1.005) 4.630 3.142 ( -0.000 -0.029 -0.325) 0.326 3.367 ( 0.000 3.186 6.894) 7.594 4.045 ( 0.000 -5.317 3.499) 6.365 4.792 ( -0.000 1.323 -8.626) 8.727 6.087 ( -0.000 -0.259 -1.894) 1.911 6.452 ( -0.000 8.676 -0.554) 8.693 6.484 ( 0.000 2.548 1.361) 2.889 6.673 ( 0.000 -8.520 2.825) 8.976 7.190 ( -0.000 -0.048 -3.503) 3.504 8.366 ( 0.000 0.933 0.713) 1.174 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 1.196 3.800 3.053) 5.019 2.508 ( 10.579 2.765 0.960) 10.977 3.160 ( 2.909 -1.125 -1.024) 3.283 3.445 ( 3.221 1.761 9.769) 10.435 3.996 ( -1.303 -4.159 2.042) 4.813 4.724 ( -3.662 -2.084 -9.995) 10.847 6.119 ( 5.453 -2.091 -2.217) 6.246 6.454 ( -3.350 3.359 0.731) 4.800 6.570 ( 2.454 -0.552 0.278) 2.531 6.637 ( 2.823 0.229 2.900) 4.053 7.183 ( -0.626 1.826 -2.932) 3.510 8.348 ( -3.532 0.873 1.052) 3.787 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 0.000 4.434 3.571) 5.693 2.429 ( 0.000 -0.250 1.870) 1.887 3.117 ( -0.000 -1.896 -0.755) 2.041 3.470 ( 0.000 1.556 11.630) 11.734 3.976 ( 0.000 -2.837 0.819) 2.953 4.673 ( -0.000 -6.860 -11.460) 13.356 6.036 ( -0.000 -3.284 -2.303) 4.011 6.484 ( 0.000 -7.772 0.568) 7.793 6.522 ( 0.000 0.160 1.576) 1.585 6.679 ( -0.000 9.999 2.072) 10.211 7.207 ( -0.000 3.597 -2.968) 4.663 8.393 ( 0.000 1.192 1.042) 1.583 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 0.000 -0.000 19.074) 19.074 0.861 ( 0.000 -0.000 19.074) 19.074 1.464 ( 0.000 -0.000 34.209) 34.209 2.890 ( -0.000 0.000 -3.761) 3.761 2.890 ( -0.000 0.000 -3.761) 3.761 5.060 ( -0.000 0.000 -16.504) 16.504 5.312 ( -0.000 0.000 -2.669) 2.669 5.312 ( -0.000 0.000 -2.669) 2.669 6.546 ( 0.000 -0.000 1.752) 1.752 6.546 ( 0.000 -0.000 1.752) 1.752 8.383 ( 0.000 -0.000 7.284) 7.284 8.771 ( -0.000 0.000 -3.132) 3.132 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 3.870 2.234 17.257) 17.826 1.113 ( 9.686 5.592 19.648) 22.608 1.664 ( 9.451 5.457 18.858) 21.788 2.906 ( 1.613 0.931 -3.573) 4.029 2.961 ( 8.425 4.864 -0.890) 9.769 4.754 ( -8.007 -4.623 -8.124) 12.307 5.362 ( 3.797 2.192 -2.807) 5.206 5.932 ( 34.733 20.053 -19.313) 44.514 6.520 ( -2.103 -1.214 1.843) 3.049 6.538 ( -1.938 -1.119 1.034) 2.465 8.347 ( -5.022 -2.899 7.287) 9.313 8.706 ( -5.009 -2.892 -3.503) 6.762 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 10.300 5.947 12.105) 16.970 1.347 ( 5.527 3.191 21.355) 22.289 1.977 ( 16.453 9.499 -3.981) 19.411 2.939 ( 2.226 1.285 -3.135) 4.054 3.255 ( 16.249 9.382 5.335) 19.507 4.627 ( -2.306 -1.331 -7.064) 7.549 5.463 ( 6.029 3.481 -2.825) 7.513 6.467 ( -3.916 -2.261 -0.414) 4.541 6.469 ( -2.860 -1.651 1.888) 3.804 6.546 ( 24.181 13.961 -14.928) 31.662 8.216 ( -8.451 -4.879 7.370) 12.229 8.531 ( -9.226 -5.327 -4.822) 11.694 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 13.225 7.636 7.246) 16.903 1.520 ( 6.027 3.480 12.721) 14.501 2.361 ( 19.104 11.030 -8.162) 23.521 2.985 ( 2.617 1.511 -2.500) 3.922 3.655 ( 16.585 9.575 6.577) 20.248 4.585 ( -0.202 -0.117 -4.253) 4.259 5.611 ( 7.750 4.474 -2.517) 9.296 6.363 ( -4.680 -2.702 -0.028) 5.404 6.412 ( -2.542 -1.468 1.774) 3.430 6.932 ( 13.459 7.771 -9.971) 18.465 8.013 ( -11.992 -6.924 5.860) 15.036 8.307 ( -7.853 -4.534 -4.107) 9.955 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 8.217 4.744 5.247) 10.842 1.733 ( 13.359 7.713 3.653) 15.852 2.757 ( 17.729 10.236 -5.690) 21.248 3.038 ( 2.666 1.539 -1.736) 3.535 3.993 ( 11.597 6.696 4.396) 14.094 4.581 ( 0.365 0.211 -1.287) 1.354 5.785 ( 8.105 4.679 -1.663) 9.505 6.276 ( -2.724 -1.573 -0.039) 3.146 6.374 ( -1.063 -0.614 1.292) 1.782 7.082 ( 2.719 1.570 -7.940) 8.538 7.708 ( -15.468 -8.930 1.791) 17.950 8.213 ( -0.227 -0.131 0.708) 0.755 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 8.256 4.766 0.865) 9.572 2.021 ( 11.507 6.644 1.160) 13.338 3.090 ( 2.211 1.277 -0.906) 2.709 3.097 ( 13.641 7.876 -4.560) 16.398 4.188 ( 4.694 2.710 1.983) 5.771 4.587 ( 0.338 0.195 1.633) 1.679 5.945 ( 6.058 3.498 -0.096) 6.996 6.252 ( 0.742 0.428 -0.313) 0.912 6.379 ( 1.412 0.815 0.172) 1.639 7.041 ( -3.513 -2.028 -7.202) 8.266 7.385 ( -12.937 -7.469 2.447) 15.138 8.261 ( 3.178 1.835 1.695) 4.042 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 6.628 3.826 -1.995) 7.909 2.246 ( 8.366 4.830 -0.534) 9.675 3.127 ( 1.166 0.673 -0.082) 1.349 3.327 ( 8.409 4.855 -6.190) 11.515 4.199 ( -3.255 -1.879 -2.708) 4.632 4.630 ( 2.262 1.306 8.014) 8.428 6.042 ( 2.374 1.370 1.616) 3.182 6.310 ( 4.532 2.617 -0.306) 5.242 6.434 ( 3.307 1.910 -1.156) 3.990 6.895 ( -7.500 -4.330 -5.757) 10.399 7.189 ( -5.182 -2.992 4.330) 7.386 8.333 ( 2.597 1.499 0.350) 3.019 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 5.068 2.926 -3.603) 6.872 2.387 ( 4.421 2.552 -1.585) 5.345 3.138 ( -0.307 -0.178 0.572) 0.673 3.442 ( 4.211 2.431 -9.365) 10.552 4.078 ( -5.444 -3.143 -3.567) 7.228 4.698 ( 0.096 0.055 11.727) 11.728 6.067 ( -0.543 -0.313 2.377) 2.458 6.448 ( 7.403 4.274 0.267) 8.553 6.499 ( 2.424 1.400 -1.688) 3.269 6.702 ( -7.802 -4.505 -3.411) 9.633 7.155 ( 0.339 0.196 3.859) 3.879 8.374 ( 1.245 0.719 -0.973) 1.736 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.000 12.596 17.075) 21.218 1.126 ( 0.000 10.794 12.168) 16.266 1.738 ( 0.000 9.091 21.141) 23.013 2.859 ( -0.000 0.173 -3.387) 3.392 2.973 ( -0.000 9.314 -1.526) 9.438 4.733 ( -0.000 -9.415 -8.397) 12.615 5.298 ( -0.000 1.687 -1.730) 2.416 5.902 ( -0.000 38.641 -16.862) 42.160 6.517 ( 0.000 -3.325 1.472) 3.636 6.553 ( 0.000 -1.013 1.219) 1.584 8.364 ( 0.000 -6.615 7.217) 9.790 8.712 ( -0.000 -3.439 -4.144) 5.385 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -0.575 14.721 10.939) 18.349 1.388 ( 6.767 10.468 17.103) 21.163 1.907 ( 3.755 12.970 2.174) 13.676 2.901 ( 3.733 1.475 -3.091) 5.066 3.146 ( 8.855 12.218 3.520) 15.495 4.616 ( -1.846 -3.841 -7.062) 8.248 5.379 ( 5.986 2.909 -1.784) 6.890 6.339 ( 15.292 26.561 -14.778) 34.026 6.469 ( -1.580 -4.364 1.176) 4.788 6.523 ( -2.299 -1.316 0.875) 2.789 8.273 ( -3.922 -9.192 7.071) 12.242 8.605 ( -6.310 -4.582 -5.222) 9.386 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 5.277 14.580 6.518) 16.820 1.587 ( 0.374 9.405 16.438) 18.942 2.181 ( 13.526 15.912 -8.524) 22.557 2.966 ( 2.304 3.358 -3.154) 5.151 3.495 ( 15.377 11.156 6.083) 19.948 4.559 ( 0.160 -1.674 -4.726) 5.016 5.525 ( 7.229 5.250 -2.025) 9.161 6.384 ( -2.993 -4.999 0.651) 5.863 6.465 ( -3.107 -0.584 0.832) 3.269 6.761 ( 14.230 13.901 -9.498) 22.044 8.108 ( -6.910 -10.526 6.543) 14.190 8.400 ( -9.560 -4.575 -5.475) 11.929 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 7.207 10.572 2.963) 13.133 1.752 ( 2.444 14.131 10.339) 17.679 2.572 ( 16.424 15.057 -5.900) 23.049 3.027 ( 1.718 4.196 -2.565) 5.209 3.854 ( 13.809 7.438 3.866) 16.155 4.550 ( 1.432 -1.408 -2.172) 2.959 5.706 ( 7.627 7.138 -1.866) 10.612 6.290 ( -2.641 -4.190 0.381) 4.968 6.419 ( -2.623 0.858 1.059) 2.956 7.001 ( 6.706 4.159 -7.203) 10.684 7.860 ( -12.251 -10.737 2.681) 16.509 8.232 ( -3.771 -2.255 -0.846) 4.475 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 6.082 7.821 2.187) 10.146 1.999 ( 5.350 15.870 4.910) 17.453 2.951 ( 13.712 12.259 -3.732) 18.768 3.089 ( 1.437 4.932 -1.772) 5.435 4.106 ( 8.855 3.013 1.935) 9.551 4.555 ( 1.706 -2.391 -0.728) 3.026 5.895 ( 6.472 7.817 -1.143) 10.213 6.232 ( -0.184 -2.540 0.113) 2.549 6.405 ( -1.323 2.791 0.808) 3.193 7.036 ( -0.569 -1.563 -6.550) 6.758 7.541 ( -13.783 -8.717 1.182) 16.351 8.221 ( 2.650 -0.676 2.288) 3.566 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 4.975 6.603 0.400) 8.277 2.237 ( 4.034 14.267 2.005) 14.961 3.130 ( 1.152 3.458 -0.751) 3.721 3.249 ( 7.688 10.324 -4.518) 13.641 4.199 ( 0.603 -1.702 -1.195) 2.165 4.580 ( 4.702 -2.472 3.365) 6.288 6.049 ( 2.805 7.260 0.313) 7.790 6.242 ( 3.602 -0.808 -0.289) 3.703 6.436 ( 0.572 4.437 0.082) 4.474 6.943 ( -4.819 -3.547 -5.922) 8.419 7.282 ( -8.942 -5.055 3.261) 10.777 8.281 ( 3.979 -1.001 1.518) 4.375 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 3.467 4.996 -1.660) 6.303 2.413 ( 1.021 12.393 0.126) 12.436 3.162 ( -0.771 2.794 0.321) 2.916 3.402 ( 2.874 6.806 -7.260) 10.358 4.113 ( -4.460 -4.397 -3.987) 7.425 4.673 ( 5.485 -2.396 8.788) 10.633 6.122 ( -1.693 5.507 1.695) 6.006 6.336 ( 7.217 0.879 -0.321) 7.278 6.503 ( 1.689 5.021 -0.580) 5.329 6.782 ( -7.637 -3.843 -4.061) 9.465 7.174 ( -2.024 -1.419 3.843) 4.569 8.329 ( 3.057 -1.987 -0.185) 3.651 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -0.000 12.306 4.007) 12.942 1.452 ( 0.000 16.498 13.432) 21.275 2.045 ( -0.000 16.097 -0.804) 16.117 2.861 ( -0.000 1.718 -1.661) 2.389 3.225 ( -0.000 15.389 4.698) 16.090 4.572 ( -0.000 -3.736 -5.498) 6.648 5.361 ( -0.000 5.388 0.048) 5.388 6.436 ( -0.000 5.316 -2.077) 5.707 6.449 ( -0.000 15.792 -8.133) 17.764 6.525 ( 0.000 -2.216 0.235) 2.228 8.219 ( 0.000 -12.335 6.424) 13.908 8.598 ( -0.000 -4.658 -6.555) 8.041 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.130 14.139 2.156) 14.303 1.698 ( 4.518 11.728 10.597) 16.440 2.205 ( 2.178 20.151 -8.447) 21.958 2.926 ( 4.556 2.697 -2.098) 5.696 3.454 ( 6.474 15.701 7.154) 18.429 4.527 ( -0.101 -2.204 -3.070) 3.781 5.471 ( 5.251 7.003 0.264) 8.757 6.377 ( -1.775 -5.310 1.054) 5.697 6.491 ( -1.239 -1.746 -0.224) 2.153 6.703 ( 7.273 16.819 -6.872) 19.570 8.086 ( -2.678 -13.804 5.824) 15.219 8.476 ( -6.265 -4.374 -7.345) 10.598 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 3.422 12.038 0.054) 12.515 1.897 ( 2.622 14.021 8.043) 16.376 2.492 ( 10.375 20.316 -6.200) 23.639 3.021 ( 3.504 4.057 -2.749) 6.024 3.748 ( 9.449 11.427 4.630) 15.533 4.509 ( 0.775 -1.894 -0.653) 2.148 5.655 ( 7.130 8.806 -0.174) 11.332 6.293 ( -2.556 -4.657 0.725) 5.362 6.459 ( -1.200 -0.092 -0.084) 1.207 6.921 ( 6.266 6.582 -4.375) 10.086 7.902 ( -5.538 -13.673 4.283) 15.362 8.296 ( -7.314 -2.663 -5.362) 9.451 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 4.631 9.776 0.222) 10.820 2.126 ( 3.342 17.683 6.176) 19.027 2.859 ( 12.289 16.802 -3.232) 21.066 3.109 ( 2.470 5.845 -2.185) 6.711 3.992 ( 8.574 5.389 1.216) 10.200 4.501 ( 0.882 -3.183 0.176) 3.307 5.867 ( 7.011 9.988 -0.520) 12.214 6.219 ( -1.513 -3.151 0.502) 3.531 6.454 ( -0.710 2.332 0.159) 2.442 6.999 ( 1.384 -0.581 -4.175) 4.436 7.656 ( -9.974 -11.206 1.312) 15.059 8.194 ( -1.102 -1.427 -0.344) 1.835 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 4.286 8.277 0.626) 9.342 2.368 ( 2.218 18.352 4.571) 19.042 3.130 ( 4.465 6.790 -1.562) 8.276 3.247 ( 5.523 13.354 -2.815) 14.723 4.140 ( 4.879 0.194 -0.226) 4.888 4.478 ( 2.326 -5.451 0.499) 5.947 6.068 ( 5.293 10.026 -0.477) 11.348 6.193 ( 0.877 -1.388 0.341) 1.677 6.481 ( -0.145 4.398 0.344) 4.414 6.955 ( -2.341 -2.882 -4.234) 5.631 7.394 ( -9.964 -7.262 1.368) 12.405 8.204 ( 3.170 -2.184 1.504) 4.133 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 2.605 6.558 0.029) 7.057 2.571 ( -0.518 17.771 3.050) 18.038 3.208 ( 0.152 4.580 0.103) 4.584 3.432 ( 1.830 11.670 -5.945) 13.224 4.122 ( -3.194 -4.281 -3.578) 6.428 4.530 ( 8.884 -5.580 5.423) 11.810 6.207 ( 0.087 5.296 1.010) 5.392 6.241 ( 5.469 3.855 -0.743) 6.732 6.530 ( 0.572 4.556 0.468) 4.616 6.853 ( -5.458 -1.895 -3.845) 6.940 7.220 ( -4.909 -3.388 2.735) 6.562 8.241 ( 3.754 -3.658 0.619) 5.278 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -0.000 12.584 -2.273) 12.787 1.779 ( -0.000 10.779 3.697) 11.395 2.368 ( -0.000 21.350 -10.469) 23.779 2.905 ( -0.000 3.158 0.547) 3.205 3.600 ( 0.000 18.190 8.555) 20.101 4.503 ( 0.000 -1.850 -0.501) 1.916 5.505 ( -0.000 8.743 1.906) 8.949 6.346 ( 0.000 -5.034 1.035) 5.139 6.476 ( -0.000 -2.422 -0.954) 2.603 6.782 ( -0.000 13.365 -3.328) 13.774 7.980 ( 0.000 -15.467 4.578) 16.130 8.465 ( -0.000 -3.844 -8.545) 9.369 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 0.600 11.368 -3.456) 11.897 1.940 ( 6.770 10.209 -0.749) 12.272 2.572 ( 3.317 21.709 -6.679) 22.954 2.979 ( 4.047 3.481 -0.111) 5.339 3.812 ( 1.672 16.128 6.431) 17.443 4.488 ( -0.062 -1.600 2.018) 2.575 5.645 ( 4.784 9.923 1.953) 11.187 6.288 ( -1.699 -4.181 0.691) 4.565 6.455 ( 0.431 -1.388 -1.201) 1.885 6.902 ( 2.706 6.193 -0.812) 6.806 7.827 ( -1.601 -15.442 3.382) 15.889 8.362 ( -5.095 -2.273 -7.905) 9.676 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 3.323 9.598 -2.372) 10.431 2.191 ( 9.001 13.286 -0.119) 16.048 2.854 ( 7.873 18.838 -2.774) 20.604 3.091 ( 4.847 4.493 -0.626) 6.638 3.983 ( 1.641 10.214 2.092) 10.555 4.476 ( -0.573 -2.198 2.853) 3.646 5.851 ( 6.768 10.661 1.078) 12.674 6.222 ( -1.992 -2.753 0.324) 3.414 6.464 ( 1.328 0.923 -0.872) 1.837 6.964 ( 1.300 -0.269 -0.510) 1.422 7.650 ( -3.616 -13.838 1.734) 14.408 8.236 ( -5.166 -0.366 -4.481) 6.849 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 4.399 8.419 -0.497) 9.512 2.474 ( 7.445 15.425 1.282) 17.175 3.118 ( 5.354 9.234 -1.229) 10.744 3.262 ( 7.809 12.124 -0.302) 14.424 4.084 ( 2.349 3.740 0.087) 4.417 4.427 ( -2.175 -4.737 1.022) 5.311 6.066 ( 6.098 10.025 0.065) 11.734 6.183 ( -0.404 -0.537 0.335) 0.751 6.509 ( 1.603 3.256 -0.318) 3.643 6.945 ( -0.831 -2.778 -1.110) 3.105 7.452 ( -6.020 -10.227 0.397) 11.874 8.171 ( -1.263 -0.686 -0.644) 1.575 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 3.266 6.810 0.185) 7.555 2.731 ( 3.912 16.315 2.295) 16.933 3.236 ( 2.158 5.224 -0.073) 5.652 3.509 ( 4.015 14.533 -2.718) 15.320 4.123 ( -1.067 -0.846 -2.091) 2.496 4.351 ( 3.249 -8.511 2.446) 9.433 6.178 ( 2.176 0.839 -0.024) 2.332 6.265 ( 3.756 8.827 -0.022) 9.593 6.563 ( 0.597 3.075 0.394) 3.157 6.899 ( -1.963 -0.220 -1.592) 2.537 7.275 ( -5.446 -5.822 0.860) 8.019 8.159 ( 1.495 -2.949 0.474) 3.340 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -0.000 12.205 -4.652) 13.061 1.922 ( -0.000 6.323 -7.366) 9.708 2.730 ( -0.000 19.980 -4.971) 20.589 2.983 ( 0.000 3.857 1.804) 4.258 3.985 ( -0.000 15.630 5.138) 16.453 4.489 ( 0.000 -0.740 4.688) 4.746 5.710 ( -0.000 10.411 2.977) 10.828 6.271 ( 0.000 -2.885 0.482) 2.925 6.427 ( -0.000 -1.604 -1.931) 2.511 6.929 ( 0.000 2.733 1.819) 3.283 7.696 ( 0.000 -15.348 1.614) 15.433 8.363 ( -0.000 -1.204 -8.029) 8.119 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 0.517 8.395 -4.774) 9.672 2.105 ( 11.281 9.707 -5.820) 15.980 2.929 ( 3.509 17.103 -1.724) 17.544 3.057 ( 3.575 3.918 1.518) 5.517 4.106 ( -1.897 9.846 1.885) 10.203 4.498 ( -1.294 0.996 5.288) 5.535 5.860 ( 4.589 10.296 2.422) 11.530 6.234 ( -1.789 -1.347 -0.007) 2.239 6.430 ( 2.243 -0.084 -1.695) 2.812 6.947 ( 0.282 -1.512 2.651) 3.065 7.549 ( -0.779 -13.902 0.112) 13.924 8.301 ( -3.806 0.413 -5.897) 7.031 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 4.133 7.583 -1.811) 8.824 2.408 ( 13.988 10.758 -4.002) 18.095 3.123 ( 3.743 7.628 -0.239) 8.500 3.223 ( 8.947 10.158 2.403) 13.748 4.134 ( -2.259 3.312 1.040) 4.142 4.473 ( -4.918 1.055 1.707) 5.311 6.060 ( 6.423 9.764 1.129) 11.742 6.196 ( -1.605 0.125 -0.321) 1.641 6.487 ( 3.573 2.071 -0.950) 4.238 6.925 ( -0.371 -3.793 2.260) 4.431 7.404 ( -1.646 -11.353 -0.868) 11.504 8.224 ( -4.520 1.179 -2.631) 5.361 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -0.000 5.312 -7.005) 8.791 2.065 ( -0.000 11.010 -3.382) 11.517 3.050 ( -0.000 14.164 0.296) 14.167 3.066 ( 0.000 3.407 1.598) 3.763 4.193 ( 0.000 2.831 1.455) 3.183 4.562 ( 0.000 5.769 4.152) 7.108 5.920 ( -0.000 8.863 2.374) 9.176 6.251 ( -0.000 0.914 -0.094) 0.919 6.400 ( -0.000 0.310 -1.841) 1.867 6.932 ( 0.000 -3.777 4.187) 5.639 7.425 ( 0.000 -12.072 -1.867) 12.215 8.325 ( -0.000 1.190 -4.805) 4.950 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 2.511 6.271 -2.517) 7.208 2.262 ( 11.246 9.278 -3.317) 14.952 3.124 ( 2.555 3.204 0.694) 4.156 3.214 ( 4.661 10.557 3.122) 11.955 4.182 ( -1.783 -2.220 2.574) 3.838 4.598 ( -4.195 6.414 -0.754) 7.701 6.046 ( 5.044 7.039 0.985) 8.715 6.243 ( -2.507 2.573 -0.368) 3.611 6.440 ( 3.545 2.183 -0.845) 4.248 6.896 ( -0.264 -5.692 4.342) 7.164 7.310 ( -0.309 -9.276 -2.948) 9.738 8.300 ( -3.195 1.787 -2.507) 4.437 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -0.000 5.817 -0.673) 5.856 2.246 ( -0.000 8.746 -0.552) 8.763 3.125 ( -0.000 1.804 0.492) 1.870 3.279 ( 0.000 8.226 4.439) 9.347 4.169 ( 0.000 -5.091 3.767) 6.333 4.691 ( -0.000 5.908 -5.074) 7.788 6.052 ( -0.000 3.692 -0.457) 3.720 6.310 ( -0.000 5.350 -0.268) 5.357 6.428 ( -0.000 3.080 0.252) 3.091 6.847 ( 0.000 -7.698 4.695) 9.017 7.228 ( -0.000 -5.771 -4.150) 7.108 8.340 ( -0.000 1.910 -1.120) 2.214 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 0.000 -0.000 14.966) 14.966 1.018 ( 0.000 -0.000 14.966) 14.966 1.751 ( 0.000 -0.000 27.988) 27.988 2.855 ( -0.000 0.000 -3.651) 3.651 2.855 ( -0.000 0.000 -3.651) 3.651 4.910 ( -0.000 0.000 -15.667) 15.667 5.289 ( -0.000 0.000 -2.267) 2.267 5.289 ( -0.000 0.000 -2.267) 2.267 6.561 ( 0.000 -0.000 1.473) 1.473 6.561 ( 0.000 -0.000 1.473) 1.473 8.451 ( 0.000 -0.000 7.442) 7.442 8.739 ( -0.000 0.000 -3.983) 3.983 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 2.961 1.710 14.538) 14.935 1.267 ( 12.675 7.318 13.588) 19.971 1.817 ( -0.370 -0.214 14.480) 14.486 2.873 ( 1.726 0.996 -3.604) 4.118 2.959 ( 10.865 6.273 0.540) 12.558 4.675 ( -7.239 -4.180 -8.516) 11.933 5.336 ( 3.673 2.121 -2.790) 5.077 5.790 ( 32.119 18.544 -11.859) 38.938 6.537 ( -2.019 -1.165 1.722) 2.898 6.546 ( -2.257 -1.303 0.655) 2.687 8.414 ( -5.036 -2.908 7.365) 9.384 8.670 ( -5.198 -3.001 -4.492) 7.496 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 8.533 4.927 11.465) 15.118 1.544 ( 4.330 2.500 21.383) 21.960 1.919 ( 12.416 7.168 -8.477) 16.655 2.909 ( 2.453 1.416 -3.280) 4.334 3.301 ( 17.438 10.068 4.381) 20.607 4.564 ( -1.498 -0.865 -6.272) 6.507 5.436 ( 6.051 3.494 -3.151) 7.665 6.415 ( 21.448 12.383 -9.664) 26.585 6.478 ( 0.101 0.058 -0.985) 0.992 6.486 ( -2.830 -1.634 1.945) 3.802 8.283 ( -8.608 -4.970 7.062) 12.193 8.486 ( -9.350 -5.398 -4.763) 11.800 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 11.556 6.672 7.860) 15.486 1.642 ( 2.393 1.382 13.327) 13.611 2.292 ( 20.208 11.667 -6.458) 24.211 2.961 ( 2.925 1.689 -2.752) 4.357 3.701 ( 16.273 9.395 3.106) 19.045 4.546 ( 0.841 0.486 -3.989) 4.106 5.584 ( 7.995 4.616 -3.157) 9.757 6.362 ( -4.597 -2.654 -0.251) 5.315 6.430 ( -2.627 -1.517 2.063) 3.668 6.850 ( 14.164 8.178 -7.730) 18.090 8.053 ( -13.767 -7.948 2.269) 16.058 8.289 ( -5.948 -3.434 0.617) 6.896 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 5.832 3.367 7.960) 10.427 1.773 ( 12.021 6.940 4.823) 14.695 2.717 ( 18.289 10.559 -3.065) 21.340 3.021 ( 3.030 1.749 -2.095) 4.078 4.020 ( 11.367 6.563 1.462) 13.207 4.561 ( 1.186 0.685 -2.966) 3.267 5.765 ( 8.657 4.998 -2.650) 10.342 6.275 ( -2.732 -1.577 -0.133) 3.157 6.389 ( -1.383 -0.799 1.917) 2.495 7.013 ( 2.938 1.696 -6.873) 7.664 7.716 ( -15.454 -8.923 -0.111) 17.846 8.238 ( 0.077 0.044 4.601) 4.602 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 6.305 3.640 4.325) 8.468 2.038 ( 10.468 6.044 2.459) 12.335 3.064 ( 13.134 7.583 -2.633) 15.392 3.080 ( 2.613 1.508 -1.338) 3.300 4.198 ( 3.513 2.028 0.288) 4.067 4.588 ( 2.652 1.531 -1.373) 3.356 5.938 ( 6.975 4.027 -1.428) 8.180 6.250 ( 0.685 0.396 -0.074) 0.795 6.385 ( 0.731 0.422 1.178) 1.450 6.979 ( -3.367 -1.944 -6.126) 7.255 7.406 ( -11.739 -6.778 2.172) 13.728 8.286 ( 2.304 1.330 3.599) 4.475 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 0.000 12.497 14.495) 19.138 1.215 ( 0.000 8.384 7.213) 11.060 1.898 ( 0.000 1.518 13.360) 13.446 2.832 ( -0.000 0.574 -2.305) 2.375 2.966 ( -0.000 11.521 -0.060) 11.521 4.655 ( -0.000 -7.967 -8.163) 11.407 5.287 ( -0.000 2.165 -0.694) 2.274 5.778 ( -0.000 35.990 -10.470) 37.482 6.530 ( 0.000 -3.440 1.362) 3.700 6.562 ( 0.000 -1.257 0.619) 1.401 8.430 ( 0.000 -6.812 7.109) 9.846 8.669 ( -0.000 -3.998 -5.027) 6.423 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -0.175 11.362 8.367) 14.111 1.530 ( 11.195 10.903 13.423) 20.600 1.905 ( -2.771 6.534 -2.253) 7.446 2.875 ( 3.135 1.813 -2.501) 4.401 3.182 ( 10.037 13.922 3.905) 17.601 4.556 ( -1.545 -2.739 -5.693) 6.504 5.366 ( 5.035 3.724 -1.191) 6.375 6.230 ( 15.783 27.707 -8.952) 33.120 6.480 ( -1.797 -4.565 0.990) 5.005 6.529 ( -2.045 -1.511 0.441) 2.581 8.337 ( -3.824 -9.506 6.806) 12.300 8.554 ( -6.154 -5.332 -5.661) 9.917 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 5.414 11.257 5.992) 13.855 1.730 ( -1.002 5.870 13.830) 15.057 2.104 ( 14.726 16.936 -7.666) 23.716 2.938 ( 2.339 3.426 -2.709) 4.954 3.538 ( 14.651 11.563 2.990) 18.903 4.521 ( 0.511 -0.434 -3.401) 3.466 5.506 ( 6.550 6.109 -2.003) 9.178 6.389 ( -3.300 -4.746 0.365) 5.792 6.472 ( -2.467 -0.966 0.818) 2.773 6.690 ( 14.295 15.093 -5.888) 21.606 8.160 ( -8.148 -11.004 4.174) 14.314 8.360 ( -7.550 -5.033 -2.798) 9.496 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 7.510 8.380 3.970) 11.932 1.843 ( 1.107 12.497 9.199) 15.557 2.532 ( 17.304 15.511 -2.529) 23.375 3.004 ( 1.987 4.269 -2.339) 5.258 3.874 ( 13.297 7.335 0.296) 15.189 4.529 ( 1.409 -0.365 -2.422) 2.826 5.686 ( 7.352 7.933 -2.293) 11.056 6.293 ( -2.805 -3.958 0.175) 4.854 6.430 ( -2.282 0.316 1.325) 2.657 6.944 ( 6.202 4.928 -5.201) 9.476 7.870 ( -13.534 -10.465 -0.467) 17.115 8.245 ( -1.356 -3.200 3.639) 5.032 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 6.365 6.083 3.776) 9.580 2.050 ( 3.409 15.443 6.078) 16.942 2.927 ( 13.629 12.148 -1.248) 18.300 3.073 ( 1.705 4.948 -1.864) 5.556 4.115 ( 8.929 2.791 0.003) 9.355 4.537 ( 1.961 -1.318 -3.186) 3.966 5.881 ( 6.684 8.526 -2.006) 11.018 6.233 ( -0.343 -2.419 0.192) 2.451 6.415 ( -1.331 2.289 1.378) 2.985 6.982 ( -0.917 -0.994 -4.986) 5.166 7.548 ( -12.945 -8.204 0.374) 15.330 8.253 ( 2.707 -1.781 4.579) 5.610 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -0.000 10.359 -0.700) 10.383 1.579 ( 0.000 14.321 14.202) 20.169 2.001 ( -0.000 9.893 -8.686) 13.165 2.853 ( -0.000 2.292 -0.016) 2.292 3.275 ( -0.000 17.611 5.549) 18.465 4.528 ( -0.000 -2.129 -3.944) 4.482 5.367 ( -0.000 5.925 1.257) 6.057 6.363 ( -0.000 28.161 -6.341) 28.866 6.452 ( 0.000 -5.062 1.294) 5.225 6.524 ( 0.000 -2.534 -0.486) 2.581 8.277 ( 0.000 -12.876 6.152) 14.270 8.536 ( -0.000 -5.626 -6.966) 8.955 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 1.628 11.442 -0.611) 11.573 1.784 ( 5.094 6.571 7.786) 11.390 2.121 ( 3.337 20.836 -9.160) 23.004 2.914 ( 3.354 3.118 -0.456) 4.602 3.513 ( 5.492 16.651 5.358) 18.333 4.505 ( -0.036 -0.464 -1.616) 1.681 5.477 ( 4.355 7.705 1.021) 8.909 6.386 ( -1.912 -5.359 0.747) 5.739 6.487 ( -0.903 -1.916 -0.684) 2.226 6.659 ( 7.204 18.558 -2.659) 20.084 8.137 ( -2.746 -14.529 5.106) 15.643 8.411 ( -5.440 -5.132 -6.776) 10.092 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 4.544 10.050 0.085) 11.030 1.951 ( 4.441 11.080 3.185) 12.354 2.450 ( 11.603 20.973 -2.512) 24.100 3.003 ( 3.016 4.363 -1.044) 5.406 3.777 ( 7.711 11.561 1.681) 13.998 4.504 ( 0.421 -0.343 -0.293) 0.617 5.654 ( 6.247 9.576 -0.073) 11.434 6.298 ( -2.645 -4.652 0.317) 5.361 6.459 ( -0.709 -0.516 -0.060) 0.879 6.894 ( 5.342 7.749 -1.544) 9.537 7.931 ( -6.921 -13.920 1.829) 15.653 8.259 ( -4.368 -3.571 -2.217) 6.062 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 5.583 8.649 1.365) 10.384 2.173 ( 4.478 15.949 3.731) 16.981 2.843 ( 12.504 16.794 -0.302) 20.939 3.093 ( 2.258 6.156 -1.077) 6.645 3.995 ( 8.127 5.480 -0.509) 9.815 4.495 ( -0.089 -2.065 -1.405) 2.499 5.860 ( 6.497 10.644 -0.883) 12.501 6.223 ( -1.512 -3.135 0.166) 3.485 6.457 ( -0.320 1.902 0.554) 2.006 6.971 ( 0.326 0.269 -1.987) 2.032 7.660 ( -10.448 -10.781 -0.420) 15.019 8.204 ( 0.962 -2.833 2.398) 3.835 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -0.000 11.899 -5.175) 12.976 1.795 ( -0.000 4.554 -1.108) 4.687 2.283 ( -0.000 23.261 -6.983) 24.286 2.916 ( 0.000 3.509 1.768) 3.929 3.670 ( -0.000 18.370 6.228) 19.397 4.503 ( 0.000 0.157 0.574) 0.595 5.527 ( -0.000 9.101 2.773) 9.515 6.354 ( 0.000 -5.132 0.703) 5.180 6.465 ( -0.000 -2.733 -1.561) 3.147 6.770 ( -0.000 15.096 0.686) 15.112 8.020 ( 0.000 -16.515 4.169) 17.033 8.388 ( -0.000 -4.259 -8.235) 9.271 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 1.725 10.571 -4.083) 11.463 1.912 ( 8.766 7.561 -5.496) 12.815 2.530 ( 4.364 22.790 -2.279) 23.316 2.986 ( 3.086 3.832 1.455) 5.131 3.859 ( 0.463 15.376 3.486) 15.773 4.507 ( -0.388 0.281 2.200) 2.251 5.665 ( 4.045 10.237 2.297) 11.245 6.292 ( -1.806 -4.328 0.252) 4.696 6.443 ( 0.831 -1.658 -1.402) 2.325 6.909 ( 2.029 7.234 2.385) 7.883 7.855 ( -1.689 -16.583 2.596) 16.870 8.294 ( -3.906 -2.209 -6.715) 8.077 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -0.000 12.733 -5.189) 13.750 1.847 ( -0.000 5.485 -8.702) 10.286 2.705 ( -0.000 21.089 -0.595) 21.097 3.001 ( 0.000 3.787 2.142) 4.351 4.018 ( -0.000 13.897 1.972) 14.036 4.529 ( 0.000 0.977 4.042) 4.158 5.738 ( -0.000 10.350 3.084) 10.799 6.274 ( 0.000 -3.067 0.239) 3.076 6.408 ( -0.000 -1.711 -2.112) 2.718 6.959 ( 0.000 3.248 4.731) 5.738 7.709 ( 0.000 -16.826 1.217) 16.870 8.293 ( -0.000 -0.374 -7.070) 7.080 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 0.000 -0.000 9.667) 9.667 1.131 ( 0.000 -0.000 9.667) 9.667 1.967 ( 0.000 -0.000 18.869) 18.869 2.825 ( -0.000 0.000 -2.722) 2.722 2.825 ( -0.000 0.000 -2.722) 2.722 4.783 ( -0.000 0.000 -11.608) 11.608 5.272 ( -0.000 0.000 -1.510) 1.510 5.272 ( -0.000 0.000 -1.510) 1.510 6.573 ( 0.000 -0.000 0.974) 0.974 6.573 ( 0.000 -0.000 0.974) 0.974 8.517 ( 0.000 -0.000 6.983) 6.983 8.699 ( -0.000 0.000 -4.711) 4.711 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 3.039 1.754 10.281) 10.864 1.356 ( 14.486 8.364 5.666) 17.661 1.926 ( -6.967 -4.023 9.240) 12.252 2.843 ( 1.664 0.961 -2.881) 3.463 2.968 ( 12.804 7.393 1.048) 14.822 4.607 ( -6.213 -3.587 -5.973) 9.335 5.312 ( 3.354 1.937 -2.320) 4.515 5.711 ( 30.139 17.401 -5.593) 35.248 6.549 ( -2.537 -1.465 0.109) 2.931 6.551 ( -1.840 -1.063 1.328) 2.506 8.479 ( -5.013 -2.894 6.665) 8.828 8.626 ( -5.305 -3.063 -4.944) 7.871 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 7.750 4.474 9.094) 12.758 1.731 ( 6.929 4.001 18.760) 20.395 1.827 ( 7.996 4.617 -11.282) 14.578 2.881 ( 2.521 1.455 -2.795) 4.035 3.327 ( 17.514 10.112 0.986) 20.247 4.519 ( -0.992 -0.572 -3.407) 3.595 5.407 ( 5.880 3.395 -2.944) 7.400 6.347 ( 24.861 14.353 -4.736) 29.095 6.472 ( -3.171 -1.831 -0.752) 3.738 6.503 ( -2.685 -1.550 1.672) 3.522 8.335 ( -9.815 -5.667 3.342) 11.816 8.453 ( -7.928 -4.577 -1.441) 9.267 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 10.531 6.080 7.138) 14.100 1.748 ( 0.906 0.523 9.036) 9.096 2.255 ( 21.379 12.343 -0.964) 24.705 2.936 ( 3.092 1.785 -2.531) 4.376 3.707 ( 16.001 9.238 -1.751) 18.559 4.516 ( 1.004 0.580 -2.410) 2.675 5.555 ( 8.034 4.638 -3.226) 9.821 6.359 ( -4.513 -2.605 -0.421) 5.228 6.448 ( -2.556 -1.476 1.965) 3.546 6.794 ( 13.974 8.068 -4.534) 16.760 8.051 ( -14.750 -8.516 -2.229) 17.177 8.321 ( -4.298 -2.482 5.906) 7.715 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -0.000 6.223 1.310) 6.360 1.312 ( 0.000 14.107 9.636) 17.084 1.979 ( 0.000 -5.417 4.502) 7.044 2.819 ( -0.000 1.105 -0.548) 1.233 2.970 ( -0.000 13.929 0.713) 13.947 4.593 ( -0.000 -6.773 -4.775) 8.287 5.285 ( -0.000 2.748 0.435) 2.782 5.708 ( -0.000 34.234 -5.009) 34.599 6.541 ( 0.000 -3.386 1.006) 3.532 6.564 ( 0.000 -1.549 -0.066) 1.551 8.491 ( 0.000 -6.887 6.109) 9.206 8.621 ( -0.000 -4.529 -5.230) 6.918 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 2.222 8.364 3.165) 9.215 1.623 ( 13.133 16.069 6.074) 21.623 1.878 ( -5.367 -1.897 -2.496) 6.215 2.858 ( 2.136 2.349 -0.975) 3.321 3.209 ( 9.696 15.311 1.712) 18.204 4.518 ( -1.233 -2.079 -2.224) 3.284 5.358 ( 3.689 4.634 -0.417) 5.938 6.175 ( 16.071 28.020 -2.988) 32.440 6.486 ( -2.224 -4.460 0.394) 5.000 6.531 ( -1.520 -1.840 0.116) 2.390 8.391 ( -4.309 -9.649 4.290) 11.405 8.507 ( -5.181 -5.962 -3.902) 8.809 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 6.655 8.656 3.805) 11.563 1.815 ( -1.644 3.888 3.019) 5.189 2.065 ( 17.465 17.467 0.992) 24.721 2.919 ( 1.908 3.787 -1.405) 4.467 3.545 ( 13.239 12.248 -1.431) 18.092 4.501 ( 0.397 0.067 -0.887) 0.974 5.489 ( 5.587 6.940 -1.638) 9.059 6.390 ( -3.563 -4.483 -0.160) 5.728 6.480 ( -1.723 -1.377 0.837) 2.359 6.655 ( 13.604 15.586 -1.746) 20.761 8.172 ( -10.633 -10.517 -1.735) 15.056 8.361 ( -3.837 -6.140 3.332) 7.970 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -0.000 9.159 -5.325) 10.595 1.707 ( 0.000 14.210 13.535) 19.624 1.891 ( -0.000 4.722 -14.865) 15.597 2.860 ( 0.000 2.730 1.627) 3.178 3.317 ( -0.000 19.286 3.190) 19.548 4.506 ( -0.000 -1.208 -0.604) 1.351 5.383 ( -0.000 6.415 2.273) 6.806 6.330 ( -0.000 28.939 -0.904) 28.953 6.463 ( 0.000 -4.559 1.118) 4.694 6.516 ( -0.000 -2.842 -1.153) 3.067 8.327 ( 0.000 -13.087 4.241) 13.757 8.476 ( -0.000 -6.627 -5.642) 8.704 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 0.000 -0.000 3.359) 3.359 1.191 ( 0.000 -0.000 3.359) 3.359 2.087 ( 0.000 -0.000 6.751) 6.751 2.808 ( -0.000 0.000 -1.018) 1.018 2.808 ( -0.000 0.000 -1.018) 1.018 4.708 ( -0.000 0.000 -4.353) 4.353 5.262 ( -0.000 0.000 -0.529) 0.529 5.262 ( -0.000 0.000 -0.529) 0.529 6.579 ( 0.000 -0.000 0.340) 0.340 6.579 ( 0.000 -0.000 0.340) 0.340 8.574 ( 0.000 -0.000 4.885) 4.885 8.656 ( -0.000 0.000 -4.095) 4.095 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.64e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 3.910 2.257 4.802) 6.591 1.369 ( 14.002 8.084 -2.644) 16.382 1.984 ( -8.186 -4.726 3.190) 9.977 2.822 ( 1.391 0.803 -1.385) 2.121 2.974 ( 13.242 7.645 0.106) 15.291 4.574 ( -5.612 -3.240 -0.804) 6.530 5.294 ( 2.899 1.674 -1.491) 3.664 5.686 ( 29.269 16.899 -0.141) 33.797 6.548 ( -2.772 -1.600 -0.482) 3.236 6.560 ( -1.603 -0.926 0.745) 1.996 8.524 ( -5.491 -3.170 1.178) 6.448 8.591 ( -4.721 -2.725 -0.748) 5.502 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/40500 10.0 1378.721 1378.721 3499.318 -0.000 0.000 -0.000 3/40500 20.0 435.669 435.669 544.164 -0.000 0.000 -0.000 3/40500 30.0 174.875 174.875 140.006 -0.000 0.000 -0.000 3/40500 40.0 96.909 96.909 60.539 -0.000 -0.000 -0.000 3/40500 50.0 62.585 62.585 34.970 -0.000 -0.000 -0.000 3/40500 60.0 44.505 44.505 23.681 -0.000 -0.000 -0.000 3/40500 70.0 33.906 33.906 17.655 -0.000 -0.000 -0.000 3/40500 80.0 27.170 27.170 14.013 -0.000 -0.000 -0.000 3/40500 90.0 22.602 22.602 11.611 -0.000 -0.000 -0.000 3/40500 100.0 19.338 19.338 9.921 -0.000 -0.000 -0.000 3/40500 110.0 16.904 16.904 8.672 -0.000 -0.000 -0.000 3/40500 120.0 15.026 15.026 7.712 -0.000 -0.000 -0.000 3/40500 130.0 13.535 13.535 6.952 -0.000 -0.000 -0.000 3/40500 140.0 12.323 12.323 6.335 -0.000 -0.000 -0.000 3/40500 150.0 11.318 11.318 5.823 -0.000 -0.000 -0.000 3/40500 160.0 10.470 10.470 5.391 -0.000 -0.000 -0.000 3/40500 170.0 9.746 9.746 5.022 -0.000 -0.000 -0.000 3/40500 180.0 9.120 9.120 4.702 -0.000 -0.000 -0.000 3/40500 190.0 8.572 8.572 4.422 -0.000 -0.000 -0.000 3/40500 200.0 8.089 8.089 4.175 -0.000 -0.000 -0.000 3/40500 210.0 7.659 7.659 3.955 -0.000 -0.000 -0.000 3/40500 220.0 7.274 7.274 3.758 -0.000 -0.000 -0.000 3/40500 230.0 6.928 6.928 3.581 -0.000 -0.000 -0.000 3/40500 240.0 6.614 6.614 3.419 -0.000 -0.000 -0.000 3/40500 250.0 6.328 6.328 3.273 -0.000 -0.000 -0.000 3/40500 260.0 6.066 6.066 3.138 -0.000 -0.000 -0.000 3/40500 270.0 5.826 5.826 3.015 -0.000 -0.000 -0.000 3/40500 280.0 5.605 5.605 2.901 -0.000 -0.000 -0.000 3/40500 290.0 5.400 5.400 2.796 -0.000 -0.000 -0.000 3/40500 300.0 5.210 5.210 2.698 -0.000 -0.000 -0.000 3/40500 310.0 5.034 5.034 2.607 -0.000 -0.000 -0.000 3/40500 320.0 4.869 4.869 2.522 -0.000 -0.000 -0.000 3/40500 330.0 4.715 4.715 2.443 -0.000 -0.000 -0.000 3/40500 340.0 4.570 4.570 2.368 -0.000 -0.000 -0.000 3/40500 350.0 4.434 4.434 2.298 -0.000 -0.000 -0.000 3/40500 360.0 4.307 4.307 2.232 -0.000 -0.000 -0.000 3/40500 370.0 4.186 4.186 2.170 -0.000 -0.000 -0.000 3/40500 380.0 4.072 4.072 2.111 -0.000 -0.000 -0.000 3/40500 390.0 3.965 3.965 2.055 -0.000 -0.000 -0.000 3/40500 400.0 3.863 3.863 2.003 -0.000 -0.000 -0.000 3/40500 410.0 3.766 3.766 1.953 -0.000 -0.000 -0.000 3/40500 420.0 3.674 3.674 1.905 -0.000 -0.000 -0.000 3/40500 430.0 3.586 3.586 1.860 -0.000 -0.000 -0.000 3/40500 440.0 3.503 3.503 1.817 -0.000 -0.000 -0.000 3/40500 450.0 3.423 3.423 1.775 -0.000 -0.000 -0.000 3/40500 460.0 3.347 3.347 1.736 -0.000 -0.000 -0.000 3/40500 470.0 3.274 3.274 1.698 -0.000 -0.000 -0.000 3/40500 480.0 3.205 3.205 1.662 -0.000 -0.000 -0.000 3/40500 490.0 3.138 3.138 1.628 -0.000 -0.000 -0.000 3/40500 500.0 3.074 3.074 1.595 -0.000 -0.000 -0.000 3/40500 510.0 3.013 3.013 1.563 -0.000 -0.000 -0.000 3/40500 520.0 2.954 2.954 1.533 -0.000 -0.000 -0.000 3/40500 530.0 2.897 2.897 1.503 -0.000 -0.000 -0.000 3/40500 540.0 2.843 2.843 1.475 -0.000 -0.000 -0.000 3/40500 550.0 2.790 2.790 1.448 -0.000 -0.000 -0.000 3/40500 560.0 2.740 2.740 1.422 -0.000 -0.000 -0.000 3/40500 570.0 2.691 2.691 1.397 -0.000 -0.000 -0.000 3/40500 580.0 2.644 2.644 1.372 -0.000 -0.000 -0.000 3/40500 590.0 2.599 2.599 1.349 -0.000 -0.000 -0.000 3/40500 600.0 2.555 2.555 1.326 -0.000 -0.000 -0.000 3/40500 610.0 2.513 2.513 1.304 -0.000 -0.000 -0.000 3/40500 620.0 2.472 2.472 1.283 -0.000 -0.000 -0.000 3/40500 630.0 2.432 2.432 1.262 -0.000 -0.000 -0.000 3/40500 640.0 2.394 2.394 1.242 -0.000 -0.000 -0.000 3/40500 650.0 2.356 2.356 1.223 -0.000 -0.000 -0.000 3/40500 660.0 2.320 2.320 1.204 -0.000 -0.000 -0.000 3/40500 670.0 2.285 2.285 1.186 -0.000 -0.000 -0.000 3/40500 680.0 2.252 2.252 1.169 -0.000 -0.000 -0.000 3/40500 690.0 2.219 2.219 1.152 -0.000 -0.000 -0.000 3/40500 700.0 2.187 2.187 1.135 -0.000 -0.000 -0.000 3/40500 710.0 2.156 2.156 1.119 -0.000 -0.000 -0.000 3/40500 720.0 2.125 2.125 1.103 -0.000 -0.000 -0.000 3/40500 730.0 2.096 2.096 1.088 -0.000 -0.000 -0.000 3/40500 740.0 2.068 2.068 1.073 -0.000 -0.000 -0.000 3/40500 750.0 2.040 2.040 1.059 -0.000 -0.000 -0.000 3/40500 760.0 2.013 2.013 1.045 -0.000 -0.000 -0.000 3/40500 770.0 1.986 1.986 1.031 -0.000 -0.000 -0.000 3/40500 780.0 1.961 1.961 1.018 -0.000 -0.000 -0.000 3/40500 790.0 1.936 1.936 1.005 -0.000 -0.000 -0.000 3/40500 800.0 1.912 1.912 0.992 -0.000 -0.000 -0.000 3/40500 810.0 1.888 1.888 0.980 -0.000 -0.000 -0.000 3/40500 820.0 1.865 1.865 0.968 -0.000 -0.000 -0.000 3/40500 830.0 1.842 1.842 0.956 -0.000 -0.000 -0.000 3/40500 840.0 1.820 1.820 0.945 -0.000 -0.000 -0.000 3/40500 850.0 1.798 1.798 0.934 -0.000 -0.000 -0.000 3/40500 860.0 1.777 1.777 0.923 -0.000 -0.000 -0.000 3/40500 870.0 1.757 1.757 0.912 -0.000 -0.000 -0.000 3/40500 880.0 1.737 1.737 0.902 -0.000 -0.000 -0.000 3/40500 890.0 1.717 1.717 0.892 -0.000 -0.000 -0.000 3/40500 900.0 1.698 1.698 0.882 -0.000 -0.000 -0.000 3/40500 910.0 1.679 1.679 0.872 -0.000 -0.000 -0.000 3/40500 920.0 1.661 1.661 0.862 -0.000 -0.000 -0.000 3/40500 930.0 1.643 1.643 0.853 -0.000 -0.000 -0.000 3/40500 940.0 1.626 1.626 0.844 -0.000 -0.000 -0.000 3/40500 950.0 1.608 1.608 0.835 -0.000 -0.000 -0.000 3/40500 960.0 1.592 1.592 0.826 -0.000 -0.000 -0.000 3/40500 970.0 1.575 1.575 0.818 -0.000 -0.000 -0.000 3/40500 980.0 1.559 1.559 0.809 -0.000 -0.000 -0.000 3/40500 990.0 1.543 1.543 0.801 -0.000 -0.000 -0.000 3/40500 1000.0 1.528 1.528 0.793 -0.000 -0.000 -0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:42:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|