----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:21:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.683697745856848 0.972083346804415 5.494625249999992 b -1.683697745856844 0.972083346804415 5.494625249999992 c 0.000000000000002 -1.944166693608833 5.494625249999992 Atomic positions (fractional): *1 O 0.74187537872123 0.74187537872123 0.74187537872123 15.999 2 O 0.25812462127877 0.25812462127877 0.25812462127877 15.999 *3 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *4 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.367395491713692 0.000000000000000 0.000000000000000 b -1.683697745856846 2.916250040413249 0.000000000000000 c 0.000000000000000 0.000000000000000 16.483875749999996 Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.07520871205457 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.25812462127877 15.999 > 2 3 O 0.33333333333333 0.66666666666667 0.40854204538790 15.999 > 1 4 O 0.66666666666667 0.33333333333333 0.59145795461210 15.999 > 2 5 O 0.00000000000000 0.00000000000000 0.74187537872123 15.999 > 1 6 O 0.33333333333333 0.66666666666667 0.92479128794543 15.999 > 2 *7 Na 0.33333333333333 0.66666666666667 0.16666666666667 22.990 > 3 8 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 3 9 Na 0.66666666666667 0.33333333333333 0.83333333333333 22.990 > 3 *10 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 > 4 11 Tl 0.66666666666667 0.33333333333333 0.33333333333333 204.383 > 4 12 Tl 0.33333333333333 0.66666666666667 0.66666666666667 204.383 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.102186475141076 0.000000000000000 0.000000000000000 b -5.051093237570538 8.748750121239746 0.000000000000000 c 0.000000000000000 0.000000000000000 16.483875749999996 Atomic positions (fractional): *1 O 0.22222222222222 0.11111111111111 0.07520871205457 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.07520871205457 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.07520871205457 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.07520871205457 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.07520871205457 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.07520871205457 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.07520871205457 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.07520871205457 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.07520871205457 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.25812462127877 15.999 > 2 11 O 0.33333333333333 0.00000000000000 0.25812462127877 15.999 > 2 12 O 0.66666666666667 0.00000000000000 0.25812462127877 15.999 > 2 13 O 0.00000000000000 0.33333333333333 0.25812462127877 15.999 > 2 14 O 0.33333333333333 0.33333333333333 0.25812462127877 15.999 > 2 15 O 0.66666666666667 0.33333333333333 0.25812462127877 15.999 > 2 16 O 0.00000000000000 0.66666666666667 0.25812462127877 15.999 > 2 17 O 0.33333333333333 0.66666666666667 0.25812462127877 15.999 > 2 18 O 0.66666666666667 0.66666666666667 0.25812462127877 15.999 > 2 19 O 0.11111111111111 0.22222222222222 0.40854204538790 15.999 > 1 20 O 0.44444444444444 0.22222222222222 0.40854204538790 15.999 > 1 21 O 0.77777777777778 0.22222222222222 0.40854204538790 15.999 > 1 22 O 0.11111111111111 0.55555555555556 0.40854204538790 15.999 > 1 23 O 0.44444444444444 0.55555555555556 0.40854204538790 15.999 > 1 24 O 0.77777777777778 0.55555555555556 0.40854204538790 15.999 > 1 25 O 0.11111111111111 0.88888888888889 0.40854204538790 15.999 > 1 26 O 0.44444444444444 0.88888888888889 0.40854204538790 15.999 > 1 27 O 0.77777777777778 0.88888888888889 0.40854204538790 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.59145795461210 15.999 > 2 29 O 0.55555555555556 0.11111111111111 0.59145795461210 15.999 > 2 30 O 0.88888888888889 0.11111111111111 0.59145795461210 15.999 > 2 31 O 0.22222222222222 0.44444444444444 0.59145795461210 15.999 > 2 32 O 0.55555555555556 0.44444444444444 0.59145795461210 15.999 > 2 33 O 0.88888888888889 0.44444444444444 0.59145795461210 15.999 > 2 34 O 0.22222222222222 0.77777777777778 0.59145795461210 15.999 > 2 35 O 0.55555555555556 0.77777777777778 0.59145795461210 15.999 > 2 36 O 0.88888888888889 0.77777777777778 0.59145795461210 15.999 > 2 37 O 0.00000000000000 0.00000000000000 0.74187537872123 15.999 > 1 38 O 0.33333333333333 0.00000000000000 0.74187537872123 15.999 > 1 39 O 0.66666666666667 0.00000000000000 0.74187537872123 15.999 > 1 40 O 0.00000000000000 0.33333333333333 0.74187537872123 15.999 > 1 41 O 0.33333333333333 0.33333333333333 0.74187537872123 15.999 > 1 42 O 0.66666666666667 0.33333333333333 0.74187537872123 15.999 > 1 43 O 0.00000000000000 0.66666666666667 0.74187537872123 15.999 > 1 44 O 0.33333333333333 0.66666666666667 0.74187537872123 15.999 > 1 45 O 0.66666666666667 0.66666666666667 0.74187537872123 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.92479128794543 15.999 > 2 47 O 0.44444444444444 0.22222222222222 0.92479128794543 15.999 > 2 48 O 0.77777777777778 0.22222222222222 0.92479128794543 15.999 > 2 49 O 0.11111111111111 0.55555555555556 0.92479128794543 15.999 > 2 50 O 0.44444444444444 0.55555555555556 0.92479128794543 15.999 > 2 51 O 0.77777777777778 0.55555555555556 0.92479128794543 15.999 > 2 52 O 0.11111111111111 0.88888888888889 0.92479128794543 15.999 > 2 53 O 0.44444444444444 0.88888888888889 0.92479128794543 15.999 > 2 54 O 0.77777777777778 0.88888888888889 0.92479128794543 15.999 > 2 *55 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 3 56 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 3 57 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 3 58 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 3 59 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 3 60 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 3 61 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 3 62 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 3 63 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 3 64 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 3 65 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 3 66 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 3 67 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 3 68 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 3 69 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 3 70 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 3 71 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 3 72 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 3 73 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 3 74 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 3 75 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 3 76 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 3 77 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 3 78 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 3 79 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 3 80 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 3 81 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 3 *82 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 > 4 83 Tl 0.33333333333333 0.00000000000000 0.00000000000000 204.383 > 4 84 Tl 0.66666666666667 0.00000000000000 0.00000000000000 204.383 > 4 85 Tl 0.00000000000000 0.33333333333333 0.00000000000000 204.383 > 4 86 Tl 0.33333333333333 0.33333333333333 0.00000000000000 204.383 > 4 87 Tl 0.66666666666667 0.33333333333333 0.00000000000000 204.383 > 4 88 Tl 0.00000000000000 0.66666666666667 0.00000000000000 204.383 > 4 89 Tl 0.33333333333333 0.66666666666667 0.00000000000000 204.383 > 4 90 Tl 0.66666666666667 0.66666666666667 0.00000000000000 204.383 > 4 91 Tl 0.22222222222222 0.11111111111111 0.33333333333333 204.383 > 4 92 Tl 0.55555555555556 0.11111111111111 0.33333333333333 204.383 > 4 93 Tl 0.88888888888889 0.11111111111111 0.33333333333333 204.383 > 4 94 Tl 0.22222222222222 0.44444444444444 0.33333333333333 204.383 > 4 95 Tl 0.55555555555556 0.44444444444444 0.33333333333333 204.383 > 4 96 Tl 0.88888888888889 0.44444444444444 0.33333333333333 204.383 > 4 97 Tl 0.22222222222222 0.77777777777778 0.33333333333333 204.383 > 4 98 Tl 0.55555555555556 0.77777777777778 0.33333333333333 204.383 > 4 99 Tl 0.88888888888889 0.77777777777778 0.33333333333333 204.383 > 4 100 Tl 0.11111111111111 0.22222222222222 0.66666666666667 204.383 > 4 101 Tl 0.44444444444444 0.22222222222222 0.66666666666667 204.383 > 4 102 Tl 0.77777777777778 0.22222222222222 0.66666666666667 204.383 > 4 103 Tl 0.11111111111111 0.55555555555556 0.66666666666667 204.383 > 4 104 Tl 0.44444444444444 0.55555555555556 0.66666666666667 204.383 > 4 105 Tl 0.77777777777778 0.55555555555556 0.66666666666667 204.383 > 4 106 Tl 0.11111111111111 0.88888888888889 0.66666666666667 204.383 > 4 107 Tl 0.44444444444444 0.88888888888889 0.66666666666667 204.383 > 4 108 Tl 0.77777777777778 0.88888888888889 0.66666666666667 204.383 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9491953 0.0000000 0.0000000 0.0000000 5.9491953 0.0000000 0.0000000 0.0000000 4.0449467 -------------------------- Born effective charges -------------------------- 1 O -2.3706178 -0.0000000 0.0000000 0.0000000 -2.3706178 0.0000000 0.0000000 0.0000000 -1.5410421 2 O -2.3706178 -0.0000000 0.0000000 0.0000000 -2.3706178 0.0000000 0.0000000 0.0000000 -1.5410421 3 Na 1.0241958 0.0000000 0.0000000 0.0000000 1.0241958 0.0000000 0.0000000 0.0000000 1.5182078 4 Tl 3.7170397 0.0000000 0.0000000 0.0000000 3.7170397 0.0000000 0.0000000 0.0000000 1.5638765 ---------------------------------------------------------------------------- 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: 178 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: 0.140 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.146 --------------------------------- 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: 178 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 2026-01-07 19:21:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:21:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.683697745856848 0.972083346804415 5.494625249999992 b -1.683697745856844 0.972083346804415 5.494625249999992 c 0.000000000000002 -1.944166693608833 5.494625249999992 Atomic positions (fractional): 1 O 0.74187537872123 0.74187537872123 0.74187537872123 15.999 2 O 0.25812462127877 0.25812462127877 0.25812462127877 15.999 3 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 4 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.102186475141076 0.000000000000000 0.000000000000000 b -5.051093237570538 8.748750121239746 0.000000000000000 c 0.000000000000000 0.000000000000000 16.483875749999996 Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.07520871205457 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.07520871205457 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.07520871205457 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.07520871205457 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.07520871205457 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.07520871205457 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.07520871205457 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.07520871205457 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.07520871205457 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.25812462127877 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.25812462127877 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.25812462127877 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.25812462127877 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.25812462127877 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.25812462127877 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.25812462127877 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.25812462127877 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.25812462127877 15.999 > 10 19 O 0.11111111111111 0.22222222222222 0.40854204538790 15.999 > 1 20 O 0.44444444444444 0.22222222222222 0.40854204538790 15.999 > 1 21 O 0.77777777777778 0.22222222222222 0.40854204538790 15.999 > 1 22 O 0.11111111111111 0.55555555555556 0.40854204538790 15.999 > 1 23 O 0.44444444444444 0.55555555555556 0.40854204538790 15.999 > 1 24 O 0.77777777777778 0.55555555555556 0.40854204538790 15.999 > 1 25 O 0.11111111111111 0.88888888888889 0.40854204538790 15.999 > 1 26 O 0.44444444444444 0.88888888888889 0.40854204538790 15.999 > 1 27 O 0.77777777777778 0.88888888888889 0.40854204538790 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.59145795461210 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.59145795461210 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.59145795461210 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.59145795461210 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.59145795461210 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.59145795461210 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.59145795461210 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.59145795461210 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.59145795461210 15.999 > 10 37 O 0.00000000000000 0.00000000000000 0.74187537872123 15.999 > 1 38 O 0.33333333333333 0.00000000000000 0.74187537872123 15.999 > 1 39 O 0.66666666666667 0.00000000000000 0.74187537872123 15.999 > 1 40 O 0.00000000000000 0.33333333333333 0.74187537872123 15.999 > 1 41 O 0.33333333333333 0.33333333333333 0.74187537872123 15.999 > 1 42 O 0.66666666666667 0.33333333333333 0.74187537872123 15.999 > 1 43 O 0.00000000000000 0.66666666666667 0.74187537872123 15.999 > 1 44 O 0.33333333333333 0.66666666666667 0.74187537872123 15.999 > 1 45 O 0.66666666666667 0.66666666666667 0.74187537872123 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.92479128794543 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.92479128794543 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.92479128794543 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.92479128794543 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.92479128794543 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.92479128794543 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.92479128794543 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.92479128794543 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.92479128794543 15.999 > 10 55 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 55 56 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 55 57 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 55 58 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 55 59 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 55 60 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 55 61 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 55 62 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 55 63 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 55 64 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 55 65 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 55 66 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 55 67 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 55 68 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 55 69 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 55 70 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 55 71 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 55 72 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 55 73 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 55 74 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 55 75 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 55 76 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 55 77 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 55 78 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 55 79 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 55 80 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 55 81 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 55 82 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 > 82 83 Tl 0.33333333333333 0.00000000000000 0.00000000000000 204.383 > 82 84 Tl 0.66666666666667 0.00000000000000 0.00000000000000 204.383 > 82 85 Tl 0.00000000000000 0.33333333333333 0.00000000000000 204.383 > 82 86 Tl 0.33333333333333 0.33333333333333 0.00000000000000 204.383 > 82 87 Tl 0.66666666666667 0.33333333333333 0.00000000000000 204.383 > 82 88 Tl 0.00000000000000 0.66666666666667 0.00000000000000 204.383 > 82 89 Tl 0.33333333333333 0.66666666666667 0.00000000000000 204.383 > 82 90 Tl 0.66666666666667 0.66666666666667 0.00000000000000 204.383 > 82 91 Tl 0.22222222222222 0.11111111111111 0.33333333333333 204.383 > 82 92 Tl 0.55555555555556 0.11111111111111 0.33333333333333 204.383 > 82 93 Tl 0.88888888888889 0.11111111111111 0.33333333333333 204.383 > 82 94 Tl 0.22222222222222 0.44444444444444 0.33333333333333 204.383 > 82 95 Tl 0.55555555555556 0.44444444444444 0.33333333333333 204.383 > 82 96 Tl 0.88888888888889 0.44444444444444 0.33333333333333 204.383 > 82 97 Tl 0.22222222222222 0.77777777777778 0.33333333333333 204.383 > 82 98 Tl 0.55555555555556 0.77777777777778 0.33333333333333 204.383 > 82 99 Tl 0.88888888888889 0.77777777777778 0.33333333333333 204.383 > 82 100 Tl 0.11111111111111 0.22222222222222 0.66666666666667 204.383 > 82 101 Tl 0.44444444444444 0.22222222222222 0.66666666666667 204.383 > 82 102 Tl 0.77777777777778 0.22222222222222 0.66666666666667 204.383 > 82 103 Tl 0.11111111111111 0.55555555555556 0.66666666666667 204.383 > 82 104 Tl 0.44444444444444 0.55555555555556 0.66666666666667 204.383 > 82 105 Tl 0.77777777777778 0.55555555555556 0.66666666666667 204.383 > 82 106 Tl 0.11111111111111 0.88888888888889 0.66666666666667 204.383 > 82 107 Tl 0.44444444444444 0.88888888888889 0.66666666666667 204.383 > 82 108 Tl 0.77777777777778 0.88888888888889 0.66666666666667 204.383 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9491953 0.0000000 0.0000000 0.0000000 5.9491953 0.0000000 0.0000000 0.0000000 4.0449467 -------------------------- Born effective charges -------------------------- 1 O -2.3706178 -0.0000000 0.0000000 0.0000000 -2.3706178 0.0000000 0.0000000 0.0000000 -1.5410421 2 O -2.3706178 -0.0000000 0.0000000 0.0000000 -2.3706178 0.0000000 0.0000000 0.0000000 -1.5410421 3 Na 1.0241958 0.0000000 0.0000000 0.0000000 1.0241958 0.0000000 0.0000000 0.0000000 1.5182078 4 Tl 3.7170397 0.0000000 0.0000000 0.0000000 3.7170397 0.0000000 0.0000000 0.0000000 1.5638765 ---------------------------------------------------------------------------- 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 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:21:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:21:13]------------------------- 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 1.683697745856848 0.972083346804415 5.494625249999992 b -1.683697745856844 0.972083346804415 5.494625249999992 c 0.000000000000002 -1.944166693608833 5.494625249999992 Atomic positions (fractional): 1 O 0.74187537872123 0.74187537872123 0.74187537872123 15.999 2 O 0.25812462127877 0.25812462127877 0.25812462127877 15.999 3 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 4 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.102186475141076 0.000000000000000 0.000000000000000 b -5.051093237570538 8.748750121239746 0.000000000000000 c 0.000000000000000 0.000000000000000 16.483875749999996 Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.07520871205457 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.07520871205457 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.07520871205457 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.07520871205457 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.07520871205457 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.07520871205457 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.07520871205457 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.07520871205457 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.07520871205457 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.25812462127877 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.25812462127877 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.25812462127877 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.25812462127877 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.25812462127877 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.25812462127877 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.25812462127877 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.25812462127877 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.25812462127877 15.999 > 10 19 O 0.11111111111111 0.22222222222222 0.40854204538790 15.999 > 1 20 O 0.44444444444444 0.22222222222222 0.40854204538790 15.999 > 1 21 O 0.77777777777778 0.22222222222222 0.40854204538790 15.999 > 1 22 O 0.11111111111111 0.55555555555556 0.40854204538790 15.999 > 1 23 O 0.44444444444444 0.55555555555556 0.40854204538790 15.999 > 1 24 O 0.77777777777778 0.55555555555556 0.40854204538790 15.999 > 1 25 O 0.11111111111111 0.88888888888889 0.40854204538790 15.999 > 1 26 O 0.44444444444444 0.88888888888889 0.40854204538790 15.999 > 1 27 O 0.77777777777778 0.88888888888889 0.40854204538790 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.59145795461210 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.59145795461210 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.59145795461210 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.59145795461210 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.59145795461210 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.59145795461210 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.59145795461210 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.59145795461210 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.59145795461210 15.999 > 10 37 O 0.00000000000000 0.00000000000000 0.74187537872123 15.999 > 1 38 O 0.33333333333333 0.00000000000000 0.74187537872123 15.999 > 1 39 O 0.66666666666667 0.00000000000000 0.74187537872123 15.999 > 1 40 O 0.00000000000000 0.33333333333333 0.74187537872123 15.999 > 1 41 O 0.33333333333333 0.33333333333333 0.74187537872123 15.999 > 1 42 O 0.66666666666667 0.33333333333333 0.74187537872123 15.999 > 1 43 O 0.00000000000000 0.66666666666667 0.74187537872123 15.999 > 1 44 O 0.33333333333333 0.66666666666667 0.74187537872123 15.999 > 1 45 O 0.66666666666667 0.66666666666667 0.74187537872123 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.92479128794543 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.92479128794543 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.92479128794543 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.92479128794543 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.92479128794543 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.92479128794543 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.92479128794543 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.92479128794543 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.92479128794543 15.999 > 10 55 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 55 56 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 55 57 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 55 58 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 55 59 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 55 60 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 55 61 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 55 62 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 55 63 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 55 64 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 55 65 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 55 66 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 55 67 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 55 68 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 55 69 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 55 70 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 55 71 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 55 72 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 55 73 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 55 74 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 55 75 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 55 76 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 55 77 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 55 78 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 55 79 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 55 80 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 55 81 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 55 82 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 > 82 83 Tl 0.33333333333333 0.00000000000000 0.00000000000000 204.383 > 82 84 Tl 0.66666666666667 0.00000000000000 0.00000000000000 204.383 > 82 85 Tl 0.00000000000000 0.33333333333333 0.00000000000000 204.383 > 82 86 Tl 0.33333333333333 0.33333333333333 0.00000000000000 204.383 > 82 87 Tl 0.66666666666667 0.33333333333333 0.00000000000000 204.383 > 82 88 Tl 0.00000000000000 0.66666666666667 0.00000000000000 204.383 > 82 89 Tl 0.33333333333333 0.66666666666667 0.00000000000000 204.383 > 82 90 Tl 0.66666666666667 0.66666666666667 0.00000000000000 204.383 > 82 91 Tl 0.22222222222222 0.11111111111111 0.33333333333333 204.383 > 82 92 Tl 0.55555555555556 0.11111111111111 0.33333333333333 204.383 > 82 93 Tl 0.88888888888889 0.11111111111111 0.33333333333333 204.383 > 82 94 Tl 0.22222222222222 0.44444444444444 0.33333333333333 204.383 > 82 95 Tl 0.55555555555556 0.44444444444444 0.33333333333333 204.383 > 82 96 Tl 0.88888888888889 0.44444444444444 0.33333333333333 204.383 > 82 97 Tl 0.22222222222222 0.77777777777778 0.33333333333333 204.383 > 82 98 Tl 0.55555555555556 0.77777777777778 0.33333333333333 204.383 > 82 99 Tl 0.88888888888889 0.77777777777778 0.33333333333333 204.383 > 82 100 Tl 0.11111111111111 0.22222222222222 0.66666666666667 204.383 > 82 101 Tl 0.44444444444444 0.22222222222222 0.66666666666667 204.383 > 82 102 Tl 0.77777777777778 0.22222222222222 0.66666666666667 204.383 > 82 103 Tl 0.11111111111111 0.55555555555556 0.66666666666667 204.383 > 82 104 Tl 0.44444444444444 0.55555555555556 0.66666666666667 204.383 > 82 105 Tl 0.77777777777778 0.55555555555556 0.66666666666667 204.383 > 82 106 Tl 0.11111111111111 0.88888888888889 0.66666666666667 204.383 > 82 107 Tl 0.44444444444444 0.88888888888889 0.66666666666667 204.383 > 82 108 Tl 0.77777777777778 0.88888888888889 0.66666666666667 204.383 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.9491953 0.0000000 0.0000000 0.0000000 5.9491953 0.0000000 0.0000000 0.0000000 4.0449467 -------------------------- Born effective charges -------------------------- 1 O -2.3706178 -0.0000000 0.0000000 0.0000000 -2.3706178 0.0000000 0.0000000 0.0000000 -1.5410421 2 O -2.3706178 -0.0000000 0.0000000 0.0000000 -2.3706178 0.0000000 0.0000000 0.0000000 -1.5410421 3 Na 1.0241958 0.0000000 0.0000000 0.0000000 1.0241958 0.0000000 0.0000000 0.0000000 1.5182078 4 Tl 3.7170397 0.0000000 0.0000000 0.0000000 3.7170397 0.0000000 0.0000000 0.0000000 1.5638765 ---------------------------------------------------------------------------- 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 ... [ 17 17 17 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.10, Number of G-points: 325, Lambda: 0.26 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/489) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 6.650 ( 0.000 0.000 0.000) 0.000 6.681 ( 0.000 0.000 0.000) 0.000 6.681 ( 0.000 0.000 0.000) 0.000 7.902 ( 0.000 0.000 0.000) 0.000 7.902 ( 0.000 0.000 0.000) 0.000 9.996 ( 0.000 0.000 0.000) 0.000 12.645 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/489) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.325 ( 13.635 7.872 10.951) 19.178 0.467 ( 19.074 11.012 5.814) 22.779 0.951 ( 39.946 23.063 1.471) 46.149 3.997 ( 0.973 0.562 1.615) 1.967 4.057 ( 6.781 3.915 -2.833) 8.327 6.631 ( -2.584 -1.492 3.459) 4.568 6.683 ( 0.551 0.318 -2.222) 2.311 6.957 ( 21.450 12.384 6.122) 25.514 7.962 ( 4.984 2.878 0.691) 5.797 9.943 ( -0.487 -0.281 -11.227) 11.242 12.600 ( -3.902 -2.253 0.343) 4.519 13.200 ( 0.101 0.058 -8.268) 8.269 ======================= Grid point 2 (3/489) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 16.959 9.791 8.450) 21.328 0.927 ( 18.648 10.767 5.194) 22.151 1.856 ( 37.148 21.448 0.587) 42.899 4.039 ( 1.939 1.119 2.739) 3.538 4.281 ( 13.263 7.657 -3.766) 15.771 6.563 ( -4.060 -2.344 2.297) 5.220 6.694 ( 1.340 0.773 -3.644) 3.959 7.641 ( 33.061 19.088 7.453) 38.896 8.135 ( 9.440 5.450 1.038) 10.949 9.882 ( -2.500 -1.443 0.223) 2.895 12.470 ( -7.293 -4.211 0.381) 8.430 13.163 ( -0.484 -0.280 -9.806) 9.822 ======================= Grid point 3 (4/489) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 18.010 10.398 6.127) 21.679 1.368 ( 17.652 10.191 4.249) 20.821 2.670 ( 32.517 18.774 -0.800) 37.556 4.105 ( 2.770 1.599 3.128) 4.474 4.633 ( 17.606 10.165 -3.182) 20.577 6.463 ( -5.166 -2.982 2.272) 6.383 6.723 ( 2.361 1.363 -4.027) 4.863 8.401 ( 12.886 7.440 1.052) 14.917 8.441 ( 31.121 17.967 4.169) 36.176 9.875 ( 2.062 1.191 9.812) 10.097 12.268 ( -9.984 -5.764 -0.139) 11.529 13.112 ( -0.450 -0.260 -11.384) 11.396 ======================= Grid point 4 (5/489) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 16.792 9.695 4.072) 19.813 1.773 ( 15.845 9.148 3.107) 18.558 3.354 ( 26.539 15.323 -2.362) 30.736 4.187 ( 3.256 1.880 2.851) 4.719 5.056 ( 19.020 10.981 -2.049) 22.057 6.343 ( -5.782 -3.338 2.425) 7.103 6.776 ( 3.362 1.941 -3.589) 5.287 8.731 ( 14.845 8.571 0.918) 17.166 8.987 ( 13.954 8.056 -0.049) 16.112 10.150 ( 18.135 10.470 17.812) 27.492 12.007 ( -12.129 -7.003 -1.500) 14.086 13.066 ( 0.081 0.046 -11.470) 11.470 ======================= Grid point 5 (6/489) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 13.832 7.986 2.150) 16.116 2.122 ( 13.161 7.599 1.950) 15.322 3.888 ( 20.209 11.668 -3.528) 23.600 4.272 ( 3.247 1.875 2.183) 4.339 5.481 ( 17.475 10.089 -1.120) 20.209 6.214 ( -5.911 -3.412 2.484) 7.263 6.851 ( 3.962 2.288 -2.709) 5.317 9.084 ( 14.872 8.586 0.757) 17.189 9.187 ( 5.552 3.206 4.081) 7.600 10.740 ( 24.203 13.974 16.252) 32.329 11.694 ( -13.803 -7.969 -4.344) 16.520 13.039 ( 0.888 0.513 -9.734) 9.788 ======================= Grid point 6 (7/489) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 9.688 5.594 0.510) 11.199 2.395 ( 9.762 5.636 0.993) 11.316 4.276 ( 14.390 8.308 -3.796) 17.045 4.349 ( 2.730 1.576 1.419) 3.457 5.841 ( 13.245 7.647 -0.335) 15.298 6.090 ( -5.172 -2.986 2.060) 6.317 6.935 ( 3.822 2.207 -1.740) 4.744 9.356 ( 7.740 4.469 8.679) 12.458 9.412 ( 12.735 7.352 0.585) 14.716 11.248 ( -0.721 -0.416 16.423) 16.444 11.395 ( 4.935 2.849 -11.899) 13.193 13.038 ( 1.515 0.875 -6.679) 6.904 ======================= Grid point 7 (8/489) ======================= q-point: ( 0.41 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 5.319 3.071 -0.390) 6.154 2.581 ( 5.950 3.435 0.378) 6.881 4.407 ( 1.806 1.043 0.751) 2.217 4.536 ( 9.064 5.233 -2.962) 10.877 5.967 ( -3.748 -2.164 2.728) 5.115 6.112 ( 7.859 4.537 -1.255) 9.161 7.009 ( 2.791 1.612 -0.912) 3.350 9.622 ( 12.100 6.986 10.871) 17.702 9.666 ( 8.593 4.961 0.380) 9.929 10.898 ( -17.480 -10.092 -4.897) 20.769 11.746 ( 13.016 7.515 2.516) 15.239 13.056 ( 1.462 0.844 -3.448) 3.839 ======================= Grid point 8 (9/489) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 1.616 0.933 -0.292) 1.888 2.674 ( 1.991 1.150 0.083) 2.301 4.437 ( 0.630 0.364 0.229) 0.763 4.674 ( 3.240 1.871 -1.139) 3.911 5.903 ( -1.744 -1.007 0.992) 2.245 6.238 ( 2.831 1.635 -0.388) 3.292 7.053 ( 1.026 0.592 -0.276) 1.216 9.804 ( 3.034 1.752 0.133) 3.506 9.977 ( 13.900 8.025 9.659) 18.733 10.475 ( -15.677 -9.051 -7.610) 19.637 11.957 ( 4.436 2.561 0.834) 5.190 13.074 ( 0.606 0.350 -0.976) 1.201 ======================= Grid point 18 (10/489) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( -0.000 13.248 13.580) 18.971 0.457 ( -0.000 21.171 3.985) 21.543 0.994 ( -0.000 45.186 9.098) 46.092 3.969 ( 0.000 0.100 -3.540) 3.541 4.077 ( -0.000 8.770 0.908) 8.817 6.648 ( -0.000 -5.062 6.643) 8.352 6.709 ( -0.000 1.541 2.494) 2.932 6.905 ( 0.000 22.474 -3.547) 22.752 7.955 ( 0.000 5.585 -0.550) 5.612 9.858 ( 0.000 5.024 -25.030) 25.529 12.602 ( -0.000 -4.522 0.702) 4.576 13.210 ( 0.000 3.591 -5.983) 6.978 ======================= Grid point 19 (11/489) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 9.844 12.733 11.921) 20.029 0.833 ( 13.350 18.588 4.394) 23.303 1.647 ( 19.452 37.918 5.438) 42.962 4.005 ( 4.382 0.896 -2.603) 5.175 4.213 ( 3.696 12.249 -0.220) 12.796 6.589 ( -2.120 -4.140 2.338) 5.206 6.873 ( -1.426 13.164 -0.824) 13.266 7.185 ( 19.839 11.782 2.045) 23.165 8.128 ( 8.561 13.138 0.623) 15.694 9.845 ( 2.605 -1.836 -9.658) 10.170 12.515 ( -3.778 -6.471 0.810) 7.537 13.183 ( -3.768 3.039 -6.119) 7.803 ======================= Grid point 20 (12/489) ======================= q-point: ( 0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 14.885 11.846 8.499) 20.836 1.273 ( 13.555 18.171 4.221) 23.060 2.394 ( 24.653 28.890 1.830) 38.023 4.097 ( 3.753 3.292 0.149) 4.995 4.468 ( 11.285 13.091 -1.632) 17.361 6.504 ( -3.308 -4.742 2.182) 6.180 6.915 ( -10.505 21.677 -4.375) 24.482 7.762 ( 36.217 -4.350 3.483) 36.643 8.497 ( 11.254 22.638 1.919) 25.353 9.863 ( 4.010 -0.362 1.826) 4.421 12.349 ( -7.063 -7.892 0.521) 10.604 13.114 ( -3.753 2.142 -8.819) 9.820 ======================= Grid point 21 (13/489) ======================= q-point: ( 0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 16.082 10.476 5.450) 19.952 1.693 ( 11.920 17.798 3.347) 21.680 3.075 ( 24.004 20.912 -1.112) 31.855 4.197 ( 2.180 5.594 1.522) 6.194 4.843 ( 16.681 12.469 -1.286) 20.866 6.396 ( -4.239 -5.043 2.451) 7.029 6.942 ( -9.460 21.812 -4.717) 24.239 8.320 ( 32.096 -5.100 1.258) 32.523 8.897 ( 9.634 14.003 0.722) 17.012 10.069 ( 12.561 10.753 11.610) 20.204 12.117 ( -9.879 -8.809 -0.237) 13.238 13.041 ( -2.246 0.996 -10.454) 10.739 ======================= Grid point 22 (14/489) ======================= q-point: ( 0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 14.824 8.365 2.840) 17.257 2.064 ( 9.391 16.633 2.240) 19.232 3.636 ( 20.842 13.944 -3.401) 25.306 4.296 ( 1.066 7.153 1.812) 7.456 5.266 ( 17.910 10.885 -0.396) 20.962 6.275 ( -4.795 -4.958 2.706) 7.410 6.993 ( -7.595 20.960 -4.217) 22.689 8.798 ( 24.826 0.191 1.007) 24.847 9.111 ( 6.886 3.083 1.963) 7.795 10.568 ( 20.289 17.331 13.227) 29.782 11.827 ( -12.515 -9.345 -1.447) 15.686 12.988 ( 0.031 -0.159 -10.056) 10.057 ======================= Grid point 23 (15/489) ======================= q-point: ( 0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 11.871 5.665 0.631) 13.169 2.366 ( 6.306 14.614 1.235) 15.965 4.061 ( 16.812 8.037 -4.715) 19.222 4.390 ( 0.012 8.329 1.619) 8.485 5.661 ( 15.789 8.200 0.244) 17.793 6.151 ( -4.930 -4.500 2.806) 7.240 7.065 ( -6.353 19.944 -3.371) 21.201 9.152 ( 14.080 -2.116 5.224) 15.166 9.327 ( 13.205 7.972 1.441) 15.492 11.131 ( 20.146 13.648 7.891) 25.581 11.483 ( -15.251 -9.252 -1.771) 17.926 12.970 ( 2.336 -1.240 -7.704) 8.145 ======================= Grid point 24 (16/489) ======================= q-point: ( 0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 8.061 2.782 -0.863) 8.571 2.585 ( 2.966 12.078 0.567) 12.450 4.349 ( 11.169 3.109 -4.202) 12.332 4.480 ( 0.329 9.182 0.540) 9.204 5.965 ( 9.853 3.871 1.970) 10.767 6.041 ( -2.777 -2.698 1.330) 4.094 7.143 ( -6.248 18.948 -2.555) 20.115 9.366 ( 13.247 -4.416 7.549) 15.873 9.670 ( 11.665 12.814 1.301) 17.377 11.085 ( -16.662 -8.957 -7.997) 20.538 11.585 ( 14.918 7.785 7.465) 18.409 12.986 ( 3.752 -2.265 -4.449) 6.245 ======================= Grid point 25 (17/489) ======================= q-point: ( 0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 4.440 0.288 -1.267) 4.626 2.717 ( -0.510 9.484 0.274) 9.501 4.472 ( 1.027 3.946 -0.645) 4.128 4.600 ( 4.632 4.352 -2.555) 6.850 5.938 ( -3.238 -2.430 2.683) 4.857 6.170 ( 6.543 1.476 0.384) 6.719 7.203 ( -7.363 17.916 -1.969) 19.469 9.568 ( 12.782 -7.566 5.044) 15.686 9.995 ( 9.265 14.762 3.170) 17.715 10.667 ( -18.384 -6.425 -8.650) 21.309 11.861 ( 9.031 1.417 3.162) 9.673 13.015 ( 3.780 -3.261 -1.644) 5.256 ======================= Grid point 26 (18/489) ======================= q-point: (-0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 1.307 -1.659 -0.819) 2.266 2.761 ( -4.187 7.156 0.195) 8.293 4.497 ( -2.529 4.419 0.107) 5.092 4.667 ( 1.161 -0.472 -1.919) 2.292 5.895 ( -0.489 -0.519 1.084) 1.298 6.238 ( 1.065 -1.881 1.146) 2.446 7.228 ( -9.213 16.738 -1.523) 19.167 9.641 ( 5.671 -13.039 -0.951) 14.251 10.272 ( -19.123 2.457 -7.072) 20.537 10.342 ( 13.069 10.602 4.262) 17.360 11.948 ( 1.592 -4.024 0.872) 4.414 13.034 ( 2.860 -4.105 0.322) 5.014 ======================= Grid point 27 (19/489) ======================= q-point: (-0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -2.165 -3.525 -0.417) 4.158 2.716 ( -8.141 5.184 0.078) 9.652 4.476 ( -4.194 2.680 0.236) 4.983 4.614 ( -4.689 -2.867 -0.306) 5.505 5.919 ( 2.631 1.105 -0.653) 2.927 6.178 ( -4.506 -4.991 1.694) 6.934 7.209 ( -11.057 15.650 -0.975) 19.187 9.503 ( -1.458 -16.151 -7.186) 17.737 9.959 ( -17.184 2.354 -3.156) 17.629 10.729 ( 15.390 11.593 2.710) 19.458 11.840 ( -6.940 -8.124 -0.490) 10.696 13.036 ( 1.955 -4.434 2.281) 5.356 ======================= Grid point 28 (20/489) ======================= q-point: (-0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -6.616 -5.648 -0.773) 8.733 2.581 ( -12.308 3.469 -0.298) 12.791 4.381 ( -7.218 -6.017 1.792) 9.566 4.474 ( -8.634 2.461 -0.757) 9.010 5.953 ( -5.197 -4.415 -0.144) 6.821 6.036 ( -0.035 -1.506 0.251) 1.527 7.156 ( -12.409 15.253 -0.110) 19.663 9.279 ( -2.480 -13.485 -8.740) 16.260 9.659 ( -17.272 -2.014 -0.680) 17.402 11.103 ( 13.808 9.491 -5.132) 17.523 11.553 ( -13.909 -10.248 2.084) 17.402 13.036 ( 1.569 -3.911 4.812) 6.396 ======================= Grid point 29 (21/489) ======================= q-point: (-0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -11.447 -7.653 -1.798) 13.886 2.354 ( -16.378 1.856 -0.983) 16.512 4.101 ( -15.247 -10.421 2.809) 18.681 4.371 ( -7.463 4.083 -1.812) 8.698 5.668 ( -14.961 -9.784 1.553) 17.944 6.126 ( 6.062 1.929 -1.857) 6.627 7.089 ( -13.241 15.971 1.081) 20.774 9.093 ( -2.245 -12.362 -5.707) 13.800 9.316 ( -15.328 -6.655 -0.599) 16.721 10.991 ( -21.840 -7.278 -16.370) 28.248 11.543 ( 12.791 4.622 7.656) 15.607 13.051 ( 1.555 -2.607 7.322) 7.926 ======================= Grid point 30 (22/489) ======================= q-point: (-0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -15.582 -8.880 -2.950) 18.176 2.043 ( -19.844 0.322 -1.777) 19.926 3.667 ( -22.912 -11.423 2.447) 25.719 4.273 ( -6.992 3.048 -2.414) 8.001 5.278 ( -18.072 -10.470 1.840) 20.967 6.250 ( 6.581 1.775 -1.940) 7.087 7.029 ( -13.688 17.609 2.342) 22.426 8.788 ( -12.070 -21.234 -0.842) 24.439 9.091 ( -5.010 -4.085 -1.700) 6.684 10.414 ( -27.003 -5.886 -15.183) 31.533 11.848 ( 13.562 4.856 2.437) 14.610 13.089 ( 1.545 -1.014 8.721) 8.915 ======================= Grid point 31 (23/489) ======================= q-point: (-0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -18.418 -8.808 -3.742) 20.756 1.662 ( -22.270 -0.944 -2.316) 22.410 3.089 ( -30.875 -11.147 1.528) 32.861 4.174 ( -6.131 2.075 -2.661) 6.998 4.862 ( -18.509 -9.023 2.226) 20.712 6.374 ( 6.403 1.405 -1.601) 6.749 6.986 ( -13.848 19.579 3.371) 24.217 8.303 ( -12.377 -30.921 -1.913) 33.361 8.889 ( -17.471 -1.579 -0.713) 17.557 9.944 ( -14.094 -0.505 -11.396) 18.132 12.122 ( 12.162 3.580 0.605) 12.693 13.142 ( 1.297 0.276 8.235) 8.341 ======================= Grid point 32 (24/489) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -19.655 -6.632 -3.539) 21.044 1.239 ( -23.547 -1.488 -2.093) 23.687 2.386 ( -38.276 -8.307 0.568) 39.171 4.085 ( -4.708 0.905 -2.002) 5.195 4.488 ( -16.383 -5.161 2.005) 17.294 6.487 ( 5.587 0.856 -0.943) 5.730 6.959 ( -13.796 19.869 3.745) 24.477 7.718 ( -15.798 -32.611 -4.584) 36.525 8.481 ( -25.410 2.240 -1.160) 25.535 9.834 ( 1.450 0.784 -3.555) 3.919 12.347 ( 10.147 1.967 -0.025) 10.336 13.192 ( 0.835 0.767 5.500) 5.615 ======================= Grid point 33 (25/489) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -18.632 0.000 0.000) 18.632 0.809 ( -23.697 0.000 0.000) 23.697 1.617 ( -43.828 0.000 0.000) 43.828 4.019 ( -2.728 0.000 0.000) 2.728 4.214 ( -12.313 0.000 0.000) 12.313 6.575 ( 4.110 -0.000 -0.000) 4.110 6.878 ( -11.319 0.000 0.000) 11.319 7.173 ( -20.653 0.000 0.000) 20.653 8.125 ( -15.435 0.000 0.000) 15.435 9.898 ( 4.639 -0.000 -0.000) 4.639 12.511 ( 7.396 -0.000 -0.000) 7.396 13.219 ( 0.344 -0.000 -0.000) 0.344 ======================= Grid point 36 (26/489) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -0.000 16.805 10.409) 19.767 0.909 ( -0.000 20.908 3.798) 21.250 1.934 ( -0.000 41.797 7.047) 42.387 3.949 ( 0.000 1.424 -5.313) 5.501 4.339 ( -0.000 15.974 1.441) 16.039 6.570 ( -0.000 -5.984 2.998) 6.693 6.760 ( -0.000 1.370 2.189) 2.582 7.489 ( 0.000 37.174 -6.103) 37.672 8.126 ( 0.000 11.473 0.256) 11.476 9.750 ( 0.000 -2.799 -10.710) 11.070 12.476 ( -0.000 -8.409 1.017) 8.470 13.247 ( 0.000 2.768 -2.236) 3.558 ======================= Grid point 37 (27/489) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 5.728 16.477 8.932) 19.598 1.249 ( 11.613 19.642 3.195) 23.041 2.445 ( 9.339 36.348 4.211) 37.764 4.013 ( 6.502 2.722 -4.362) 8.289 4.528 ( 1.584 18.171 1.480) 18.299 6.500 ( -1.640 -6.052 2.067) 6.603 7.011 ( 22.988 1.334 0.888) 23.044 7.614 ( -16.833 29.762 -4.691) 34.513 8.478 ( 15.990 20.065 0.958) 25.675 9.737 ( 6.281 -3.129 -4.966) 8.596 12.356 ( -3.548 -9.695 0.976) 10.370 13.212 ( -5.466 2.806 -3.415) 7.030 ======================= Grid point 38 (28/489) ======================= q-point: ( 0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 10.349 14.117 6.341) 18.617 1.679 ( 13.129 19.281 2.571) 23.468 2.983 ( 13.654 27.530 0.459) 30.733 4.170 ( 7.563 4.873 -2.141) 9.248 4.786 ( 6.552 18.146 1.533) 19.354 6.408 ( -2.668 -6.222 2.203) 7.119 7.405 ( -2.242 25.287 -4.701) 25.818 7.705 ( 19.238 1.750 -0.340) 19.320 8.888 ( 8.113 13.225 1.227) 15.564 9.936 ( 16.216 6.985 2.384) 17.816 12.169 ( -6.727 -10.175 0.904) 12.232 13.110 ( -6.695 2.309 -5.893) 9.213 ======================= Grid point 39 (29/489) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 11.999 10.924 3.412) 16.582 2.093 ( 10.512 19.416 1.878) 22.159 3.462 ( 15.039 18.189 -2.769) 23.763 4.340 ( 4.683 7.948 -0.182) 9.227 5.127 ( 11.749 15.503 1.601) 19.518 6.301 ( -3.404 -6.036 2.574) 7.393 7.464 ( -16.144 31.794 -5.266) 36.045 8.233 ( 35.933 -3.639 -0.481) 36.120 9.055 ( 3.729 2.717 2.354) 5.179 10.416 ( 21.229 15.294 5.497) 26.736 11.927 ( -9.754 -9.687 1.259) 13.805 12.998 ( -4.899 0.812 -7.352) 8.872 ======================= Grid point 40 (30/489) ======================= q-point: ( 0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 11.226 7.336 0.767) 13.432 2.441 ( 6.384 18.861 1.121) 19.944 3.851 ( 14.634 10.097 -4.888) 18.439 4.490 ( 1.512 10.831 0.988) 10.980 5.494 ( 13.524 11.203 1.534) 17.628 6.188 ( -3.856 -5.447 2.891) 7.273 7.494 ( -13.978 29.989 -4.286) 33.363 8.793 ( 28.471 -0.874 1.052) 28.504 9.174 ( 8.465 2.221 2.474) 9.094 10.935 ( 19.170 11.470 0.886) 22.357 11.652 ( -12.356 -6.962 4.263) 14.809 12.913 ( -1.386 -1.384 -6.882) 7.155 ======================= Grid point 41 (31/489) ======================= q-point: ( 0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 8.904 3.731 -1.190) 9.727 2.700 ( 2.105 17.300 0.540) 17.436 4.144 ( 13.029 4.073 -5.714) 14.798 4.616 ( -1.211 12.624 1.350) 12.754 5.816 ( 12.118 6.273 1.588) 13.737 6.080 ( -3.948 -4.472 2.869) 6.620 7.549 ( -12.304 28.867 -3.308) 31.553 9.133 ( 12.840 -3.593 6.869) 14.999 9.492 ( 19.874 8.295 -2.153) 21.643 11.156 ( -1.631 -5.269 -14.476) 15.491 11.530 ( 1.722 5.792 15.571) 16.702 12.875 ( 2.398 -3.830 -4.702) 6.522 ======================= Grid point 42 (32/489) ======================= q-point: ( 0.47 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 6.070 0.672 -2.045) 6.441 2.868 ( -1.719 15.143 0.312) 15.243 4.349 ( 10.322 0.054 -5.206) 11.560 4.709 ( -3.470 12.861 0.910) 13.352 5.977 ( -2.934 -3.437 3.796) 5.902 6.053 ( 8.296 1.854 0.589) 8.521 7.614 ( -12.335 28.355 -2.818) 31.050 9.309 ( 10.832 -6.341 6.225) 14.011 9.901 ( 15.978 9.668 -2.315) 18.818 10.886 ( -14.029 -2.697 -10.012) 17.445 11.732 ( 7.834 1.284 7.544) 10.951 12.880 ( 4.875 -5.985 -2.049) 7.987 ======================= Grid point 43 (33/489) ======================= q-point: ( 0.53 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 3.411 -1.502 -1.807) 4.142 2.950 ( -5.193 12.963 0.353) 13.969 4.467 ( 6.417 -2.686 -3.565) 7.817 4.757 ( -5.475 11.591 -0.046) 12.819 5.912 ( -1.977 -1.818 2.382) 3.590 6.173 ( 4.530 -2.027 1.677) 5.238 7.659 ( -13.920 27.478 -2.817) 30.932 9.403 ( 7.296 -11.016 1.507) 13.299 10.203 ( 10.355 3.778 -1.978) 11.199 10.623 ( -14.252 9.375 -5.628) 17.963 11.844 ( 4.875 -5.299 3.251) 7.900 12.900 ( 5.459 -7.433 -0.060) 9.222 ======================= Grid point 44 (34/489) ======================= q-point: (-0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 0.508 -3.072 -1.174) 3.328 2.951 ( -8.740 11.021 0.402) 14.072 4.491 ( 1.814 -5.163 -1.419) 5.654 4.748 ( -7.728 9.888 -0.857) 12.578 5.897 ( 0.638 -0.109 1.113) 1.288 6.179 ( -0.583 -5.074 2.117) 5.529 7.658 ( -15.660 25.756 -2.798) 30.272 9.338 ( 0.550 -13.195 -4.584) 13.980 10.205 ( -8.903 -2.791 -1.381) 9.432 10.672 ( 4.633 16.561 -1.640) 17.275 11.817 ( -0.490 -9.187 1.092) 9.264 12.918 ( 5.122 -7.813 1.447) 9.454 ======================= Grid point 45 (35/489) ======================= q-point: (-0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( -3.522 -4.468 -0.951) 5.769 2.868 ( -12.642 9.147 0.218) 15.606 4.414 ( -3.201 -7.636 0.482) 8.293 4.684 ( -9.682 8.756 -1.282) 13.117 5.934 ( 2.530 0.419 0.175) 2.570 6.069 ( -5.500 -6.733 1.899) 8.898 7.620 ( -16.341 24.354 -2.169) 29.408 9.165 ( -2.910 -10.873 -7.372) 13.455 9.933 ( -16.928 -5.073 0.931) 17.696 10.963 ( 11.485 11.964 -4.092) 17.082 11.648 ( -7.811 -10.373 1.098) 13.031 12.938 ( 4.928 -6.795 3.094) 8.945 ======================= Grid point 46 (36/489) ======================= q-point: (-0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -8.607 -5.524 -1.282) 10.308 2.693 ( -16.759 6.959 -0.243) 18.149 4.226 ( -9.232 -8.792 1.565) 12.845 4.584 ( -10.411 7.316 -1.523) 12.816 5.818 ( -11.599 -7.997 2.067) 14.240 6.037 ( 4.885 0.813 -1.030) 5.058 7.575 ( -16.324 24.908 -0.743) 29.790 8.987 ( -2.919 -9.525 -6.687) 11.999 9.533 ( -19.064 -11.133 1.616) 22.136 11.170 ( -4.570 4.910 -17.209) 18.469 11.434 ( 1.077 -5.181 11.316) 12.492 12.979 ( 4.854 -4.629 4.582) 8.123 ======================= Grid point 47 (37/489) ======================= q-point: (-0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -13.686 -5.589 -1.667) 14.877 2.422 ( -20.496 4.312 -0.724) 20.957 3.923 ( -16.481 -7.969 1.640) 18.380 4.461 ( -10.080 5.183 -1.582) 11.444 5.494 ( -16.450 -7.800 1.591) 18.275 6.143 ( 6.343 0.879 -1.166) 6.509 7.551 ( -16.756 27.452 0.928) 32.176 8.749 ( -9.710 -20.299 -2.852) 22.682 9.147 ( -9.890 -7.594 -0.363) 12.475 10.795 ( -24.912 -2.327 -10.373) 27.085 11.654 ( 13.862 2.515 3.250) 14.459 13.045 ( 4.473 -2.209 4.995) 7.060 ======================= Grid point 48 (38/489) ======================= q-point: (-0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -17.759 -3.998 -1.466) 18.262 2.065 ( -23.148 1.637 -0.790) 23.220 3.502 ( -24.632 -5.146 0.966) 25.182 4.328 ( -9.016 2.636 -1.232) 9.474 5.120 ( -18.701 -5.102 1.050) 19.413 6.263 ( 6.804 0.538 -0.773) 6.869 7.548 ( -17.955 30.654 2.280) 35.598 8.220 ( -15.774 -32.332 -1.737) 36.017 9.023 ( -3.125 -1.532 -0.629) 3.537 10.284 ( -26.531 -0.434 -5.943) 27.192 11.924 ( 13.564 1.601 0.717) 13.677 13.119 ( 3.606 -0.463 3.587) 5.108 ======================= Grid point 49 (39/489) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -20.114 0.000 0.000) 20.114 1.653 ( -24.295 0.000 0.000) 24.295 2.974 ( -32.619 0.000 0.000) 32.619 4.195 ( -7.287 0.000 0.000) 7.287 4.768 ( -18.353 0.000 0.000) 18.353 6.382 ( 6.563 -0.000 -0.000) 6.563 7.462 ( -21.625 0.000 0.000) 21.625 7.705 ( -11.117 0.000 0.000) 11.117 8.874 ( -15.699 0.000 0.000) 15.699 9.908 ( -12.687 0.000 0.000) 12.687 12.160 ( 12.218 -0.000 -0.000) 12.218 13.178 ( 2.319 -0.000 -0.000) 2.319 ======================= Grid point 54 (40/489) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -0.000 17.718 7.160) 19.110 1.351 ( -0.000 20.137 3.496) 20.438 2.758 ( -0.000 35.641 3.275) 35.791 3.963 ( 0.000 3.820 -4.945) 6.249 4.726 ( -0.000 20.788 2.088) 20.893 6.456 ( -0.000 -6.877 1.986) 7.158 6.783 ( 0.000 0.278 -0.630) 0.689 8.248 ( 0.000 40.722 -6.469) 41.233 8.417 ( -0.000 16.300 1.959) 16.418 9.607 ( 0.000 -5.072 -5.349) 7.371 12.287 ( -0.000 -10.769 1.126) 10.828 13.281 ( 0.000 1.824 -1.613) 2.435 ======================= Grid point 55 (41/489) ======================= q-point: ( 0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 3.389 16.376 5.500) 17.604 1.662 ( 10.440 18.999 2.735) 21.850 3.136 ( 3.801 29.912 0.261) 30.154 4.062 ( 7.421 5.083 -3.684) 9.720 4.952 ( 0.281 21.884 2.820) 22.067 6.382 ( -1.192 -6.891 2.021) 7.280 7.004 ( 24.373 -0.911 -2.259) 24.494 8.213 ( -23.509 30.976 -3.529) 39.046 8.883 ( 10.075 16.810 0.697) 19.610 9.691 ( 15.840 3.208 -3.143) 16.464 12.153 ( -3.211 -10.803 1.406) 11.358 13.236 ( -5.794 1.564 -2.571) 6.529 ======================= Grid point 56 (42/489) ======================= q-point: ( 0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 6.493 13.328 3.054) 15.137 2.075 ( 13.498 18.134 1.863) 22.683 3.478 ( 5.736 21.903 -2.887) 22.825 4.271 ( 10.086 6.642 -1.964) 12.235 5.203 ( 2.510 20.830 3.520) 21.274 6.293 ( -2.054 -6.558 2.430) 7.289 7.530 ( 36.697 -1.551 -3.397) 36.886 8.119 ( -21.203 30.897 -3.867) 37.671 9.050 ( 1.322 3.165 2.563) 4.282 10.163 ( 24.451 13.381 -1.553) 27.917 11.975 ( -5.998 -9.474 2.488) 11.486 13.111 ( -8.188 1.113 -3.992) 9.177 ======================= Grid point 57 (43/489) ======================= q-point: ( 0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 7.928 9.409 0.440) 12.312 2.484 ( 11.205 17.875 1.101) 21.125 3.755 ( 7.309 13.500 -5.062) 16.165 4.512 ( 8.354 9.193 -0.290) 12.425 5.475 ( 5.139 16.652 3.329) 17.742 6.198 ( -2.667 -5.804 2.848) 6.994 8.059 ( -12.050 22.153 -0.523) 25.224 8.190 ( 33.128 6.860 -6.308) 34.414 9.112 ( 2.620 2.406 3.372) 4.901 10.681 ( 21.039 8.980 -4.004) 23.223 11.785 ( -7.874 -5.751 5.725) 11.307 12.961 ( -7.253 -0.326 -4.586) 8.587 ======================= Grid point 58 (44/489) ======================= q-point: ( 0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 7.546 5.382 -1.626) 9.411 2.819 ( 6.087 17.584 0.492) 18.615 3.974 ( 8.846 6.163 -5.987) 12.332 4.733 ( 4.183 12.185 0.935) 12.917 5.728 ( 6.841 10.063 2.607) 12.445 6.105 ( -3.098 -4.703 2.995) 6.379 8.066 ( -13.310 26.478 -1.163) 29.658 8.796 ( 28.333 1.824 -1.714) 28.444 9.251 ( 10.339 4.777 0.504) 11.401 10.985 ( 10.496 -0.844 -11.258) 15.415 11.669 ( -5.014 1.432 12.071) 13.149 12.831 ( -3.797 -3.003 -3.873) 6.200 ======================= Grid point 59 (45/489) ======================= q-point: ( 0.47 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 6.066 1.911 -2.666) 6.896 3.051 ( 0.554 16.717 0.225) 16.728 4.149 ( 9.638 0.619 -5.819) 11.276 4.902 ( -0.808 14.425 1.257) 14.502 5.924 ( 6.800 2.421 2.811) 7.746 6.021 ( -2.797 -2.728 2.174) 4.471 8.120 ( -11.689 27.675 -1.158) 30.064 9.106 ( 9.597 -3.105 3.539) 10.689 9.623 ( 22.715 7.366 -5.191) 24.438 10.975 ( -2.451 -1.326 -12.206) 12.520 11.710 ( 0.575 1.677 11.590) 11.725 12.747 ( 0.945 -6.514 -2.101) 6.910 ======================= Grid point 60 (46/489) ======================= q-point: ( 0.53 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 4.300 -0.532 -2.556) 5.030 3.181 ( -3.996 15.286 0.324) 15.803 4.279 ( 8.807 -3.355 -4.837) 10.593 5.001 ( -5.418 15.111 0.719) 16.069 5.938 ( -2.212 -2.753 3.087) 4.690 6.065 ( 5.620 -1.693 1.535) 6.067 8.186 ( -13.189 28.533 -2.634) 31.543 9.188 ( 6.409 -8.753 2.784) 11.200 10.019 ( 15.322 5.678 -5.603) 17.274 10.881 ( -6.621 8.464 -7.928) 13.355 11.745 ( 1.072 -4.962 7.036) 8.676 12.715 ( 4.948 -9.482 -0.198) 10.697 ======================= Grid point 61 (47/489) ======================= q-point: (-0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 2.305 -1.989 -1.770) 3.521 3.226 ( -7.721 13.528 0.517) 15.585 4.348 ( 6.151 -6.151 -3.227) 9.278 5.022 ( -9.021 14.002 -0.175) 16.657 5.899 ( -0.811 -1.109 2.006) 2.431 6.112 ( 2.924 -5.273 2.153) 6.403 8.193 ( -15.809 25.381 -4.548) 30.246 9.190 ( 3.281 -8.455 0.550) 9.086 10.199 ( 3.626 0.039 -3.985) 5.388 10.876 ( -5.982 16.245 -4.149) 17.802 11.706 ( 1.516 -10.156 3.396) 10.815 12.720 ( 6.935 -10.459 1.113) 12.599 ======================= Grid point 62 (48/489) ======================= q-point: (-0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -0.683 -2.836 -1.073) 3.108 3.187 ( -11.371 11.281 0.491) 16.025 4.343 ( 2.028 -7.545 -1.334) 7.926 4.970 ( -11.303 11.428 -0.867) 16.097 5.904 ( 1.340 -0.032 1.191) 1.793 6.072 ( -1.553 -6.592 2.007) 7.063 8.126 ( -15.303 19.806 -4.872) 25.499 9.138 ( -3.287 -1.351 -1.844) 4.004 10.106 ( -9.399 -7.303 -0.357) 11.908 10.969 ( 0.593 14.641 -4.023) 15.195 11.621 ( -0.788 -10.360 1.500) 10.498 12.755 ( 7.715 -8.874 2.009) 11.929 ======================= Grid point 63 (49/489) ======================= q-point: (-0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -5.073 -3.107 -0.803) 6.003 3.054 ( -15.304 8.049 0.184) 17.293 4.257 ( -3.182 -6.970 0.128) 7.663 4.857 ( -12.235 7.909 -1.086) 14.609 5.915 ( -4.994 -4.357 2.677) 7.148 5.973 ( 1.228 -1.417 -0.804) 2.040 8.054 ( -11.971 17.292 -3.135) 21.264 9.031 ( -9.381 3.284 -3.189) 10.438 9.744 ( -18.359 -14.449 1.739) 23.427 11.152 ( 6.721 10.997 -7.868) 15.101 11.466 ( -6.585 -9.211 4.170) 12.067 12.828 ( 7.866 -5.494 2.465) 9.906 ======================= Grid point 64 (50/489) ======================= q-point: (-0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -10.165 -2.326 -0.630) 10.447 2.813 ( -19.096 3.869 -0.120) 19.484 4.092 ( -9.490 -4.262 0.560) 10.418 4.700 ( -12.017 3.909 -0.784) 12.661 5.700 ( -13.017 -3.983 1.120) 13.659 6.044 ( 5.282 0.306 -0.441) 5.310 8.042 ( -8.907 17.407 -0.692) 19.566 8.812 ( -16.922 -4.352 -2.288) 17.622 9.280 ( -15.739 -11.258 1.087) 19.381 11.129 ( -17.036 1.174 -7.291) 18.567 11.449 ( 11.915 -0.598 4.369) 12.704 12.931 ( 7.196 -2.113 1.958) 7.751 ======================= Grid point 65 (51/489) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -14.752 0.000 0.000) 14.752 2.471 ( -21.910 0.000 0.000) 21.910 3.841 ( -16.889 0.000 0.000) 16.889 4.516 ( -10.896 0.000 0.000) 10.896 5.413 ( -17.123 0.000 0.000) 17.123 6.147 ( 6.395 -0.000 -0.000) 6.395 8.040 ( -7.203 0.000 0.000) 7.203 8.328 ( -26.625 0.000 0.000) 26.625 9.065 ( -4.896 0.000 0.000) 4.896 10.738 ( -25.319 0.000 0.000) 25.319 11.691 ( 14.031 -0.000 -0.000) 14.031 13.039 ( 5.718 -0.000 -0.000) 5.718 ======================= Grid point 72 (52/489) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -0.000 15.930 3.767) 16.370 1.765 ( -0.000 18.482 3.032) 18.729 3.397 ( 0.000 26.943 -1.865) 27.007 4.036 ( 0.000 6.207 -3.119) 6.947 5.194 ( -0.000 23.324 3.329) 23.560 6.330 ( -0.000 -6.818 2.061) 7.122 6.764 ( 0.000 -0.438 -3.800) 3.825 8.793 ( -0.000 18.637 3.136) 18.898 8.933 ( 0.000 25.898 -3.156) 26.089 9.525 ( 0.000 4.478 -6.201) 7.649 12.079 ( -0.000 -10.205 1.862) 10.374 13.292 ( 0.000 0.491 -1.981) 2.041 ======================= Grid point 73 (53/489) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 1.765 13.824 1.811) 14.054 2.045 ( 9.634 16.967 2.370) 19.655 3.639 ( 0.697 21.361 -4.394) 21.819 4.165 ( 7.686 6.988 -1.817) 10.546 5.434 ( -0.898 22.951 3.996) 23.313 6.262 ( -0.974 -6.343 2.517) 6.893 6.957 ( 23.362 -0.998 -4.891) 23.889 8.764 ( -19.913 23.124 -0.723) 30.525 9.089 ( -0.185 4.636 2.456) 5.250 9.869 ( 22.372 16.239 -7.146) 28.553 11.969 ( -2.667 -8.040 2.957) 8.972 13.235 ( -5.628 0.096 -2.516) 6.165 ======================= Grid point 74 (54/489) ======================= q-point: ( 0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 3.539 10.561 -0.441) 11.147 2.427 ( 13.738 15.342 1.503) 20.649 3.817 ( 0.921 15.042 -6.024) 16.230 4.409 ( 11.526 7.768 -0.495) 13.908 5.649 ( -1.099 19.994 3.984) 20.416 6.189 ( -1.676 -5.363 3.104) 6.419 7.467 ( 36.658 -1.408 -4.560) 36.968 8.631 ( -16.950 17.727 -1.253) 24.559 9.162 ( -0.692 10.173 1.718) 10.340 10.372 ( 21.470 8.994 -7.228) 24.374 11.858 ( -4.318 -4.086 5.245) 7.928 13.095 ( -8.735 -0.265 -2.892) 9.205 ======================= Grid point 75 (55/489) ======================= q-point: ( 0.41 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 4.578 6.788 -2.274) 8.498 2.817 ( 12.604 14.248 0.723) 19.036 3.937 ( 1.801 8.834 -6.434) 11.076 4.700 ( 11.489 9.094 0.589) 14.665 5.816 ( -1.098 13.963 3.043) 14.333 6.119 ( -2.374 -3.659 3.467) 5.572 8.107 ( 35.914 -1.593 0.559) 35.953 8.566 ( -6.873 16.211 -4.665) 18.215 9.268 ( -1.346 13.331 -0.324) 13.403 10.716 ( 15.543 0.632 -9.164) 18.055 11.789 ( -3.870 0.243 8.425) 9.275 12.918 ( -9.140 -1.413 -2.605) 9.609 ======================= Grid point 76 (56/489) ======================= q-point: ( 0.47 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 4.568 3.292 -3.171) 6.462 3.142 ( 7.814 13.910 0.259) 15.956 4.021 ( 3.773 2.939 -5.896) 7.592 4.981 ( 8.067 11.245 1.177) 13.889 5.910 ( -0.179 4.987 2.364) 5.522 6.059 ( -3.165 -0.861 2.982) 4.433 8.465 ( 0.458 9.522 8.920) 13.056 8.840 ( 22.547 5.983 -10.675) 25.654 9.397 ( 5.233 10.931 -3.408) 12.589 10.880 ( 7.623 0.665 -10.068) 12.645 11.779 ( -2.069 0.102 10.049) 10.260 12.739 ( -7.099 -4.008 -1.698) 8.327 ======================= Grid point 77 (57/489) ======================= q-point: ( 0.53 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 3.952 0.700 -2.994) 5.008 3.365 ( 1.388 14.019 0.271) 14.090 4.091 ( 6.165 -2.397 -4.882) 8.221 5.201 ( 1.648 13.970 0.972) 14.100 5.932 ( 0.569 -2.962 3.274) 4.451 6.018 ( -1.944 0.308 1.158) 2.284 8.592 ( -3.573 17.376 3.242) 18.033 9.039 ( 3.310 -4.095 -2.537) 5.845 9.737 ( 21.093 8.871 -7.208) 23.991 10.967 ( 1.970 8.138 -8.671) 12.054 11.757 ( -2.753 -4.339 9.023) 10.384 12.588 ( -2.387 -8.025 -0.408) 8.382 ======================= Grid point 78 (58/489) ======================= q-point: ( 0.59 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 3.034 -0.780 -2.084) 3.763 3.476 ( -4.519 13.351 0.527) 14.105 4.152 ( 7.249 -6.032 -3.572) 10.084 5.312 ( -6.163 15.047 0.058) 16.260 5.910 ( -0.738 -2.314 2.914) 3.794 6.005 ( 2.519 -4.989 1.049) 5.686 8.639 ( -12.407 16.068 -5.994) 21.167 9.048 ( 6.620 -4.875 5.522) 9.903 10.096 ( 11.004 7.009 -7.257) 14.929 11.067 ( -0.074 13.281 -5.860) 14.517 11.650 ( -4.656 -8.480 6.327) 11.559 12.505 ( 4.110 -11.062 0.900) 11.835 ======================= Grid point 79 (59/489) ======================= q-point: (-0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 1.391 -1.346 -1.092) 2.222 3.480 ( -9.073 10.595 0.557) 13.960 4.193 ( 5.877 -6.689 -1.977) 9.121 5.288 ( -11.650 11.681 -0.646) 16.510 5.895 ( 0.005 -0.619 1.704) 1.813 6.001 ( 2.748 -6.441 1.402) 7.142 8.479 ( -13.242 5.872 -6.590) 15.914 9.193 ( 3.883 6.988 5.022) 9.440 10.164 ( -4.764 -0.445 -5.010) 6.928 11.160 ( -4.145 13.498 -2.994) 14.434 11.514 ( -0.395 -10.120 2.708) 10.484 12.519 ( 8.780 -9.430 1.461) 12.967 ======================= Grid point 80 (60/489) ======================= q-point: (-0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( -1.594 -1.152 -0.440) 2.016 3.373 ( -12.861 5.610 0.263) 14.033 4.206 ( 2.258 -4.221 -0.542) 4.818 5.150 ( -13.461 5.665 -0.579) 14.616 5.912 ( 1.653 0.037 1.193) 2.039 5.966 ( -1.466 -3.816 0.331) 4.102 8.306 ( -8.899 3.114 -3.316) 9.994 9.293 ( -6.061 11.879 1.474) 13.417 9.903 ( -16.134 -10.299 -1.097) 19.172 11.186 ( -2.283 8.253 -2.579) 8.942 11.454 ( 0.317 -6.318 1.293) 6.456 12.623 ( 10.159 -4.361 1.085) 11.108 ======================= Grid point 81 (61/489) ======================= q-point: (-0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -5.766 0.000 0.000) 5.766 3.146 ( -16.323 0.000 0.000) 16.323 4.178 ( -3.023 0.000 0.000) 3.023 4.941 ( -13.218 0.000 0.000) 13.218 5.865 ( -7.682 0.000 0.000) 7.682 5.965 ( 3.726 -0.000 -0.000) 3.726 8.207 ( -4.610 0.000 0.000) 4.610 9.168 ( -17.855 0.000 0.000) 17.855 9.501 ( -18.496 0.000 0.000) 18.496 11.270 ( 7.402 -0.000 -0.000) 7.402 11.355 ( -8.533 0.000 0.000) 8.533 12.777 ( 9.255 -0.000 -0.000) 9.255 ======================= Grid point 90 (62/489) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 0.000 12.499 0.232) 12.502 2.131 ( -0.000 15.694 2.370) 15.872 3.816 ( 0.000 17.742 -6.257) 18.813 4.163 ( 0.000 7.580 -0.827) 7.625 5.693 ( -0.000 22.748 3.960) 23.091 6.220 ( -0.000 -5.526 2.958) 6.268 6.717 ( 0.000 -0.630 -5.888) 5.922 9.102 ( -0.000 -4.272 4.829) 6.447 9.192 ( -0.000 18.183 3.302) 18.481 9.800 ( 0.000 23.479 -13.966) 27.318 11.937 ( -0.000 -4.951 3.684) 6.172 13.273 ( 0.000 -0.791 -2.402) 2.529 ======================= Grid point 91 (63/489) ======================= q-point: ( 0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 0.526 10.112 -1.546) 10.243 2.371 ( 9.018 13.655 1.805) 16.463 3.943 ( -0.740 13.322 -7.236) 15.178 4.309 ( 7.679 7.615 0.201) 10.816 5.900 ( -2.358 19.190 2.997) 19.565 6.177 ( -0.869 -3.408 4.194) 5.474 6.900 ( 23.049 -0.667 -6.036) 23.836 8.954 ( -10.675 -2.756 4.716) 11.992 9.360 ( -2.195 19.719 0.257) 19.843 10.112 ( 14.755 12.245 -11.399) 22.307 11.904 ( -1.993 -0.730 4.819) 5.265 13.207 ( -5.260 -1.061 -2.438) 5.894 ======================= Grid point 92 (64/489) ======================= q-point: ( 0.41 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 1.416 7.126 -2.978) 7.852 2.708 ( 13.687 11.378 1.084) 17.832 4.010 ( -1.443 9.055 -7.020) 11.548 4.566 ( 12.271 7.335 0.903) 14.325 6.000 ( -3.202 8.291 0.908) 8.934 6.166 ( -2.700 4.204 5.701) 7.580 7.415 ( 37.099 -0.505 -4.555) 37.381 8.780 ( -8.224 -0.181 3.482) 8.932 9.509 ( -4.321 20.675 -3.048) 21.340 10.413 ( 15.839 1.696 -8.542) 18.075 11.887 ( -3.287 2.258 5.875) 7.101 13.062 ( -8.776 -1.161 -2.057) 9.088 ======================= Grid point 93 (65/489) ======================= q-point: ( 0.47 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 2.241 4.092 -3.499) 5.832 3.062 ( 13.912 9.576 0.480) 16.896 4.030 ( -1.568 5.032 -5.880) 7.896 4.875 ( 13.744 7.290 1.199) 15.604 5.987 ( -2.729 0.394 1.026) 2.942 6.178 ( -5.786 7.478 4.218) 10.353 8.088 ( 39.095 -0.515 0.230) 39.099 8.712 ( -0.844 2.396 -0.471) 2.584 9.579 ( -7.214 16.153 -5.716) 18.592 10.663 ( 14.714 1.586 -6.470) 16.152 11.864 ( -4.190 0.918 6.483) 7.774 12.871 ( -10.572 -1.762 -1.293) 10.796 ======================= Grid point 94 (66/489) ======================= q-point: ( 0.53 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 2.645 1.636 -3.041) 4.350 3.376 ( 10.872 8.951 0.276) 14.085 4.019 ( -0.873 0.721 -4.432) 4.574 5.188 ( 12.330 8.116 1.105) 14.802 5.939 ( -2.430 -1.552 1.533) 3.265 6.130 ( -7.605 3.909 2.228) 8.836 8.625 ( 14.988 0.206 13.388) 20.098 8.844 ( 15.639 2.780 -13.058) 20.563 9.593 ( 0.167 10.267 -6.591) 12.202 10.922 ( 10.998 9.124 -6.080) 15.530 11.792 ( -4.613 -4.786 7.000) 9.653 12.653 ( -10.746 -3.423 -0.460) 11.287 ======================= Grid point 95 (67/489) ======================= q-point: ( 0.59 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 2.737 0.150 -1.952) 3.365 3.614 ( 4.676 10.290 0.684) 11.324 3.989 ( 1.734 -4.655 -3.264) 5.944 5.460 ( 6.983 10.672 0.350) 12.758 5.884 ( -1.687 -3.605 2.132) 4.515 6.019 ( -6.758 -0.718 0.707) 6.833 8.855 ( 5.519 6.815 3.183) 9.329 8.926 ( -1.214 -4.239 -2.338) 4.991 9.867 ( 19.616 7.858 -6.428) 22.088 11.159 ( 3.360 15.181 -6.379) 16.806 11.664 ( -3.477 -10.598 7.232) 13.293 12.438 ( -7.517 -6.059 0.271) 9.659 ======================= Grid point 96 (68/489) ======================= q-point: (-0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 2.375 -0.345 -0.798) 2.529 3.713 ( -5.929 8.833 0.759) 10.665 3.998 ( 7.886 -6.404 -1.820) 10.321 5.588 ( -8.321 11.641 -0.865) 14.336 5.845 ( 5.127 -7.493 2.776) 9.494 5.924 ( -2.307 -1.290 -0.393) 2.672 8.705 ( -12.541 -0.218 -4.367) 13.281 9.120 ( 11.668 3.174 4.724) 12.982 10.183 ( 7.275 4.575 -4.251) 9.588 11.272 ( -0.930 8.364 -2.977) 8.926 11.529 ( -5.223 -5.838 3.482) 8.572 12.322 ( 2.626 -6.139 0.738) 6.717 ======================= Grid point 97 (69/489) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 1.025 -0.000 -0.000) 1.025 3.607 ( -10.341 0.000 0.000) 10.341 4.101 ( 6.699 -0.000 -0.000) 6.699 5.422 ( -13.989 0.000 0.000) 13.989 5.899 ( 0.013 -0.000 -0.000) 0.013 5.920 ( 4.424 -0.000 -0.000) 4.424 8.483 ( -11.292 0.000 0.000) 11.292 9.332 ( 7.724 -0.000 -0.000) 7.724 10.131 ( -12.638 0.000 0.000) 12.638 11.354 ( 5.392 -0.000 -0.000) 5.392 11.356 ( -10.304 0.000 0.000) 10.304 12.416 ( 10.145 -0.000 -0.000) 10.145 ======================= Grid point 108 (70/489) ======================= q-point: ( 0.35 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 0.000 8.440 -2.616) 8.836 2.425 ( -0.000 11.844 1.590) 11.950 4.044 ( 0.000 10.321 -7.617) 12.827 4.318 ( -0.000 7.386 0.976) 7.450 6.070 ( 0.000 5.139 -0.369) 5.152 6.223 ( -0.000 9.812 7.166) 12.150 6.660 ( 0.000 -0.588 -6.321) 6.348 9.016 ( -0.000 -6.682 5.981) 8.968 9.554 ( -0.000 15.169 2.714) 15.410 10.070 ( 0.000 12.503 -14.516) 19.158 11.951 ( -0.000 3.163 4.606) 5.588 13.231 ( 0.000 -1.593 -2.335) 2.827 ======================= Grid point 109 (71/489) ======================= q-point: ( 0.41 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -0.293 6.230 -3.421) 7.114 2.615 ( 8.500 9.431 1.131) 12.746 4.095 ( -1.303 7.314 -6.921) 10.153 4.461 ( 7.491 6.492 1.386) 10.009 6.061 ( -1.323 -1.264 0.370) 1.866 6.349 ( -3.281 13.166 5.498) 14.641 6.849 ( 23.394 -0.112 -5.380) 24.005 8.902 ( -6.814 -4.707 5.203) 9.781 9.729 ( 0.860 15.762 -0.220) 15.787 10.184 ( 8.031 3.447 -10.442) 13.617 11.993 ( -2.265 5.153 4.254) 7.056 13.163 ( -4.832 -1.553 -1.948) 5.437 ======================= Grid point 110 (72/489) ======================= q-point: ( 0.47 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 0.133 3.899 -3.431) 5.195 2.898 ( 13.457 6.874 0.633) 15.124 4.100 ( -2.422 4.632 -5.394) 7.511 4.704 ( 12.530 5.186 1.296) 13.622 6.020 ( -1.860 -1.528 0.718) 2.512 6.398 ( -6.370 9.655 3.776) 12.168 7.383 ( 37.844 0.192 -3.306) 37.989 8.771 ( -5.068 -2.321 3.501) 6.582 9.831 ( -5.902 12.719 -5.106) 14.923 10.380 ( 15.942 0.897 -4.155) 16.499 11.991 ( -5.146 3.717 3.764) 7.380 13.024 ( -8.577 -1.261 -1.234) 8.756 ======================= Grid point 111 (73/489) ======================= q-point: ( 0.53 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 0.957 1.844 -2.570) 3.305 3.209 ( 14.773 4.718 0.259) 15.510 4.067 ( -3.385 2.186 -3.476) 5.321 4.999 ( 15.175 4.060 0.951) 15.737 5.972 ( -2.343 -1.231 0.714) 2.742 6.345 ( -9.471 5.375 2.126) 11.096 8.086 ( 40.846 0.121 0.041) 40.847 8.722 ( 0.628 -0.464 0.415) 0.884 9.762 ( -9.034 6.135 -5.354) 12.162 10.713 ( 18.789 5.329 -2.378) 19.674 11.903 ( -8.439 -0.403 3.397) 9.106 12.834 ( -11.426 -1.174 -0.494) 11.497 ======================= Grid point 112 (74/489) ======================= q-point: ( 0.59 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 1.756 0.478 -1.247) 2.206 3.501 ( 13.929 3.166 0.179) 14.285 4.000 ( -4.542 -0.078 -1.702) 4.851 5.309 ( 15.498 3.033 0.471) 15.799 5.918 ( -2.943 -0.851 0.538) 3.110 6.199 ( -11.464 1.526 0.796) 11.593 8.699 ( 22.464 -0.706 8.924) 24.182 8.793 ( 9.428 0.646 -8.531) 12.731 9.691 ( 1.290 3.216 -3.170) 4.697 11.094 ( 17.365 7.963 -2.696) 19.293 11.713 ( -11.241 -5.080 3.232) 12.752 12.603 ( -13.173 -1.300 -0.036) 13.237 ======================= Grid point 113 (75/489) ======================= q-point: (-0.35 -0.65 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 2.350 -0.000 -0.000) 2.350 3.755 ( 12.610 -0.000 -0.000) 12.610 3.895 ( -6.491 0.000 0.000) 6.491 5.588 ( 13.754 -0.000 -0.000) 13.754 5.840 ( -6.630 0.000 0.000) 6.630 6.012 ( -9.134 0.000 0.000) 9.134 8.868 ( -4.906 0.000 0.000) 4.906 8.935 ( 11.049 -0.000 -0.000) 11.049 9.928 ( 20.182 -0.000 -0.000) 20.182 11.420 ( 12.282 -0.000 -0.000) 12.282 11.459 ( -12.269 0.000 0.000) 12.269 12.374 ( -10.592 0.000 0.000) 10.592 ======================= Grid point 127 (76/489) ======================= q-point: ( 0.41 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 0.000 4.602 -3.407) 5.726 2.627 ( -0.000 7.299 0.860) 7.350 4.147 ( 0.000 5.169 -5.802) 7.771 4.460 ( -0.000 5.447 1.550) 5.663 6.057 ( -0.000 -1.834 0.544) 1.913 6.533 ( -0.000 11.788 4.212) 12.518 6.608 ( 0.000 -0.451 -4.905) 4.925 8.938 ( -0.000 -4.734 4.822) 6.757 9.828 ( -0.000 10.046 1.730) 10.194 10.129 ( 0.000 3.538 -10.312) 10.902 12.087 ( -0.000 6.172 3.057) 6.888 13.182 ( 0.000 -1.619 -1.660) 2.319 ======================= Grid point 128 (77/489) ======================= q-point: ( 0.47 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -0.691 2.838 -2.774) 4.028 2.765 ( 8.128 4.776 0.522) 9.442 4.158 ( -1.507 3.171 -4.058) 5.366 4.577 ( 7.167 3.736 1.214) 8.173 6.033 ( -1.019 -1.295 0.487) 1.718 6.587 ( -3.454 6.810 2.237) 7.957 6.826 ( 22.898 0.836 -2.733) 23.075 8.855 ( -5.487 -2.812 3.292) 6.990 9.975 ( 1.984 8.910 -0.984) 9.181 10.148 ( 6.447 -0.517 -5.079) 8.224 12.123 ( -3.424 4.550 2.081) 6.063 13.123 ( -4.460 -1.170 -1.064) 4.732 ======================= Grid point 129 (78/489) ======================= q-point: ( 0.53 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -0.418 1.208 -1.505) 1.975 2.993 ( 13.260 2.283 0.207) 13.457 4.132 ( -2.787 1.398 -1.993) 3.701 4.783 ( 12.569 1.866 0.590) 12.720 6.000 ( -1.754 -0.665 0.303) 1.900 6.550 ( -7.510 3.397 1.232) 8.334 7.373 ( 38.255 0.232 -1.187) 38.274 8.753 ( -4.166 -1.010 1.397) 4.509 9.946 ( -8.046 2.777 -2.869) 8.983 10.401 ( 19.133 1.725 -0.530) 19.217 12.065 ( -7.479 1.579 1.210) 7.739 12.999 ( -8.358 -0.546 -0.407) 8.385 ======================= Grid point 130 (79/489) ======================= q-point: (-0.41 -0.59 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 0.567 -0.000 -0.000) 0.567 3.257 ( 15.067 -0.000 -0.000) 15.067 4.076 ( -3.973 0.000 0.000) 3.973 5.045 ( 15.690 -0.000 -0.000) 15.690 5.961 ( -2.347 0.000 0.000) 2.347 6.408 ( -10.595 0.000 0.000) 10.595 8.088 ( 41.447 -0.000 -0.000) 41.447 8.717 ( 0.652 -0.000 -0.000) 0.652 9.796 ( -9.040 0.000 0.000) 9.040 10.771 ( 21.257 -0.000 -0.000) 21.257 11.908 ( -11.205 0.000 0.000) 11.205 12.820 ( -11.684 0.000 0.000) 11.684 ======================= Grid point 146 (80/489) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 0.000 1.416 -1.555) 2.103 2.730 ( -0.000 2.456 0.264) 2.470 4.184 ( 0.000 1.552 -2.117) 2.625 4.546 ( -0.000 2.019 0.730) 2.147 6.033 ( -0.000 -0.697 0.242) 0.738 6.577 ( 0.000 -0.179 -1.864) 1.872 6.717 ( -0.000 4.149 1.427) 4.388 8.896 ( -0.000 -1.682 1.856) 2.505 9.974 ( -0.000 3.514 0.589) 3.563 10.113 ( 0.000 0.525 -3.637) 3.674 12.199 ( -0.000 2.802 0.954) 2.960 13.149 ( 0.000 -0.712 -0.590) 0.925 ======================= Grid point 147 (81/489) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -0.795 0.000 0.000) 0.795 2.815 ( 7.991 -0.000 -0.000) 7.991 4.174 ( -1.563 0.000 0.000) 1.563 4.620 ( 6.995 -0.000 -0.000) 6.995 6.021 ( -0.974 0.000 0.000) 0.974 6.657 ( -0.602 0.000 0.000) 0.602 6.832 ( 19.958 -0.000 -0.000) 19.958 8.838 ( -5.125 0.000 0.000) 5.125 10.068 ( -4.578 0.000 0.000) 4.578 10.116 ( 13.072 -0.000 -0.000) 13.072 12.180 ( -4.019 0.000 0.000) 4.019 13.106 ( -4.301 0.000 0.000) 4.301 ======================= Grid point 313 (82/489) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.223 ( -0.000 0.000 20.693) 20.693 0.223 ( -0.000 0.000 20.693) 20.693 0.406 ( -0.000 0.000 37.604) 37.604 3.971 ( 0.000 -0.000 -2.163) 2.163 3.971 ( 0.000 -0.000 -2.163) 2.163 6.685 ( -0.000 0.000 0.702) 0.702 6.685 ( -0.000 0.000 0.702) 0.702 7.690 ( 0.000 -0.000 -2.739) 2.739 7.902 ( 0.000 -0.000 -0.081) 0.081 7.902 ( 0.000 -0.000 -0.081) 0.081 12.651 ( -0.000 0.000 1.140) 1.140 12.958 ( -0.000 0.000 1.650) 1.650 ======================= Grid point 314 (83/489) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 9.813 5.665 19.150) 22.251 0.568 ( 16.352 9.441 12.210) 22.485 1.029 ( 34.796 20.090 12.934) 42.210 4.003 ( 2.002 1.156 -0.559) 2.379 4.018 ( 6.338 3.659 -4.311) 8.494 6.662 ( -0.515 -0.297 -1.611) 1.717 6.698 ( -6.273 -3.621 7.482) 10.414 7.036 ( 20.425 11.792 8.522) 25.077 7.970 ( 5.298 3.059 0.734) 6.161 9.663 ( 22.969 13.261 -36.086) 44.784 12.609 ( -4.010 -2.315 1.370) 4.829 13.084 ( 1.902 1.098 -10.401) 10.630 ======================= Grid point 315 (84/489) ======================= q-point: ( 0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 14.042 8.107 13.324) 20.986 1.000 ( 17.294 9.985 8.253) 21.608 1.886 ( 35.037 20.229 4.953) 40.760 4.058 ( 2.672 1.543 0.797) 3.187 4.238 ( 13.560 7.829 -4.172) 16.203 6.596 ( -4.779 -2.759 3.689) 6.638 6.655 ( 0.754 0.436 -3.563) 3.668 7.716 ( 32.462 18.742 6.428) 38.031 8.148 ( 9.547 5.512 1.446) 11.118 9.847 ( 5.016 2.896 -6.579) 8.765 12.477 ( -7.581 -4.377 1.077) 8.820 13.045 ( -0.944 -0.545 -11.266) 11.319 ======================= Grid point 316 (85/489) ======================= q-point: ( 0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 16.139 9.318 8.056) 20.303 1.423 ( 16.663 9.621 5.832) 20.106 2.670 ( 31.072 17.939 0.729) 35.886 4.130 ( 3.123 1.803 1.598) 3.944 4.601 ( 18.186 10.499 -2.618) 21.162 6.491 ( -5.300 -3.060 2.913) 6.778 6.675 ( 2.327 1.344 -4.671) 5.389 8.417 ( 12.805 7.393 1.862) 14.903 8.474 ( 28.769 16.610 1.956) 33.277 9.975 ( 7.629 4.405 8.545) 12.272 12.268 ( -10.502 -6.063 0.236) 12.128 12.981 ( -0.594 -0.343 -12.671) 12.689 ======================= Grid point 317 (86/489) ======================= q-point: ( 0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 15.523 8.962 4.115) 18.390 1.811 ( 15.043 8.685 3.922) 17.807 3.328 ( 25.566 14.760 -2.492) 29.626 4.212 ( 3.290 1.899 1.829) 4.216 5.040 ( 19.470 11.241 -0.819) 22.497 6.371 ( -5.794 -3.345 2.916) 7.299 6.730 ( 3.752 2.166 -4.945) 6.575 8.747 ( 14.653 8.460 2.016) 17.039 8.982 ( 14.605 8.432 -0.955) 16.892 10.331 ( 19.069 11.010 15.658) 27.019 11.993 ( -12.971 -7.489 -1.008) 15.011 12.937 ( 0.762 0.440 -12.369) 12.401 ======================= Grid point 318 (87/489) ======================= q-point: ( 0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 12.959 7.482 1.035) 14.999 2.145 ( 12.533 7.236 2.391) 14.668 3.843 ( 19.807 11.436 -4.735) 23.356 4.293 ( 3.089 1.784 1.691) 3.948 5.477 ( 17.637 10.183 0.452) 20.371 6.245 ( -5.968 -3.446 3.155) 7.579 6.811 ( 4.590 2.650 -4.679) 7.069 9.099 ( 14.622 8.442 1.990) 17.001 9.226 ( 8.060 4.653 3.113) 9.813 10.888 ( 22.479 12.978 10.620) 28.046 11.659 ( -15.135 -8.738 -1.560) 17.546 12.933 ( 2.288 1.321 -9.864) 10.212 ======================= Grid point 319 (88/489) ======================= q-point: ( 0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 9.253 5.343 -1.157) 10.748 2.407 ( 9.332 5.388 1.304) 10.855 4.223 ( 14.619 8.440 -5.884) 17.877 4.365 ( 2.493 1.439 1.419) 3.209 5.847 ( 13.541 7.818 1.253) 15.686 6.119 ( -5.719 -3.302 3.289) 7.377 6.903 ( 4.528 2.614 -4.209) 6.712 9.425 ( 12.453 7.190 1.843) 14.497 9.440 ( 9.394 5.423 6.954) 12.884 11.221 ( -10.413 -6.012 -15.380) 19.523 11.450 ( 11.630 6.714 15.984) 20.876 12.969 ( 3.105 1.793 -6.058) 7.039 ======================= Grid point 320 (89/489) ======================= q-point: ( 0.47 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 5.423 3.131 -2.133) 6.615 2.586 ( 5.706 3.295 0.687) 6.625 4.417 ( 1.546 0.892 1.142) 2.119 4.487 ( 9.922 5.729 -6.021) 12.943 6.005 ( -4.887 -2.821 3.816) 6.812 6.110 ( 8.384 4.840 1.182) 9.753 6.984 ( 3.495 2.018 -3.748) 5.508 9.676 ( 8.291 4.787 1.614) 9.709 9.724 ( 12.603 7.276 7.999) 16.606 10.804 ( -17.492 -10.099 -12.309) 23.653 11.793 ( 10.914 6.301 5.857) 13.897 13.024 ( 2.689 1.553 -2.577) 4.035 ======================= Grid point 321 (90/489) ======================= q-point: ( 0.53 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 2.111 1.219 -1.942) 3.117 2.677 ( 1.857 1.072 0.421) 2.185 4.443 ( 0.347 0.200 0.842) 0.933 4.639 ( 4.702 2.714 -5.143) 7.478 5.924 ( -2.766 -1.597 2.745) 4.211 6.247 ( 2.808 1.621 2.141) 3.886 7.033 ( 1.727 0.997 -3.318) 3.872 9.812 ( 2.726 1.574 1.353) 3.426 10.049 ( 10.133 5.850 3.378) 12.179 10.376 ( -12.288 -7.095 -10.277) 17.520 11.975 ( 3.268 1.887 2.467) 4.509 13.067 ( 1.408 0.813 -0.282) 1.651 ======================= Grid point 322 (91/489) ======================= q-point: (-0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -1.154 -0.666 -1.377) 1.916 2.675 ( -2.132 -1.231 0.267) 2.476 4.438 ( -0.964 -0.556 0.400) 1.183 4.663 ( -1.499 -0.866 -3.151) 3.595 5.905 ( 0.545 0.315 1.247) 1.397 6.254 ( -2.909 -1.679 2.723) 4.324 7.039 ( -0.279 -0.161 -2.797) 2.815 9.809 ( -3.337 -1.926 1.110) 4.010 9.850 ( -14.651 -8.459 -13.784) 21.822 10.531 ( 15.835 9.142 2.826) 18.502 11.959 ( -5.283 -3.050 1.133) 6.205 13.088 ( 0.237 0.137 1.479) 1.504 ======================= Grid point 323 (92/489) ======================= q-point: (-0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -5.235 -3.023 -1.360) 6.196 2.578 ( -6.200 -3.580 -0.017) 7.160 4.401 ( -2.209 -1.275 -0.300) 2.568 4.548 ( -7.651 -4.418 -0.726) 8.865 5.951 ( 2.788 1.610 -0.193) 3.225 6.134 ( -7.961 -4.596 2.844) 9.622 7.003 ( -1.957 -1.130 -2.028) 3.036 9.494 ( -11.072 -6.392 -12.968) 18.210 9.669 ( -8.882 -5.128 0.922) 10.298 10.905 ( 15.139 8.740 -3.550) 17.837 11.745 ( -12.929 -7.464 2.228) 15.094 13.095 ( -0.235 -0.136 3.686) 3.696 ======================= Grid point 324 (93/489) ======================= q-point: (-0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -9.981 -5.763 -2.075) 11.711 2.386 ( -10.166 -5.869 -0.548) 11.751 4.302 ( -13.607 -7.856 1.057) 15.748 4.335 ( -3.176 -1.834 -1.281) 3.885 5.856 ( -13.072 -7.547 2.534) 15.306 6.075 ( 4.322 2.496 -0.912) 5.074 6.940 ( -2.911 -1.681 -0.946) 3.492 9.257 ( -5.768 -3.330 -9.543) 11.637 9.413 ( -13.019 -7.516 0.782) 15.053 11.052 ( -6.673 -3.853 -19.182) 20.672 11.526 ( -0.227 -0.131 11.641) 11.644 13.108 ( -0.101 -0.058 6.264) 6.265 ======================= Grid point 325 (94/489) ======================= q-point: (-0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -14.319 -8.267 -2.988) 16.802 2.104 ( -13.687 -7.902 -1.245) 15.854 3.917 ( -20.038 -11.569 1.890) 23.215 4.247 ( -3.657 -2.111 -2.430) 4.871 5.501 ( -17.512 -10.111 2.726) 20.404 6.192 ( 5.697 3.289 -1.559) 6.760 6.868 ( -3.058 -1.765 0.368) 3.550 9.083 ( -15.167 -8.757 0.629) 17.525 9.142 ( -2.957 -1.707 -4.287) 5.481 10.552 ( -24.448 -14.115 -18.489) 33.746 11.745 ( 11.428 6.598 4.989) 14.107 13.136 ( 0.259 0.150 8.325) 8.330 ======================= Grid point 326 (95/489) ======================= q-point: (-0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -17.380 -10.034 -3.475) 20.368 1.746 ( -16.418 -9.479 -1.850) 19.047 3.379 ( -26.809 -15.478 2.138) 31.031 4.152 ( -3.499 -2.020 -3.514) 5.355 5.083 ( -18.820 -10.866 2.953) 21.931 6.321 ( 5.731 3.309 -1.537) 6.794 6.805 ( -2.611 -1.508 1.703) 3.463 8.728 ( -15.158 -8.751 0.374) 17.506 8.984 ( -13.982 -8.072 -0.591) 16.156 9.958 ( -16.480 -9.515 -17.818) 26.069 12.024 ( 11.193 6.462 1.626) 13.027 13.177 ( 0.455 0.262 8.998) 9.014 ======================= Grid point 327 (96/489) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -18.715 -10.805 -2.929) 21.808 1.334 ( -18.186 -10.500 -1.968) 21.092 2.688 ( -32.976 -19.039 2.462) 38.157 4.065 ( -2.695 -1.556 -4.228) 5.250 4.667 ( -17.357 -10.021 3.208) 20.298 6.444 ( 5.179 2.990 -1.025) 6.067 6.759 ( -1.960 -1.132 2.758) 3.568 8.387 ( -33.276 -19.212 -5.813) 38.861 8.395 ( -13.169 -7.603 -0.026) 15.207 9.771 ( 1.989 1.148 -9.414) 9.690 12.271 ( 9.607 5.547 0.419) 11.101 13.217 ( 0.281 0.162 7.764) 7.771 ======================= Grid point 328 (97/489) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -17.559 -10.137 0.401) 20.279 0.894 ( -19.014 -10.978 -0.899) 21.974 1.874 ( -37.503 -21.653 3.843) 43.475 4.001 ( -1.445 -0.834 -4.279) 4.592 4.316 ( -13.356 -7.711 2.809) 15.676 6.551 ( 4.083 2.358 0.286) 4.724 6.731 ( -1.490 -0.860 3.154) 3.593 7.561 ( -32.963 -19.031 -7.276) 38.752 8.127 ( -9.570 -5.525 -0.445) 11.060 9.844 ( 4.965 2.866 -6.551) 8.705 12.469 ( 7.194 4.154 0.294) 8.312 13.239 ( -0.337 -0.194 4.005) 4.024 ======================= Grid point 331 (98/489) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -0.000 16.451 11.597) 20.128 0.544 ( -0.000 7.737 21.822) 23.153 1.135 ( -0.000 38.894 16.659) 42.312 3.922 ( 0.000 -0.634 -5.049) 5.089 4.076 ( 0.000 10.022 -1.209) 10.095 6.735 ( -0.000 1.977 2.390) 3.102 6.751 ( -0.000 -11.964 10.875) 16.168 6.880 ( 0.000 18.080 -0.956) 18.105 7.951 ( 0.000 5.648 -0.318) 5.657 9.506 ( 0.000 30.601 -35.988) 47.240 12.615 ( -0.000 -4.662 1.765) 4.985 13.125 ( 0.000 8.028 -7.706) 11.128 ======================= Grid point 332 (99/489) ======================= q-point: ( 0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 7.757 8.815 17.821) 21.342 0.901 ( 13.439 15.814 8.179) 22.307 1.728 ( 16.574 35.527 9.316) 40.294 3.967 ( 6.624 0.224 -4.347) 7.926 4.207 ( 2.382 13.677 -1.027) 13.921 6.619 ( -2.829 -4.533 3.046) 6.151 6.865 ( -6.513 13.893 -0.618) 15.356 7.212 ( 25.955 6.582 2.794) 26.922 8.138 ( 9.496 13.310 1.176) 16.392 9.705 ( 9.068 6.219 -15.753) 19.211 12.529 ( -3.960 -6.685 1.679) 7.949 13.105 ( -5.834 5.437 -7.653) 11.053 ======================= Grid point 333 (100/489) ======================= q-point: ( 0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 12.574 9.686 11.690) 19.713 1.328 ( 13.479 16.277 6.024) 21.976 2.422 ( 22.493 27.636 3.303) 35.785 4.089 ( 6.120 2.386 -1.647) 6.772 4.454 ( 10.149 14.823 -1.084) 17.997 6.531 ( -3.226 -4.966 2.651) 6.488 6.868 ( -11.010 20.926 -4.229) 24.021 7.791 ( 36.039 -5.941 1.885) 36.574 8.520 ( 11.315 22.150 2.204) 24.970 9.872 ( 10.550 2.344 -0.278) 10.811 12.358 ( -7.476 -8.042 1.171) 11.042 13.012 ( -5.957 3.978 -9.738) 12.089 ======================= Grid point 334 (101/489) ======================= q-point: ( 0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 14.309 9.205 6.478) 18.206 1.733 ( 11.631 16.516 4.176) 20.628 3.064 ( 22.529 19.996 -1.097) 30.143 4.206 ( 3.354 5.060 0.150) 6.072 4.835 ( 16.420 13.645 -0.051) 21.349 6.425 ( -4.108 -5.138 2.812) 7.154 6.887 ( -9.302 21.585 -5.338) 24.103 8.329 ( 32.069 -5.729 0.393) 32.579 8.904 ( 8.971 14.311 0.699) 16.905 10.186 ( 17.071 9.834 9.927) 22.061 12.118 ( -10.600 -8.686 0.513) 13.714 12.924 ( -3.389 2.712 -11.078) 11.897 ======================= Grid point 335 (102/489) ======================= q-point: ( 0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 13.525 7.556 2.373) 15.673 2.090 ( 9.054 15.761 2.611) 18.363 3.595 ( 19.982 13.367 -4.193) 24.404 4.311 ( 1.531 6.915 0.957) 7.147 5.270 ( 17.808 11.452 1.094) 21.200 6.307 ( -4.686 -4.992 3.117) 7.523 6.940 ( -7.162 21.132 -5.495) 22.979 8.808 ( 25.801 -0.143 0.763) 25.813 9.133 ( 7.456 4.530 2.158) 8.987 10.688 ( 20.518 13.556 8.641) 26.066 11.822 ( -13.393 -8.450 0.776) 15.855 12.879 ( 0.245 1.470 -10.092) 10.201 ======================= Grid point 336 (103/489) ======================= q-point: ( 0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 11.044 5.205 -0.719) 12.230 2.381 ( 6.047 14.052 1.480) 15.369 4.003 ( 16.575 7.876 -6.021) 19.313 4.405 ( 0.038 8.232 1.243) 8.326 5.672 ( 15.710 8.385 1.731) 17.892 6.185 ( -4.926 -4.613 3.500) 7.602 7.019 ( -5.843 20.380 -5.234) 21.837 9.203 ( 16.370 0.325 4.271) 16.921 9.346 ( 12.749 5.619 2.062) 14.084 11.126 ( 12.096 4.907 -8.096) 15.361 11.535 ( -9.734 -2.529 10.564) 14.586 12.890 ( 3.466 0.161 -6.949) 7.767 ======================= Grid point 337 (104/489) ======================= q-point: ( 0.47 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 7.821 2.693 -2.523) 8.648 2.593 ( 2.824 11.767 0.854) 12.131 4.292 ( 12.573 3.371 -6.307) 14.464 4.487 ( -0.960 9.108 0.758) 9.189 5.987 ( 11.563 4.929 1.774) 12.694 6.070 ( -4.684 -4.008 4.135) 7.423 7.102 ( -5.772 19.491 -4.911) 20.913 9.441 ( 12.695 -3.725 6.474) 14.730 9.684 ( 13.322 10.968 1.100) 17.291 10.956 ( -14.392 -7.571 -15.215) 22.270 11.687 ( 10.060 5.839 10.593) 15.732 12.943 ( 4.957 -1.265 -3.294) 6.085 ======================= Grid point 338 (105/489) ======================= q-point: ( 0.53 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 4.749 0.517 -2.885) 5.581 2.722 ( -0.586 9.359 0.620) 9.398 4.455 ( 4.777 1.902 -2.885) 5.896 4.569 ( 1.439 6.952 -2.724) 7.604 5.971 ( -3.687 -2.816 3.156) 5.611 6.189 ( 6.539 1.326 3.142) 7.375 7.168 ( -6.885 18.432 -4.648) 20.217 9.613 ( 10.514 -8.178 3.424) 13.753 10.022 ( 11.506 12.747 1.777) 17.264 10.549 ( -18.026 -4.247 -13.000) 22.626 11.904 ( 7.033 0.669 4.698) 8.485 13.002 ( 4.577 -2.674 -0.704) 5.347 ======================= Grid point 339 (106/489) ======================= q-point: (-0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 1.800 -1.327 -2.382) 3.267 2.765 ( -4.283 7.126 0.544) 8.332 4.498 ( -1.670 3.514 -0.060) 3.891 4.630 ( 1.367 1.271 -4.746) 5.100 5.915 ( -1.319 -1.108 2.527) 3.058 6.263 ( 1.018 -2.100 3.559) 4.256 7.196 ( -8.632 17.197 -4.311) 19.719 9.618 ( 2.809 -15.230 -3.749) 15.934 10.188 ( -17.951 4.557 -7.906) 20.137 10.370 ( 14.015 10.551 0.839) 17.563 11.966 ( 0.619 -4.464 2.451) 5.130 13.040 ( 3.508 -3.687 0.880) 5.165 ======================= Grid point 340 (107/489) ======================= q-point: (-0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -1.923 -3.301 -2.002) 4.313 2.718 ( -8.340 5.152 0.372) 9.810 4.478 ( -4.227 2.726 0.207) 5.034 4.593 ( -3.455 -2.092 -3.434) 5.302 5.924 ( 1.674 0.579 1.386) 2.249 6.206 ( -4.647 -5.336 3.666) 7.970 7.183 ( -10.311 16.127 -3.681) 19.492 9.412 ( -3.143 -16.097 -9.924) 19.170 9.932 ( -16.110 4.294 -1.711) 16.760 10.724 ( 14.450 9.874 -3.391) 17.827 11.851 ( -7.109 -8.364 2.470) 11.252 13.062 ( 2.909 -3.971 2.487) 5.515 ======================= Grid point 341 (108/489) ======================= q-point: (-0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -6.755 -5.537 -2.204) 9.008 2.579 ( -12.645 3.377 -0.048) 13.089 4.390 ( -6.690 -4.832 -0.178) 8.255 4.461 ( -8.392 1.801 -1.653) 8.741 5.964 ( -2.546 -2.461 2.215) 4.176 6.045 ( -3.618 -4.190 1.487) 5.732 7.141 ( -11.532 15.865 -2.624) 19.788 9.180 ( -2.008 -12.186 -9.640) 15.667 9.658 ( -17.244 -1.289 0.433) 17.298 10.994 ( 6.846 6.008 -13.794) 16.530 11.613 ( -8.903 -8.059 7.898) 14.373 13.086 ( 2.860 -3.542 4.437) 6.357 ======================= Grid point 342 (109/489) ======================= q-point: (-0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -11.820 -7.503 -2.602) 14.240 2.345 ( -16.814 1.742 -0.640) 16.916 4.119 ( -14.698 -10.018 0.444) 17.793 4.352 ( -7.838 3.926 -1.794) 8.948 5.695 ( -15.159 -10.168 3.440) 18.574 6.112 ( 5.684 1.778 -0.811) 6.010 7.088 ( -12.352 16.724 -1.246) 20.829 9.032 ( 0.336 -10.983 -5.654) 12.358 9.315 ( -16.522 -6.521 0.427) 17.767 10.803 ( -20.476 -4.582 -18.217) 27.787 11.628 ( 9.021 1.936 7.955) 12.182 13.124 ( 2.884 -2.730 6.046) 7.234 ======================= Grid point 343 (110/489) ======================= q-point: (-0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -16.027 -8.533 -2.494) 18.328 2.027 ( -20.293 0.327 -1.094) 20.325 3.687 ( -22.633 -11.517 1.181) 25.422 4.245 ( -7.507 3.295 -2.721) 8.638 5.305 ( -18.030 -10.921 3.092) 21.306 6.235 ( 6.405 1.894 -0.907) 6.740 7.042 ( -12.875 18.363 0.193) 22.428 8.780 ( -11.246 -21.919 -0.583) 24.643 9.076 ( -4.378 -3.523 -1.149) 5.735 10.250 ( -27.932 -2.227 -15.115) 31.838 11.877 ( 12.287 3.715 2.777) 13.133 13.171 ( 2.621 -2.034 6.415) 7.222 ======================= Grid point 344 (111/489) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -18.814 -8.078 -1.145) 20.506 1.644 ( -22.645 -0.598 -0.963) 22.674 3.108 ( -30.682 -11.729 1.801) 32.896 4.141 ( -6.607 2.980 -3.434) 8.020 4.889 ( -18.263 -9.723 2.789) 20.877 6.363 ( 6.365 1.749 -0.397) 6.613 7.012 ( -13.198 20.222 1.544) 24.197 8.279 ( -13.278 -32.321 -2.539) 35.035 8.882 ( -18.244 -1.292 -0.500) 18.296 9.831 ( -12.682 4.519 -9.561) 16.513 12.129 ( 11.723 3.138 0.831) 12.164 13.213 ( 1.969 -1.954 4.867) 5.602 ======================= Grid point 345 (112/489) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -19.540 -5.105 2.816) 20.391 1.230 ( -23.668 -0.447 0.404) 23.676 2.405 ( -37.829 -9.473 2.879) 39.103 4.055 ( -5.036 2.906 -3.474) 6.773 4.510 ( -16.199 -6.692 1.961) 17.636 6.485 ( 5.675 1.288 0.674) 5.858 6.993 ( -13.479 19.675 2.483) 23.978 7.666 ( -16.887 -31.251 -5.004) 35.873 8.474 ( -25.428 3.060 -0.102) 25.612 9.789 ( 1.774 4.520 -4.629) 6.708 12.349 ( 10.079 1.839 0.443) 10.255 13.227 ( 0.973 -2.936 0.840) 3.205 ======================= Grid point 349 (113/489) ======================= q-point: ( 0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -0.000 11.921 17.014) 20.775 0.972 ( -0.000 18.730 7.775) 20.280 2.018 ( -0.000 38.729 8.452) 39.640 3.889 ( 0.000 1.519 -5.781) 5.977 4.346 ( 0.000 16.944 -0.126) 16.944 6.612 ( -0.000 -7.944 4.599) 9.179 6.776 ( -0.000 0.572 0.936) 1.096 7.433 ( 0.000 35.769 -4.292) 36.026 8.132 ( -0.000 12.104 0.945) 12.141 9.625 ( 0.000 3.667 -12.264) 12.800 12.491 ( -0.000 -8.713 1.812) 8.900 13.202 ( 0.000 4.846 -5.646) 7.440 ======================= Grid point 350 (114/489) ======================= q-point: ( 0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 4.917 12.645 13.374) 19.051 1.298 ( 11.125 18.073 5.852) 22.015 2.490 ( 8.054 34.083 4.115) 35.263 3.964 ( 7.561 2.948 -4.632) 9.344 4.540 ( 1.493 19.226 0.728) 19.298 6.527 ( -1.828 -6.463 2.752) 7.258 7.012 ( 21.863 0.547 -0.658) 21.880 7.568 ( -15.257 28.676 -3.792) 32.702 8.493 ( 16.415 19.701 1.757) 25.704 9.686 ( 9.207 -0.123 -4.604) 10.294 12.370 ( -3.652 -9.905 1.624) 10.681 13.159 ( -6.958 4.507 -6.145) 10.319 ======================= Grid point 351 (115/489) ======================= q-point: ( 0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 8.942 11.543 8.419) 16.854 1.715 ( 12.819 18.090 4.077) 22.543 2.984 ( 12.337 25.962 -0.417) 28.747 4.144 ( 8.987 4.866 -2.684) 10.567 4.805 ( 6.160 19.316 1.938) 20.367 6.434 ( -2.542 -6.339 2.659) 7.329 7.350 ( -4.856 25.708 -5.382) 26.710 7.697 ( 21.838 0.206 -1.143) 21.869 8.904 ( 8.114 13.313 1.735) 15.687 9.964 ( 19.998 6.418 2.774) 21.185 12.182 ( -6.869 -9.978 1.678) 12.229 13.037 ( -8.432 4.098 -7.600) 12.069 ======================= Grid point 352 (116/489) ======================= q-point: ( 0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 10.714 9.216 3.720) 14.614 2.117 ( 10.218 18.559 2.613) 21.346 3.427 ( 14.118 17.212 -3.812) 22.585 4.334 ( 5.855 7.879 -0.884) 9.856 5.150 ( 11.163 16.336 2.675) 19.965 6.331 ( -3.247 -6.068 2.942) 7.484 7.404 ( -15.778 31.980 -5.864) 36.139 8.222 ( 36.276 -4.235 -1.573) 36.556 9.085 ( 4.104 3.737 3.349) 6.483 10.464 ( 22.622 11.320 3.211) 25.499 11.949 ( -9.724 -8.464 2.994) 13.235 12.914 ( -5.885 2.708 -8.162) 10.421 ======================= Grid point 353 (117/489) ======================= q-point: ( 0.41 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 10.287 6.279 -0.060) 12.052 2.455 ( 6.145 18.285 1.484) 19.346 3.793 ( 14.156 9.686 -5.854) 18.124 4.498 ( 2.135 10.882 0.426) 11.097 5.517 ( 13.043 11.511 2.764) 17.614 6.222 ( -3.729 -5.518 3.281) 7.424 7.442 ( -13.749 30.825 -5.456) 34.190 8.797 ( 31.270 -0.723 -0.466) 31.282 9.209 ( 7.032 1.409 4.188) 8.305 10.908 ( 16.064 5.521 -5.754) 17.935 11.723 ( -9.983 -3.232 8.546) 13.533 12.839 ( -1.204 0.317 -6.711) 6.826 ======================= Grid point 354 (118/489) ======================= q-point: ( 0.47 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 8.457 3.288 -2.538) 9.422 2.708 ( 2.002 16.951 0.836) 17.089 4.077 ( 13.003 4.200 -6.707) 15.222 4.629 ( -1.151 12.686 0.981) 12.776 5.839 ( 11.941 6.393 2.677) 13.807 6.114 ( -3.934 -4.819 3.591) 7.183 7.504 ( -12.235 29.917 -5.081) 32.719 9.204 ( 14.803 -3.556 6.226) 16.448 9.470 ( 19.094 6.278 -1.867) 20.186 10.992 ( -2.356 -4.363 -16.048) 16.796 11.687 ( 0.639 4.373 13.735) 14.428 12.830 ( 3.307 -2.608 -3.704) 5.609 ======================= Grid point 355 (119/489) ======================= q-point: ( 0.53 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 6.168 0.772 -3.455) 7.112 2.873 ( -1.712 14.976 0.652) 15.088 4.285 ( 10.865 0.522 -6.556) 12.700 4.718 ( -3.908 12.935 0.744) 13.533 6.013 ( -3.259 -3.096 2.116) 4.968 6.077 ( 8.543 0.966 4.429) 9.671 7.572 ( -12.347 29.205 -5.014) 32.102 9.372 ( 9.605 -7.553 5.304) 13.320 9.870 ( 17.317 7.784 -3.359) 19.281 10.760 ( -12.151 -0.186 -13.126) 17.888 11.817 ( 4.721 0.399 7.993) 9.291 12.864 ( 5.664 -5.265 -0.912) 7.787 ======================= Grid point 356 (120/489) ======================= q-point: ( 0.59 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 3.826 -1.089 -3.140) 5.068 2.956 ( -5.187 12.908 0.685) 13.928 4.418 ( 7.598 -2.184 -5.534) 9.650 4.756 ( -6.226 11.887 0.019) 13.419 5.941 ( -2.298 -2.179 2.665) 4.140 6.203 ( 4.595 -2.491 4.016) 6.592 7.616 ( -13.749 27.930 -5.083) 31.543 9.408 ( 4.284 -12.199 -0.857) 12.958 10.171 ( 11.294 2.251 -3.931) 12.169 10.554 ( -11.848 12.278 -6.995) 18.441 11.885 ( 3.210 -5.655 4.284) 7.787 12.904 ( 5.931 -7.011 0.698) 9.209 ======================= Grid point 357 (121/489) ======================= q-point: (-0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 0.832 -2.613 -2.500) 3.711 2.957 ( -8.833 10.986 0.631) 14.111 4.462 ( 3.221 -4.636 -3.920) 6.873 4.739 ( -8.316 10.274 -0.627) 13.233 5.915 ( 0.089 -0.594 2.142) 2.224 6.212 ( -0.644 -5.623 4.091) 6.984 7.617 ( -15.107 25.962 -4.796) 30.418 9.278 ( -2.070 -12.514 -6.826) 14.405 10.187 ( -7.746 -1.145 -1.842) 8.044 10.635 ( 5.114 15.639 -5.096) 17.225 11.840 ( -1.103 -9.520 3.133) 10.083 12.935 ( 5.679 -7.487 1.777) 9.564 ======================= Grid point 358 (122/489) ======================= q-point: (-0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -3.511 -4.049 -2.217) 5.799 2.871 ( -12.869 9.081 0.320) 15.753 4.404 ( -2.101 -6.943 -2.299) 7.609 4.672 ( -9.952 8.845 -0.918) 13.346 5.945 ( 2.358 0.399 1.604) 2.880 6.097 ( -6.103 -7.782 3.529) 10.501 7.587 ( -15.448 24.713 -3.742) 29.383 9.081 ( -3.886 -9.087 -8.309) 12.912 9.941 ( -16.532 -4.086 0.702) 17.044 10.884 ( 8.918 11.091 -9.953) 17.367 11.684 ( -6.282 -10.181 5.129) 13.016 12.971 ( 5.763 -6.693 2.905) 9.298 ======================= Grid point 359 (123/489) ======================= q-point: (-0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -8.802 -5.033 -2.139) 10.363 2.690 ( -17.070 6.918 -0.168) 18.419 4.229 ( -8.538 -8.254 -1.124) 11.929 4.569 ( -10.645 7.349 -1.177) 12.989 5.851 ( -11.981 -8.840 3.951) 15.404 6.031 ( 4.629 0.674 -0.070) 4.679 7.560 ( -15.415 25.637 -2.096) 29.988 8.916 ( -2.430 -7.831 -6.559) 10.500 9.549 ( -19.361 -10.793 1.181) 22.198 10.986 ( -6.192 5.832 -16.965) 18.978 11.549 ( 1.304 -5.178 10.069) 11.397 13.024 ( 5.778 -5.163 3.667) 8.572 ======================= Grid point 360 (124/489) ======================= q-point: (-0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -13.860 -4.878 -1.588) 14.779 2.415 ( -20.775 4.467 -0.499) 21.255 3.930 ( -16.040 -7.921 -0.445) 17.894 4.444 ( -10.429 5.633 -1.542) 11.952 5.519 ( -16.558 -8.809 3.055) 19.002 6.137 ( 6.133 1.023 -0.043) 6.218 7.552 ( -16.071 28.318 -0.624) 32.566 8.716 ( -8.026 -19.098 -3.241) 20.968 9.145 ( -11.081 -7.939 0.023) 13.631 10.678 ( -24.120 2.859 -11.145) 26.724 11.697 ( 11.839 0.312 4.488) 12.665 13.089 ( 5.209 -3.746 3.250) 7.192 ======================= Grid point 361 (125/489) ======================= q-point: (-0.12 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -17.685 -2.989 0.097) 17.936 2.060 ( -23.260 2.178 -0.215) 23.363 3.507 ( -24.257 -5.713 -0.036) 24.921 4.312 ( -9.391 3.879 -1.722) 10.305 5.138 ( -18.684 -6.427 2.233) 19.884 6.261 ( 6.750 0.922 0.410) 6.825 7.563 ( -17.342 31.321 0.399) 35.803 8.196 ( -16.099 -32.679 -2.862) 36.542 9.021 ( -2.965 -1.148 0.236) 3.188 10.227 ( -26.483 5.288 -4.613) 27.397 11.935 ( 13.034 0.661 1.279) 13.113 13.144 ( 3.923 -3.166 1.033) 5.146 ======================= Grid point 362 (126/489) ======================= q-point: (-0.06 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -19.398 1.178 3.462) 19.739 1.660 ( -24.032 1.002 1.174) 24.081 2.977 ( -32.101 -1.122 0.509) 32.125 4.189 ( -7.481 2.252 -1.201) 7.905 4.773 ( -18.508 -1.885 0.857) 18.623 6.389 ( 6.616 0.456 1.255) 6.749 7.446 ( -21.394 -8.927 -2.844) 23.355 7.706 ( -11.137 9.521 0.084) 14.652 8.878 ( -15.625 0.272 0.642) 15.641 9.915 ( -13.088 5.634 1.379) 14.316 12.162 ( 12.211 -0.390 0.380) 12.223 13.160 ( 2.032 -3.706 -3.250) 5.332 ======================= Grid point 367 (127/489) ======================= q-point: ( 0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -0.000 13.809 11.676) 18.084 1.401 ( -0.000 18.774 5.776) 19.642 2.786 ( -0.000 33.137 1.918) 33.192 3.912 ( 0.000 4.532 -4.513) 6.396 4.744 ( -0.000 21.767 1.203) 21.800 6.482 ( -0.000 -7.491 2.910) 8.037 6.768 ( 0.000 -0.902 -2.168) 2.348 8.184 ( 0.000 40.255 -5.414) 40.618 8.441 ( -0.000 16.858 2.541) 17.048 9.565 ( 0.000 -3.356 -2.596) 4.243 12.301 ( -0.000 -10.882 1.608) 11.000 13.244 ( 0.000 3.130 -5.193) 6.064 ======================= Grid point 368 (128/489) ======================= q-point: ( 0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 2.854 13.040 8.340) 15.740 1.701 ( 9.916 17.972 4.473) 21.008 3.129 ( 3.269 27.826 -1.579) 28.061 4.025 ( 7.859 5.824 -3.155) 10.278 4.979 ( 0.549 22.808 2.345) 22.935 6.408 ( -1.143 -7.022 2.709) 7.612 6.971 ( 24.315 -1.964 -3.678) 24.670 8.175 ( -24.183 31.961 -3.368) 40.220 8.894 ( 11.092 16.842 1.385) 20.214 9.676 ( 16.994 2.078 0.309) 17.124 12.170 ( -3.090 -10.545 1.839) 11.141 13.192 ( -6.524 2.824 -5.594) 9.046 ======================= Grid point 369 (129/489) ======================= q-point: ( 0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 5.595 10.819 4.140) 12.864 2.102 ( 13.014 17.382 2.999) 21.920 3.438 ( 5.286 20.537 -4.448) 21.668 4.251 ( 10.647 7.259 -1.708) 12.998 5.241 ( 2.511 21.383 3.438) 21.803 6.322 ( -1.957 -6.512 2.948) 7.411 7.485 ( 36.570 -1.539 -4.970) 36.938 8.080 ( -21.235 30.847 -3.356) 37.599 9.084 ( 1.868 3.797 3.956) 5.793 10.152 ( 25.278 10.019 -0.552) 27.197 12.005 ( -5.392 -8.519 3.268) 10.599 13.057 ( -8.999 2.583 -6.032) 11.137 ======================= Grid point 370 (130/489) ======================= q-point: ( 0.41 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 7.114 7.764 0.303) 10.535 2.499 ( 10.828 17.333 1.728) 20.510 3.695 ( 7.081 12.876 -6.027) 15.883 4.508 ( 8.959 9.662 -0.370) 13.182 5.512 ( 4.757 16.742 3.579) 17.769 6.231 ( -2.616 -5.749 3.197) 7.080 8.028 ( -16.636 32.135 -5.617) 36.619 8.141 ( 38.445 -2.343 -2.378) 38.590 9.157 ( 2.604 1.555 5.185) 6.007 10.629 ( 19.638 5.271 -5.721) 21.123 11.854 ( -5.951 -4.011 7.113) 10.104 12.907 ( -7.628 1.274 -5.578) 9.536 ======================= Grid point 371 (131/489) ======================= q-point: ( 0.47 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 7.055 4.581 -2.408) 8.750 2.826 ( 5.890 17.227 0.867) 18.227 3.907 ( 8.802 6.204 -6.496) 12.576 4.741 ( 4.544 12.457 0.598) 13.273 5.759 ( 6.538 9.921 3.237) 12.315 6.138 ( -3.145 -4.848 3.215) 6.613 8.041 ( -14.672 30.064 -3.392) 33.624 8.778 ( 33.257 -0.338 -1.837) 33.309 9.268 ( 7.343 2.375 2.839) 8.223 10.857 ( 7.811 -1.398 -12.533) 14.834 11.796 ( -2.851 1.421 11.500) 11.933 12.789 ( -3.462 -1.661 -3.837) 5.428 ======================= Grid point 372 (132/489) ======================= q-point: ( 0.53 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 6.013 1.862 -3.617) 7.260 3.055 ( 0.561 16.529 0.551) 16.548 4.083 ( 9.732 1.173 -6.288) 11.646 4.913 ( -0.848 14.482 0.851) 14.532 5.958 ( 7.284 2.983 3.243) 8.513 6.048 ( -3.347 -3.904 2.935) 5.921 8.093 ( -13.042 29.996 -3.690) 32.916 9.150 ( 11.702 -5.688 4.452) 13.751 9.566 ( 21.702 5.949 -5.167) 23.088 10.839 ( -1.842 0.973 -12.855) 13.023 11.826 ( -0.809 0.533 10.017) 10.064 12.728 ( 1.714 -5.715 -1.330) 6.113 ======================= Grid point 373 (133/489) ======================= q-point: ( 0.59 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 4.591 -0.079 -3.473) 5.757 3.187 ( -3.909 15.217 0.622) 15.724 4.222 ( 9.106 -2.437 -5.667) 10.999 5.007 ( -5.702 14.955 0.492) 16.013 5.969 ( -2.739 -2.729 2.433) 4.569 6.092 ( 6.226 -2.564 3.723) 7.694 8.144 ( -14.068 29.068 -4.873) 32.659 9.218 ( 5.223 -9.434 2.534) 11.077 9.952 ( 16.068 4.790 -6.871) 18.120 10.793 ( -4.613 10.397 -8.324) 14.095 11.818 ( -0.892 -5.240 6.483) 8.383 12.717 ( 5.487 -9.065 0.647) 10.616 ======================= Grid point 374 (134/489) ======================= q-point: (-0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 2.636 -1.354 -2.713) 4.017 3.232 ( -7.709 13.485 0.687) 15.549 4.306 ( 6.731 -5.009 -4.628) 9.582 5.021 ( -9.311 13.742 -0.036) 16.599 5.921 ( -1.066 -1.434 2.004) 2.685 6.145 ( 3.095 -6.046 3.961) 7.862 8.138 ( -15.595 24.705 -5.541) 29.736 9.187 ( 0.366 -6.111 -1.350) 6.269 10.145 ( 5.892 -0.172 -5.987) 8.402 10.828 ( -5.281 16.956 -4.594) 18.344 11.748 ( 0.210 -10.485 4.228) 11.308 12.735 ( 7.225 -10.228 1.624) 12.627 ======================= Grid point 375 (135/489) ======================= q-point: (-0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -0.560 -2.195 -2.096) 3.086 3.192 ( -11.488 11.196 0.480) 16.049 4.318 ( 2.744 -6.409 -3.313) 7.719 4.963 ( -11.508 11.253 -0.374) 16.100 5.919 ( 1.161 -0.348 1.540) 1.960 6.102 ( -1.703 -7.637 3.661) 8.639 8.075 ( -14.342 19.569 -4.359) 24.651 9.106 ( -5.948 1.873 -4.323) 7.588 10.091 ( -6.818 -7.311 -2.540) 10.315 10.912 ( -1.172 15.446 -6.138) 16.663 11.653 ( -0.597 -10.896 4.159) 11.678 12.778 ( 8.058 -8.967 2.083) 12.235 ======================= Grid point 376 (136/489) ======================= q-point: (-0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -5.119 -2.419 -1.725) 5.918 3.055 ( -15.482 7.974 0.075) 17.415 4.246 ( -2.626 -6.132 -2.245) 7.038 4.848 ( -12.406 8.022 -0.459) 14.781 5.954 ( -5.399 -5.365 4.359) 8.771 5.967 ( 1.280 -1.926 -0.320) 2.335 8.027 ( -10.992 17.955 -1.684) 21.120 8.985 ( -10.598 5.764 -5.418) 13.224 9.752 ( -17.386 -14.402 -0.227) 22.578 11.043 ( 2.112 12.165 -11.186) 16.660 11.535 ( -2.988 -8.943 7.827) 12.255 12.852 ( 8.254 -6.244 1.998) 10.541 ======================= Grid point 377 (137/489) ======================= q-point: (-0.18 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -10.146 -1.501 -1.085) 10.314 2.812 ( -19.205 3.976 -0.168) 19.613 4.085 ( -9.188 -3.945 -1.819) 10.163 4.694 ( -12.206 4.481 -0.361) 13.008 5.718 ( -13.058 -5.522 2.317) 14.365 6.045 ( 5.167 0.352 0.733) 5.230 8.042 ( -8.517 18.326 0.771) 20.223 8.773 ( -16.523 -2.229 -4.917) 17.383 9.288 ( -16.001 -11.648 0.285) 19.793 11.031 ( -13.363 8.215 -10.111) 18.662 11.518 ( 7.740 -4.805 7.737) 11.953 12.946 ( 7.405 -3.681 0.877) 8.316 ======================= Grid point 378 (138/489) ======================= q-point: (-0.12 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -14.439 0.910 0.350) 14.472 2.472 ( -21.825 0.399 0.149) 21.830 3.831 ( -16.667 -0.255 -1.866) 16.773 4.516 ( -11.057 1.074 -0.087) 11.109 5.421 ( -17.112 -1.584 1.410) 17.243 6.154 ( 6.397 0.259 1.130) 6.501 8.044 ( -7.765 -3.220 0.740) 8.439 8.310 ( -26.284 4.801 -3.398) 26.934 9.070 ( -4.711 0.260 0.829) 4.791 10.733 ( -24.403 6.068 -1.026) 25.167 11.701 ( 13.332 -2.188 1.973) 13.653 13.030 ( 5.499 -2.309 -1.696) 6.201 ======================= Grid point 379 (139/489) ======================= q-point: (-0.06 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -16.974 4.693 2.695) 17.816 2.076 ( -22.741 -1.047 1.265) 22.801 3.487 ( -24.261 4.484 -1.836) 24.740 4.338 ( -8.959 -1.247 0.563) 9.063 5.116 ( -18.931 3.697 0.292) 19.290 6.277 ( 6.883 -0.191 1.821) 7.122 7.514 ( -18.757 -30.188 -3.984) 35.764 8.233 ( -15.293 32.453 0.603) 35.881 9.035 ( -3.522 1.803 1.451) 4.215 10.351 ( -25.669 6.007 6.381) 27.124 11.920 ( 13.692 -2.643 0.054) 13.945 13.069 ( 2.826 -2.238 -5.779) 6.811 ======================= Grid point 385 (140/489) ======================= q-point: ( 0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -0.000 12.654 6.511) 14.231 1.804 ( -0.000 17.515 4.209) 18.013 3.366 ( 0.000 24.940 -3.926) 25.247 4.007 ( 0.000 7.137 -2.175) 7.461 5.226 ( -0.000 24.187 2.522) 24.319 6.356 ( -0.000 -6.862 2.904) 7.451 6.718 ( 0.000 -1.354 -4.735) 4.925 8.827 ( -0.000 18.818 3.190) 19.086 8.892 ( 0.000 30.342 -4.466) 30.669 9.495 ( -0.000 -0.915 0.645) 1.119 12.100 ( -0.000 -9.655 2.003) 9.860 13.253 ( 0.000 1.529 -5.240) 5.459 ======================= Grid point 386 (141/489) ======================= q-point: ( 0.35 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 1.301 11.033 3.410) 11.621 2.076 ( 9.288 16.205 3.235) 18.956 3.583 ( 0.673 19.981 -5.915) 20.849 4.150 ( 7.788 7.840 -0.959) 11.092 5.472 ( -0.685 23.379 2.984) 23.579 6.293 ( -0.921 -6.163 3.250) 7.028 6.900 ( 23.485 -1.568 -5.518) 24.175 8.754 ( -21.795 25.475 -1.124) 33.545 9.125 ( 0.248 4.877 4.138) 6.401 9.814 ( 23.781 11.643 -3.019) 26.650 12.001 ( -2.237 -7.091 2.969) 8.006 13.193 ( -5.828 1.188 -5.204) 7.903 ======================= Grid point 387 (142/489) ======================= q-point: ( 0.41 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 2.974 8.579 0.116) 9.081 2.447 ( 13.321 14.795 2.076) 20.016 3.748 ( 1.045 14.411 -6.726) 15.938 4.406 ( 11.664 8.467 0.020) 14.413 5.687 ( -1.028 19.721 2.969) 19.969 6.225 ( -1.753 -5.000 3.580) 6.395 7.413 ( 37.483 -1.270 -5.440) 37.897 8.624 ( -18.760 20.970 -0.287) 28.138 9.191 ( -0.231 6.757 3.890) 7.801 10.303 ( 21.336 6.323 -5.650) 22.959 11.914 ( -3.083 -3.146 5.206) 6.819 13.054 ( -8.842 0.971 -4.714) 10.067 ======================= Grid point 388 (143/489) ======================= q-point: ( 0.47 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 4.184 5.752 -2.319) 7.482 2.826 ( 12.279 13.891 1.090) 18.572 3.867 ( 2.024 8.879 -6.479) 11.177 4.707 ( 11.632 9.542 0.688) 15.061 5.846 ( -0.980 13.169 2.521) 13.444 6.157 ( -2.721 -3.259 3.493) 5.498 8.090 ( 41.234 -0.434 -3.656) 41.399 8.540 ( -12.983 18.330 -0.057) 22.462 9.274 ( -0.767 8.947 1.616) 9.125 10.620 ( 14.072 0.582 -8.806) 16.610 11.877 ( -2.050 -0.034 7.918) 8.180 12.885 ( -9.019 -0.178 -3.559) 9.698 ======================= Grid point 389 (144/489) ======================= q-point: ( 0.53 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 4.466 3.145 -3.427) 6.449 3.146 ( 7.704 13.736 0.548) 15.759 3.959 ( 3.948 3.478 -5.685) 7.746 4.992 ( 8.067 11.428 0.914) 14.018 5.938 ( 0.391 4.450 2.744) 5.242 6.089 ( -3.836 -1.060 2.518) 4.709 8.535 ( -8.110 17.647 2.495) 19.581 8.753 ( 32.031 -0.189 -4.007) 32.281 9.366 ( 3.819 7.546 -2.134) 8.722 10.772 ( 6.591 2.745 -10.028) 12.310 11.880 ( -1.187 -1.100 8.795) 8.942 12.719 ( -6.685 -3.093 -1.921) 7.612 ======================= Grid point 390 (145/489) ======================= q-point: ( 0.59 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 4.117 1.186 -3.289) 5.401 3.369 ( 1.450 14.024 0.535) 14.109 4.039 ( 6.283 -1.566 -4.846) 8.088 5.209 ( 1.392 13.874 0.554) 13.955 5.972 ( 1.431 -3.876 4.217) 5.904 6.028 ( -2.588 0.283 0.688) 2.693 8.591 ( -8.195 19.911 -2.881) 21.723 9.047 ( 7.409 -6.520 3.618) 10.512 9.659 ( 20.379 8.331 -7.294) 23.193 10.875 ( 2.423 9.898 -8.386) 13.197 11.845 ( -3.359 -4.882 7.421) 9.497 12.585 ( -1.687 -7.633 -0.087) 7.817 ======================= Grid point 391 (146/489) ======================= q-point: ( 0.65 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 3.278 -0.017 -2.488) 4.115 3.483 ( -4.510 13.408 0.686) 14.163 4.111 ( 7.476 -4.983 -3.990) 9.831 5.312 ( -6.387 14.682 -0.077) 16.011 5.938 ( -1.859 -1.916 2.061) 3.372 6.024 ( 3.843 -6.461 2.687) 7.983 8.570 ( -12.903 14.308 -6.208) 20.242 9.107 ( 5.562 -1.933 4.803) 7.599 10.011 ( 11.116 7.389 -8.474) 15.811 11.009 ( 1.303 14.295 -4.740) 15.116 11.712 ( -5.908 -8.874 5.073) 11.807 12.517 ( 4.611 -10.998 1.399) 12.008 ======================= Grid point 392 (147/489) ======================= q-point: (-0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 1.515 -0.560 -1.731) 2.367 3.486 ( -9.172 10.489 0.507) 13.942 4.166 ( 6.180 -5.436 -2.978) 8.753 5.283 ( -11.676 11.509 -0.256) 16.397 5.909 ( -0.254 -0.871 0.894) 1.273 6.026 ( 2.973 -7.734 3.144) 8.862 8.423 ( -12.595 7.168 -3.664) 14.948 9.225 ( 1.568 8.193 0.827) 8.382 10.096 ( -2.974 0.781 -7.525) 8.129 11.130 ( -4.397 14.621 -2.249) 15.433 11.548 ( -0.922 -11.242 3.383) 11.776 12.536 ( 8.872 -9.803 1.759) 13.338 ======================= Grid point 393 (148/489) ======================= q-point: (-0.24 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -1.597 -0.389 -1.278) 2.082 3.375 ( -12.952 5.416 0.066) 14.039 4.191 ( 2.406 -3.057 -2.194) 4.466 5.147 ( -13.476 5.932 0.107) 14.724 5.918 ( 1.784 -0.661 0.015) 1.902 5.984 ( -1.621 -5.112 2.813) 6.056 8.291 ( -8.494 5.206 0.461) 9.973 9.283 ( -7.711 12.786 -3.371) 15.307 9.876 ( -14.170 -8.956 -3.898) 17.210 11.143 ( -4.453 10.223 -4.766) 12.126 11.492 ( 1.575 -7.542 5.231) 9.313 12.634 ( 10.159 -5.347 1.047) 11.528 ======================= Grid point 394 (149/489) ======================= q-point: (-0.18 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -5.708 0.777 -0.824) 5.819 3.145 ( -16.304 -0.044 -0.184) 16.305 4.167 ( -3.134 0.719 -2.180) 3.884 4.945 ( -13.264 0.518 0.636) 13.289 5.867 ( -7.105 -1.789 0.383) 7.336 5.973 ( 3.317 -0.112 1.526) 3.653 8.226 ( -4.826 1.315 3.558) 6.138 9.141 ( -17.762 3.226 -4.883) 18.701 9.493 ( -18.044 -0.996 -1.481) 18.132 11.195 ( 1.271 8.876 -9.431) 13.013 11.436 ( -2.621 -6.871 10.287) 12.645 12.774 ( 9.096 -1.372 -0.456) 9.210 ======================= Grid point 395 (150/489) ======================= q-point: (-0.12 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -9.844 3.041 0.049) 10.303 2.814 ( -18.896 -3.719 0.071) 19.259 4.073 ( -9.683 4.470 -2.844) 11.037 4.710 ( -12.051 -3.331 1.066) 12.549 5.695 ( -12.782 2.583 0.267) 13.043 6.054 ( 5.373 -0.289 1.521) 5.592 8.054 ( -10.567 -18.347 1.380) 21.217 8.823 ( -16.691 9.186 -0.096) 19.052 9.267 ( -14.514 10.111 -1.359) 17.741 11.159 ( -15.530 8.667 -2.331) 17.937 11.450 ( 10.960 -6.781 5.246) 13.915 12.905 ( 6.605 0.558 -2.864) 7.220 ======================= Grid point 396 (151/489) ======================= q-point: (-0.06 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -13.024 5.994 1.405) 14.406 2.430 ( -20.066 -4.090 0.869) 20.497 3.896 ( -16.463 7.839 -3.455) 18.559 4.477 ( -9.986 -4.656 1.393) 11.106 5.485 ( -16.430 6.881 0.021) 17.812 6.161 ( 6.530 -0.748 2.153) 6.917 7.532 ( -17.848 -27.092 -2.647) 32.550 8.776 ( -11.589 22.486 2.144) 25.388 9.155 ( -8.091 7.005 1.157) 10.764 10.890 ( -23.892 7.421 7.034) 25.988 11.633 ( 14.531 -5.269 -0.407) 15.462 12.984 ( 3.326 0.719 -6.266) 7.131 ======================= Grid point 403 (152/489) ======================= q-point: ( 0.35 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -0.000 9.920 1.719) 10.068 2.159 ( -0.000 14.984 2.771) 15.238 3.744 ( 0.000 16.844 -7.067) 18.267 4.159 ( 0.000 8.352 0.133) 8.354 5.726 ( -0.000 22.661 2.113) 22.759 6.257 ( -0.000 -4.985 3.838) 6.291 6.654 ( 0.000 -1.060 -5.790) 5.886 9.170 ( -0.000 -2.422 7.705) 8.076 9.225 ( -0.000 18.079 2.857) 18.303 9.671 ( 0.000 19.443 -9.791) 21.770 11.973 ( -0.000 -3.971 3.158) 5.074 13.233 ( 0.000 0.219 -4.945) 4.950 ======================= Grid point 404 (153/489) ======================= q-point: ( 0.41 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 0.211 8.187 -0.546) 8.208 2.392 ( 8.835 13.093 2.006) 15.922 3.865 ( -0.589 13.064 -7.158) 14.908 4.315 ( 7.647 8.199 0.888) 11.246 5.921 ( -2.023 17.597 0.902) 17.736 6.226 ( -1.079 -1.787 4.780) 5.216 6.836 ( 23.283 -0.680 -5.651) 23.968 9.025 ( -12.551 -1.767 8.266) 15.132 9.359 ( -3.447 18.880 -0.212) 19.193 10.009 ( 17.137 9.837 -7.662) 21.194 11.951 ( -1.487 -0.154 3.940) 4.214 13.170 ( -5.175 -0.009 -4.398) 6.791 ======================= Grid point 405 (154/489) ======================= q-point: ( 0.47 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 1.152 6.121 -2.289) 6.635 2.720 ( 13.431 10.998 1.204) 17.401 3.938 ( -1.153 9.362 -6.320) 11.354 4.578 ( 12.212 7.655 1.185) 14.461 6.006 ( -2.576 7.127 0.274) 7.583 6.222 ( -3.392 4.948 4.647) 7.589 7.364 ( 37.966 0.087 -4.788) 38.266 8.841 ( -9.978 0.043 7.611) 12.550 9.477 ( -4.917 18.602 -2.656) 19.424 10.334 ( 16.231 2.040 -6.293) 17.527 11.944 ( -2.347 1.859 4.852) 5.702 13.033 ( -8.547 -0.116 -3.355) 9.183 ======================= Grid point 406 (155/489) ======================= q-point: ( 0.53 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 2.152 3.998 -2.924) 5.401 3.068 ( 13.734 9.361 0.589) 16.632 3.972 ( -1.290 5.760 -4.941) 7.698 4.887 ( 13.701 7.358 1.153) 15.594 5.998 ( -2.217 0.287 1.106) 2.494 6.215 ( -6.394 6.847 2.680) 9.744 8.069 ( 41.940 0.804 -3.592) 42.101 8.746 ( -4.452 1.484 6.643) 8.134 9.524 ( -7.239 14.286 -4.474) 16.629 10.597 ( 13.752 3.648 -5.904) 15.404 11.928 ( -2.982 -0.276 5.490) 6.254 12.852 ( -10.270 -0.886 -2.085) 10.516 ======================= Grid point 407 (156/489) ======================= q-point: ( 0.59 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 2.707 2.210 -2.554) 4.329 3.379 ( 10.946 8.875 0.383) 14.097 3.975 ( -0.837 1.703 -3.593) 4.064 5.198 ( 12.164 8.017 0.827) 14.592 5.957 ( -1.745 -2.215 1.936) 3.421 6.147 ( -8.125 3.583 0.959) 8.931 8.707 ( 22.720 1.584 -10.645) 25.140 8.778 ( 7.517 1.324 13.111) 15.171 9.531 ( -0.320 10.236 -4.965) 11.381 10.855 ( 9.720 10.867 -6.344) 15.900 11.862 ( -3.427 -5.916 5.972) 9.078 12.646 ( -10.399 -2.889 -0.952) 10.835 ======================= Grid point 408 (157/489) ======================= q-point: ( 0.65 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 2.834 1.031 -1.693) 3.459 3.622 ( 4.955 10.465 0.764) 11.604 3.956 ( 1.515 -3.704 -2.832) 4.902 5.462 ( 6.447 10.434 -0.007) 12.265 5.911 ( -0.580 -4.667 2.849) 5.499 6.022 ( -7.214 -0.853 -0.165) 7.266 8.801 ( -2.872 5.287 -7.074) 9.287 8.990 ( 6.646 -3.045 7.828) 10.711 9.808 ( 18.648 9.942 -4.331) 21.572 11.091 ( 3.768 15.624 -6.127) 17.200 11.734 ( -3.734 -10.801 5.811) 12.821 12.440 ( -6.937 -6.038 0.067) 9.197 ======================= Grid point 409 (158/489) ======================= q-point: (-0.29 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 2.376 0.555 -0.936) 2.613 3.722 ( -6.410 8.640 0.780) 10.786 3.977 ( 8.307 -5.023 -2.048) 9.921 5.580 ( -7.903 11.411 -0.609) 13.894 5.872 ( 4.750 -9.541 1.955) 10.836 5.923 ( -2.172 -0.716 0.450) 2.331 8.675 ( -11.811 3.095 -1.331) 12.282 9.149 ( 10.656 -0.056 0.663) 10.677 10.138 ( 6.027 8.633 -4.117) 11.306 11.245 ( 1.464 9.867 -1.776) 10.132 11.562 ( -7.098 -7.757 2.446) 10.795 12.331 ( 3.054 -6.853 0.951) 7.562 ======================= Grid point 410 (159/489) ======================= q-point: (-0.24 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 0.914 0.810 -0.578) 1.351 3.606 ( -10.379 -0.435 -0.105) 10.389 4.096 ( 6.479 1.551 -0.975) 6.733 5.425 ( -13.928 0.541 0.544) 13.949 5.884 ( 1.458 -1.185 -1.730) 2.553 5.938 ( 3.182 -1.145 2.378) 4.134 8.503 ( -11.159 2.921 3.746) 12.128 9.305 ( 7.559 -2.561 -4.933) 9.382 10.118 ( -13.025 5.133 -2.449) 14.213 11.343 ( -9.730 4.101 -1.560) 10.674 11.377 ( 5.046 -4.688 3.348) 7.658 12.418 ( 10.087 -1.232 0.306) 10.167 ======================= Grid point 411 (160/489) ======================= q-point: (-0.18 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( -1.679 1.869 -0.467) 2.555 3.369 ( -12.799 -5.752 -0.380) 14.037 4.202 ( 1.712 5.301 -1.250) 5.709 5.159 ( -13.397 -5.461 1.139) 14.512 5.898 ( 1.332 0.093 -1.087) 1.722 5.972 ( -0.733 1.887 1.153) 2.330 8.359 ( -9.493 -1.849 6.431) 11.614 9.254 ( -4.146 -10.152 -5.564) 12.297 9.899 ( -17.691 11.548 -1.778) 21.201 11.185 ( -2.533 -4.130 -2.751) 5.571 11.475 ( 0.988 2.682 5.209) 5.942 12.612 ( 9.919 3.381 -1.005) 10.527 ======================= Grid point 412 (161/489) ======================= q-point: (-0.12 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -4.956 3.678 -0.269) 6.177 3.052 ( -15.109 -8.042 -0.215) 17.117 4.243 ( -3.921 7.613 -2.515) 8.925 4.871 ( -12.129 -7.839 1.469) 14.517 5.897 ( -4.815 3.983 -0.641) 6.281 5.984 ( 1.661 0.577 1.265) 2.166 8.090 ( -13.767 -18.380 3.201) 23.186 9.056 ( -7.183 0.594 1.847) 7.440 9.716 ( -18.761 14.901 -3.265) 24.180 11.177 ( 8.396 -5.967 -3.760) 10.965 11.477 ( -7.720 4.927 6.805) 11.410 12.800 ( 7.176 4.787 -2.661) 9.027 ======================= Grid point 413 (162/489) ======================= q-point: (-0.06 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -8.212 5.797 0.157) 10.053 2.696 ( -16.400 -6.914 0.331) 17.801 4.196 ( -9.750 9.126 -3.944) 13.925 4.600 ( -10.323 -7.326 1.562) 12.754 5.807 ( -11.451 7.560 -0.068) 13.722 6.053 ( 5.344 -1.055 1.976) 5.795 7.573 ( -17.594 -24.804 -1.182) 30.434 9.059 ( -3.065 11.305 6.785) 13.536 9.514 ( -18.344 12.039 -1.915) 22.025 11.299 ( 10.775 -2.240 -10.638) 15.306 11.359 ( -12.779 2.659 14.549) 19.546 12.928 ( 3.594 4.194 -4.973) 7.431 ======================= Grid point 421 (163/489) ======================= q-point: ( 0.41 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 0.000 6.980 -1.463) 7.131 2.441 ( -0.000 11.359 1.514) 11.460 3.967 ( 0.000 10.606 -6.625) 12.505 4.331 ( -0.000 7.725 1.449) 7.860 6.062 ( 0.000 5.360 -1.088) 5.469 6.292 ( -0.000 9.438 5.520) 10.933 6.599 ( 0.000 -0.465 -5.015) 5.037 9.110 ( -0.000 -8.363 11.572) 14.277 9.579 ( -0.000 14.928 1.950) 15.055 9.930 ( 0.000 12.510 -11.560) 17.033 11.994 ( -0.000 3.246 3.297) 4.626 13.197 ( 0.000 -0.565 -3.950) 3.991 ======================= Grid point 422 (164/489) ======================= q-point: ( 0.47 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -0.428 5.561 -2.145) 5.976 2.627 ( 8.428 9.069 0.971) 12.418 4.028 ( -1.211 8.033 -5.372) 9.740 4.477 ( 7.411 6.560 1.476) 10.007 6.062 ( -1.173 -0.558 -0.079) 1.301 6.396 ( -3.289 11.918 3.353) 12.810 6.798 ( 23.559 0.503 -4.039) 23.908 8.988 ( -7.557 -6.865 10.767) 14.839 9.719 ( -1.877 15.875 -1.488) 16.055 10.091 ( 10.752 4.070 -6.848) 13.382 12.031 ( -1.953 4.651 2.876) 5.807 13.136 ( -4.671 -0.565 -3.076) 5.621 ======================= Grid point 423 (165/489) ======================= q-point: ( 0.53 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 0.060 4.049 -2.055) 4.541 2.904 ( 13.349 6.638 0.507) 14.917 4.050 ( -2.250 5.664 -3.725) 7.142 4.717 ( 12.445 5.018 1.123) 13.465 6.026 ( -1.692 -1.495 0.474) 2.307 6.427 ( -6.517 8.911 1.582) 11.153 7.349 ( 38.286 1.142 -2.985) 38.419 8.839 ( -5.937 -4.818 9.143) 11.918 9.780 ( -6.961 12.513 -4.200) 14.922 10.343 ( 16.361 2.808 -2.824) 16.838 12.025 ( -4.573 2.777 2.535) 5.920 13.007 ( -8.339 -0.426 -1.999) 8.586 ======================= Grid point 424 (166/489) ======================= q-point: ( 0.59 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 0.937 2.579 -1.288) 3.031 3.211 ( 14.724 4.582 0.196) 15.422 4.038 ( -3.286 3.400 -1.976) 5.125 5.008 ( 15.144 3.742 0.681) 15.614 5.979 ( -2.129 -1.569 0.677) 2.730 6.357 ( -9.618 4.879 0.176) 10.786 8.068 ( 41.349 1.337 -3.137) 41.490 8.769 ( -0.469 -3.180 8.020) 8.640 9.717 ( -9.070 7.513 -2.993) 12.152 10.685 ( 17.727 6.850 -2.692) 19.194 11.935 ( -7.494 -1.763 2.435) 8.074 12.825 ( -11.230 -0.595 -1.132) 11.303 ======================= Grid point 425 (167/489) ======================= q-point: ( 0.65 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 1.703 1.462 -0.325) 2.268 3.503 ( 14.038 3.011 0.080) 14.357 3.988 ( -4.692 1.283 -0.516) 4.892 5.313 ( 15.413 2.669 0.169) 15.643 5.925 ( -2.628 -1.529 0.807) 3.146 6.199 ( -11.507 1.200 -0.712) 11.591 8.655 ( 20.924 0.478 -9.487) 22.979 8.851 ( 10.148 -1.624 11.747) 15.608 9.675 ( 1.314 5.408 0.189) 5.569 11.058 ( 15.590 10.390 -3.835) 19.124 11.746 ( -9.501 -7.516 2.862) 12.448 12.599 ( -13.044 -1.017 -0.695) 13.102 ======================= Grid point 426 (168/489) ======================= q-point: (-0.29 -0.59 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 2.187 0.966 0.359) 2.417 3.752 ( 12.249 -1.403 -0.506) 12.340 3.900 ( -6.334 2.626 0.981) 6.926 5.586 ( 13.629 0.181 -0.419) 13.636 5.844 ( -6.472 -1.704 0.819) 6.743 6.006 ( -8.883 -0.019 -1.003) 8.939 8.826 ( 3.900 2.698 -5.695) 7.411 8.974 ( 1.921 -3.085 5.291) 6.419 9.946 ( 19.590 2.829 3.199) 20.050 11.368 ( 4.173 14.625 -6.146) 16.403 11.504 ( -3.952 -14.800 4.926) 16.091 12.371 ( -10.446 -0.098 -0.489) 10.458 ======================= Grid point 427 (169/489) ======================= q-point: (-0.24 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 2.088 1.183 0.542) 2.460 3.706 ( -5.565 -8.964 -0.573) 10.566 4.015 ( 7.093 7.722 1.279) 10.563 5.597 ( -8.379 -12.075 0.797) 14.719 5.817 ( 4.572 6.188 -2.150) 7.989 5.928 ( -1.309 1.416 0.340) 1.958 8.766 ( -12.313 3.695 6.852) 14.567 9.052 ( 11.508 -6.354 -7.663) 15.216 10.225 ( 6.374 -1.050 3.513) 7.353 11.305 ( -1.808 -5.705 2.921) 6.659 11.491 ( -3.623 2.649 -3.396) 5.628 12.315 ( 2.495 5.526 -0.472) 6.081 ======================= Grid point 428 (170/489) ======================= q-point: (-0.18 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 1.064 2.046 0.304) 2.326 3.475 ( -9.054 -10.643 -0.440) 13.980 4.207 ( 5.135 7.864 0.560) 9.408 5.296 ( -11.431 -11.966 0.811) 16.568 5.877 ( 0.659 0.727 -1.310) 1.636 5.993 ( 2.478 5.087 -0.242) 5.664 8.559 ( -13.958 -6.234 8.072) 17.287 9.124 ( 5.925 -4.686 -7.391) 10.568 10.200 ( -6.967 1.980 1.691) 7.438 11.185 ( -5.586 -11.860 1.056) 13.152 11.498 ( 2.179 8.070 0.129) 8.360 12.506 ( 8.562 9.089 -0.967) 12.524 ======================= Grid point 429 (171/489) ======================= q-point: (-0.12 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -0.909 3.373 -0.109) 3.495 3.182 ( -11.291 -11.280 -0.344) 15.963 4.345 ( 0.927 8.497 -0.985) 8.604 4.980 ( -11.019 -11.660 1.073) 16.079 5.898 ( 1.880 -0.145 0.171) 1.893 6.058 ( -1.420 5.753 -0.723) 5.969 8.172 ( -16.538 -21.455 3.587) 27.325 9.151 ( -0.262 5.078 0.902) 5.164 10.099 ( -11.270 8.010 -1.712) 13.932 10.988 ( 0.320 -13.185 -0.684) 13.206 11.626 ( 0.231 8.524 2.612) 8.918 12.736 ( 7.161 8.820 -1.638) 11.479 ======================= Grid point 430 (172/489) ======================= q-point: (-0.06 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -3.547 4.759 -0.504) 5.957 2.867 ( -12.430 -9.130 -0.008) 15.423 4.394 ( -4.290 8.324 -3.086) 9.860 4.698 ( -9.532 -8.957 1.163) 13.132 5.944 ( 3.182 -0.422 2.085) 3.828 6.055 ( -5.260 6.056 -0.745) 8.056 7.631 ( -17.411 -24.494 -0.199) 30.052 9.240 ( -1.493 12.126 6.698) 13.933 9.921 ( -16.877 6.849 -1.417) 18.269 10.964 ( 11.593 -11.722 -3.913) 16.944 11.666 ( -7.315 8.805 4.343) 12.243 12.906 ( 3.876 6.961 -2.812) 8.450 ======================= Grid point 439 (173/489) ======================= q-point: ( 0.47 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 0.000 4.505 -1.686) 4.810 2.635 ( -0.000 7.014 0.555) 7.036 4.096 ( 0.000 6.214 -3.682) 7.223 4.475 ( -0.000 5.262 1.259) 5.411 6.059 ( -0.000 -1.604 0.037) 1.604 6.563 ( -0.000 11.092 1.326) 11.171 6.568 ( 0.000 0.187 -2.466) 2.473 9.024 ( -0.000 -8.020 11.320) 13.873 9.841 ( -0.000 9.763 0.813) 9.797 10.033 ( 0.000 5.632 -7.557) 9.425 12.112 ( -0.000 5.566 1.627) 5.799 13.160 ( 0.000 -0.667 -2.432) 2.522 ======================= Grid point 440 (174/489) ======================= q-point: ( 0.53 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -0.741 3.341 -0.790) 3.513 2.769 ( 8.122 4.565 0.217) 9.319 4.126 ( -1.517 4.438 -1.828) 5.034 4.587 ( 7.126 3.358 0.682) 7.907 6.036 ( -0.943 -1.344 0.095) 1.644 6.599 ( -2.916 6.098 0.138) 6.761 6.804 ( 22.409 1.913 -1.368) 22.532 8.925 ( -5.939 -6.396 9.562) 12.947 9.961 ( -1.217 9.168 -1.464) 9.363 10.108 ( 9.613 1.453 -2.568) 10.056 12.138 ( -3.268 3.869 0.751) 5.120 13.109 ( -4.366 -0.335 -1.571) 4.652 ======================= Grid point 441 (175/489) ======================= q-point: ( 0.59 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -0.491 2.098 0.383) 2.188 2.995 ( 13.257 2.129 -0.007) 13.427 4.121 ( -2.807 2.788 -0.002) 3.956 4.787 ( 12.576 1.414 0.111) 12.655 6.002 ( -1.673 -0.886 0.039) 1.894 6.550 ( -7.502 2.909 -1.147) 8.128 7.363 ( 38.033 1.296 -0.616) 38.060 8.801 ( -4.453 -4.520 7.438) 9.777 9.928 ( -8.098 4.820 -0.464) 9.435 10.394 ( 18.935 2.419 -0.706) 19.102 12.072 ( -7.236 0.707 0.031) 7.271 12.992 ( -8.297 0.093 -0.870) 8.343 ======================= Grid point 442 (176/489) ======================= q-point: (-0.35 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 0.415 0.986 1.409) 1.769 3.256 ( 15.090 -0.102 -0.103) 15.091 4.084 ( -4.100 1.361 1.553) 4.591 5.043 ( 15.720 -0.450 -0.330) 15.730 5.961 ( -2.267 -0.373 -0.072) 2.298 6.397 ( -10.449 -0.408 -1.991) 10.644 8.072 ( 39.527 0.998 -2.690) 39.631 8.759 ( 1.854 -2.960 7.279) 8.074 9.811 ( -8.915 2.266 2.739) 9.598 10.768 ( 21.067 1.346 -0.621) 21.119 11.904 ( -11.046 -1.538 -0.853) 11.185 12.816 ( -11.728 0.437 -0.589) 11.751 ======================= Grid point 443 (177/489) ======================= q-point: (-0.29 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 1.488 0.406 1.944) 2.481 3.499 ( 13.788 -3.252 -0.208) 14.168 4.024 ( -4.653 1.346 2.657) 5.525 5.303 ( 15.553 -3.391 -0.715) 15.934 5.914 ( -2.963 0.203 -0.215) 2.977 6.182 ( -11.128 -1.792 -2.206) 11.486 8.584 ( 18.191 -0.479 -10.395) 20.957 8.914 ( 12.698 -0.415 12.046) 17.508 9.741 ( 1.721 -1.533 6.029) 6.455 11.114 ( 18.573 -4.792 1.107) 19.213 11.679 ( -12.408 1.953 -3.141) 12.948 12.599 ( -13.280 1.627 -0.625) 13.394 ======================= Grid point 444 (178/489) ======================= q-point: (-0.24 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 2.357 0.579 1.905) 3.085 3.608 ( 4.504 -10.049 -0.426) 11.020 4.024 ( 1.456 5.522 3.196) 6.544 5.454 ( 7.475 -10.888 -0.772) 13.229 5.866 ( -2.517 2.508 -1.040) 3.703 6.007 ( -5.968 0.750 -1.467) 6.191 8.760 ( 11.299 -4.033 -10.490) 15.937 9.015 ( -7.162 1.392 10.338) 12.654 9.941 ( 19.401 -6.890 7.247) 21.826 11.224 ( 3.626 -14.204 5.692) 15.725 11.582 ( -3.568 9.903 -7.841) 13.126 12.434 ( -7.707 6.337 -0.473) 9.989 ======================= Grid point 445 (179/489) ======================= q-point: (-0.18 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 2.575 1.387 1.404) 3.244 3.472 ( -4.580 -13.279 -0.212) 14.048 4.185 ( 6.597 7.060 2.535) 9.989 5.310 ( -5.720 -15.415 -0.358) 16.446 5.883 ( -0.176 2.129 -1.946) 2.890 5.997 ( 2.109 4.280 -0.474) 4.795 8.679 ( -8.115 -18.790 0.346) 20.471 9.011 ( 3.145 8.059 -0.340) 8.657 10.162 ( 9.793 -6.622 4.988) 12.831 11.129 ( -1.575 -12.380 5.395) 13.596 11.581 ( -2.472 8.019 -6.377) 10.539 12.498 ( 3.736 11.263 -0.294) 11.870 ======================= Grid point 446 (180/489) ======================= q-point: (-0.12 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 1.830 2.492 0.615) 3.152 3.222 ( -7.769 -13.523 -0.193) 15.597 4.372 ( 5.084 7.208 1.161) 8.897 5.024 ( -8.574 -14.277 0.096) 16.654 5.883 ( -0.170 0.647 -0.855) 1.086 6.098 ( 2.783 4.853 -0.647) 5.632 8.229 ( -15.677 -26.354 1.783) 30.716 9.183 ( 5.249 9.882 -0.490) 11.200 10.229 ( 1.474 0.416 1.401) 2.076 10.909 ( -7.577 -15.381 1.698) 17.230 11.680 ( 3.749 9.343 -1.343) 10.157 12.712 ( 6.511 10.726 -0.397) 12.554 ======================= Grid point 447 (181/489) ======================= q-point: (-0.06 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 0.093 3.440 -0.310) 3.455 2.949 ( -8.675 -11.011 -0.047) 14.017 4.493 ( 0.351 5.879 -1.146) 6.000 4.755 ( -7.391 -9.871 0.403) 12.338 5.895 ( 1.602 -0.422 0.780) 1.831 6.166 ( -0.583 4.847 -0.284) 4.890 7.674 ( -16.280 -25.757 0.042) 30.471 9.378 ( 3.268 12.972 2.993) 13.708 10.213 ( -9.053 5.002 0.041) 10.343 10.668 ( 2.395 -17.123 -2.421) 17.458 11.818 ( 0.738 8.231 1.311) 8.368 12.905 ( 4.425 8.148 -0.834) 9.309 ======================= Grid point 457 (182/489) ======================= q-point: ( 0.53 0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -0.000 2.212 0.720) 2.326 2.731 ( 0.000 2.294 -0.108) 2.297 4.175 ( -0.000 2.914 0.340) 2.934 4.550 ( 0.000 1.524 -0.087) 1.527 6.033 ( 0.000 -0.784 -0.197) 0.808 6.573 ( -0.000 0.729 1.191) 1.396 6.714 ( 0.000 3.784 -1.971) 4.267 8.954 ( -0.000 -5.963 8.739) 10.580 9.976 ( 0.000 3.227 -0.364) 3.248 10.088 ( 0.000 3.402 -1.098) 3.575 12.202 ( 0.000 2.246 -0.339) 2.271 13.141 ( 0.000 0.077 -0.903) 0.907 ======================= Grid point 458 (183/489) ======================= q-point: (-0.41 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -0.858 0.889 2.134) 2.466 2.813 ( 8.018 -0.148 -0.320) 8.026 4.186 ( -1.642 1.411 2.284) 3.147 4.616 ( 7.061 -0.479 -0.709) 7.113 6.019 ( -0.943 -0.149 -0.402) 1.036 6.650 ( -2.022 -0.334 -1.598) 2.599 6.835 ( 21.161 0.929 0.890) 21.200 8.874 ( -5.316 -4.178 6.502) 9.380 10.078 ( -3.145 0.486 1.519) 3.526 10.116 ( 11.778 2.160 0.316) 11.979 12.173 ( -4.006 -0.611 -1.234) 4.236 13.105 ( -4.327 0.680 -0.325) 4.392 ======================= Grid point 459 (184/489) ======================= q-point: (-0.35 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -0.574 -0.440 3.092) 3.175 2.990 ( 13.342 -2.418 -0.384) 13.564 4.163 ( -3.001 -0.069 3.792) 4.836 4.775 ( 12.676 -2.239 -0.974) 12.909 5.995 ( -1.730 0.452 -0.594) 1.884 6.524 ( -7.392 -3.856 -3.515) 9.048 7.388 ( 37.300 0.780 1.664) 37.345 8.771 ( -3.802 -2.598 4.669) 6.557 9.988 ( -7.681 -1.135 4.787) 9.122 10.407 ( 19.060 -0.619 0.630) 19.080 12.046 ( -7.619 -2.481 -2.337) 8.347 13.001 ( -8.494 1.104 -0.103) 8.566 ======================= Grid point 460 (185/489) ======================= q-point: (-0.29 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 0.697 -1.301 3.378) 3.686 3.206 ( 14.882 -4.802 -0.259) 15.640 4.111 ( -3.742 -1.098 4.591) 6.023 4.988 ( 15.221 -4.304 -1.090) 15.855 5.964 ( -2.366 0.943 -0.736) 2.651 6.313 ( -9.034 -5.783 -3.825) 11.388 8.069 ( 36.441 0.722 -2.759) 36.553 8.758 ( 4.328 -2.125 6.580) 8.158 9.829 ( -8.777 -5.257 7.052) 12.425 10.737 ( 19.354 -3.424 2.189) 19.776 11.862 ( -9.145 -1.037 -4.195) 10.114 12.835 ( -11.632 1.695 -0.191) 11.756 ======================= Grid point 461 (186/489) ======================= q-point: (-0.24 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 2.316 -1.283 3.042) 4.033 3.374 ( 10.863 -8.946 -0.084) 14.073 4.068 ( -1.234 0.112 4.697) 4.857 5.175 ( 12.372 -8.230 -1.242) 14.911 5.925 ( -2.785 0.984 -0.958) 3.105 6.100 ( -6.765 -4.089 -3.225) 8.537 8.491 ( 13.781 -0.988 -11.390) 17.906 8.986 ( 16.220 -2.339 13.078) 20.966 9.669 ( 0.280 -10.995 7.437) 13.277 10.984 ( 12.177 -6.850 5.439) 14.993 11.714 ( -5.907 3.291 -7.494) 10.094 12.656 ( -10.866 4.076 -0.060) 11.605 ======================= Grid point 462 (187/489) ======================= q-point: (-0.18 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 3.585 -0.428 2.308) 4.285 3.363 ( 1.343 -14.003 0.062) 14.067 4.141 ( 5.683 3.188 4.208) 7.757 5.188 ( 1.875 -14.071 -1.316) 14.256 5.904 ( -0.127 2.117 -1.836) 2.805 6.003 ( -0.900 -0.219 -1.467) 1.735 8.529 ( 1.342 -12.826 -7.791) 15.067 9.095 ( -2.045 -1.189 7.346) 7.718 9.809 ( 21.033 -9.409 6.180) 23.856 11.057 ( 1.570 -6.292 7.974) 10.278 11.655 ( -2.118 3.519 -9.713) 10.546 12.594 ( -2.661 8.676 0.651) 9.098 ======================= Grid point 463 (188/489) ======================= q-point: (-0.12 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 3.883 0.807 1.369) 4.196 3.180 ( -4.081 -15.351 0.043) 15.884 4.322 ( 8.049 4.272 3.187) 9.654 4.992 ( -5.006 -15.243 -0.969) 16.074 5.909 ( -1.570 2.194 -1.988) 3.351 6.056 ( 5.347 1.501 -0.262) 5.560 8.196 ( -11.791 -27.143 -0.690) 29.602 9.164 ( 6.005 6.305 -1.634) 8.859 10.070 ( 14.099 -6.075 3.759) 15.806 10.954 ( -9.033 -7.003 5.335) 12.614 11.674 ( 3.986 4.681 -5.923) 8.537 12.721 ( 4.441 10.030 1.004) 11.015 ======================= Grid point 475 (189/489) ======================= q-point: (-0.41 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -0.000 -0.756 3.520) 3.600 2.725 ( 0.000 -2.604 -0.599) 2.672 4.219 ( -0.000 -0.253 4.388) 4.395 4.535 ( 0.000 -2.377 -1.399) 2.758 6.028 ( 0.000 0.604 -0.741) 0.956 6.612 ( -0.000 0.940 4.640) 4.734 6.684 ( 0.000 -4.393 -4.648) 6.395 8.914 ( -0.000 -2.710 5.045) 5.727 9.963 ( 0.000 -3.798 -1.488) 4.079 10.165 ( -0.000 2.431 5.993) 6.467 12.182 ( 0.000 -3.414 -2.200) 4.061 13.153 ( -0.000 1.381 0.204) 1.396 ======================= Grid point 476 (190/489) ======================= q-point: (-0.35 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -0.758 -2.541 4.239) 5.000 2.758 ( 8.193 -4.952 -0.745) 9.602 4.211 ( -1.656 -2.047 5.890) 6.452 4.562 ( 7.288 -3.907 -1.531) 8.410 6.025 ( -1.017 1.247 -0.960) 1.874 6.550 ( -4.047 -7.663 -4.737) 9.876 6.864 ( 23.036 0.361 4.402) 23.455 8.854 ( -5.417 -1.023 3.032) 6.292 9.978 ( 5.592 -8.923 -0.412) 10.539 10.219 ( 3.098 2.918 8.205) 9.243 12.094 ( -3.539 -5.312 -3.331) 7.200 13.131 ( -4.578 1.794 0.432) 4.936 ======================= Grid point 477 (191/489) ======================= q-point: (-0.29 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -0.013 -3.953 4.210) 5.775 2.891 ( 13.646 -7.042 -0.642) 15.369 4.164 ( -2.808 -3.830 6.461) 8.019 4.690 ( 12.635 -5.182 -1.278) 13.716 6.011 ( -1.876 1.607 -0.988) 2.660 6.347 ( -6.035 -10.235 -5.557) 13.117 7.419 ( 36.200 0.599 3.325) 36.358 8.764 ( -4.082 -0.586 2.141) 4.646 9.884 ( -3.723 -13.441 4.565) 14.675 10.435 ( 14.237 1.660 6.420) 15.706 11.944 ( -5.576 -4.692 -4.895) 8.779 13.033 ( -8.785 1.884 0.344) 8.991 ======================= Grid point 478 (192/489) ======================= q-point: (-0.24 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 2.057 -4.376 3.533) 5.988 3.058 ( 14.147 -9.700 -0.273) 17.155 4.095 ( -2.045 -4.552 6.091) 7.874 4.862 ( 13.687 -7.163 -1.079) 15.486 5.977 ( -3.005 -0.523 -0.817) 3.157 6.127 ( -4.913 -7.800 -5.293) 10.629 8.069 ( 32.763 1.417 -2.868) 32.918 8.750 ( 5.069 -3.878 6.178) 8.882 9.642 ( -6.815 -17.942 5.790) 20.047 10.737 ( 14.839 0.722 7.361) 16.580 11.790 ( -5.267 -2.144 -7.265) 9.225 12.880 ( -10.675 2.563 0.406) 10.986 ======================= Grid point 479 (193/489) ======================= q-point: (-0.18 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 4.417 -3.620 2.515) 6.240 3.141 ( 7.933 -14.037 0.049) 16.124 4.082 ( 3.401 -2.537 5.327) 6.810 4.967 ( 7.879 -11.130 -1.268) 13.695 5.888 ( -0.206 -5.745 -1.713) 5.999 6.026 ( -2.423 1.174 -3.040) 4.060 8.366 ( 3.957 -5.405 -8.874) 11.119 8.959 ( 17.259 -9.662 10.984) 22.625 9.435 ( 6.286 -13.462 3.551) 15.276 10.987 ( 8.353 1.408 9.851) 12.992 11.667 ( -3.234 -1.546 -10.771) 11.352 12.755 ( -7.047 5.077 1.334) 8.787 ======================= Grid point 480 (194/489) ======================= q-point: (-0.12 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 5.945 -2.122 1.469) 6.481 3.050 ( 0.555 -16.913 0.073) 16.922 4.205 ( 9.247 -0.070 4.511) 10.290 4.887 ( -0.751 -14.392 -1.508) 14.490 5.902 ( 6.067 -2.185 -1.347) 6.588 6.000 ( -1.538 1.996 -1.694) 3.036 8.117 ( -10.117 -24.355 -1.594) 26.421 9.076 ( 6.885 -1.205 -2.101) 7.298 9.675 ( 22.743 -8.318 4.438) 24.620 11.096 ( -4.273 3.352 10.121) 11.486 11.584 ( 2.932 -3.167 -11.626) 12.401 12.772 ( 0.570 7.538 2.545) 7.977 ======================= Grid point 493 (195/489) ======================= q-point: (-0.35 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -0.000 -4.894 4.581) 6.704 2.617 ( 0.000 -7.530 -1.038) 7.601 4.218 ( -0.000 -4.393 7.292) 8.514 4.443 ( 0.000 -5.333 -1.582) 5.563 6.047 ( 0.000 2.033 -1.154) 2.337 6.475 ( 0.000 -12.107 -6.560) 13.770 6.671 ( -0.000 0.742 6.681) 6.722 8.921 ( -0.000 1.108 1.663) 1.999 9.805 ( 0.000 -10.310 -2.478) 10.604 10.252 ( -0.000 -1.220 12.608) 12.667 12.047 ( 0.000 -6.868 -4.405) 8.159 13.195 ( -0.000 2.247 0.704) 2.355 ======================= Grid point 494 (196/489) ======================= q-point: (-0.29 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -0.297 -6.996 4.211) 8.171 2.603 ( 8.639 -9.700 -1.102) 13.036 4.173 ( -1.522 -6.985 7.622) 10.450 4.448 ( 7.554 -6.158 -1.099) 9.808 6.054 ( -1.316 2.019 -0.866) 2.561 6.281 ( -3.132 -14.102 -7.049) 16.074 6.912 ( 22.704 0.437 6.153) 23.527 8.877 ( -6.503 1.967 0.399) 6.806 9.724 ( 3.438 -15.561 -1.059) 15.971 10.313 ( 5.595 -2.589 13.602) 14.934 11.940 ( -2.497 -5.626 -5.580) 8.308 13.177 ( -4.940 2.185 0.628) 5.438 ======================= Grid point 495 (197/489) ======================= q-point: (-0.24 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 1.389 -8.158 3.255) 8.892 2.697 ( 14.001 -11.622 -0.763) 18.212 4.085 ( -1.834 -9.154 6.797) 11.548 4.559 ( 12.221 -6.879 -0.499) 14.033 5.985 ( -3.685 -11.330 -2.098) 12.098 6.105 ( -1.830 -1.227 -5.397) 5.829 7.460 ( 35.264 0.908 3.931) 35.494 8.767 ( -6.622 -0.943 0.820) 6.739 9.538 ( -2.948 -21.771 2.243) 22.084 10.518 ( 14.414 -1.641 11.139) 18.291 11.819 ( -4.061 -2.387 -6.853) 8.315 13.076 ( -8.792 1.950 0.596) 9.026 ======================= Grid point 496 (198/489) ======================= q-point: (-0.18 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 4.610 -7.844 1.950) 9.305 2.811 ( 12.888 -14.495 -0.278) 19.398 4.002 ( 1.564 -9.045 5.553) 10.729 4.695 ( 11.122 -8.698 -0.388) 14.125 5.782 ( -0.600 -14.499 -3.285) 14.879 6.085 ( -2.187 4.132 -2.876) 5.489 8.087 ( 28.373 2.171 -2.651) 28.579 8.632 ( 0.613 -15.026 7.170) 16.661 9.277 ( -1.833 -16.705 1.008) 16.835 10.816 ( 16.111 -1.500 9.590) 18.809 11.698 ( -5.689 0.096 -8.620) 10.328 12.940 ( -8.808 2.613 1.487) 9.307 ======================= Grid point 497 (199/489) ======================= q-point: (-0.12 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 7.711 -6.219 0.728) 9.933 2.815 ( 6.201 -17.922 -0.183) 18.965 4.032 ( 8.834 -6.164 4.725) 11.763 4.722 ( 3.691 -12.052 -1.116) 12.654 5.705 ( 7.548 -10.029 -1.576) 12.651 6.076 ( -3.009 4.593 -2.405) 5.995 8.067 ( -11.647 -22.012 -0.754) 24.915 8.814 ( 22.048 -5.840 1.443) 22.854 9.254 ( 13.457 -6.499 0.896) 14.971 11.094 ( 13.594 -1.865 8.807) 16.304 11.543 ( -8.479 0.258 -11.004) 13.894 12.871 ( -3.540 4.514 3.523) 6.732 ======================= Grid point 511 (200/489) ======================= q-point: (-0.29 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -0.000 -9.802 3.533) 10.419 2.408 ( 0.000 -12.199 -1.426) 12.282 4.126 ( -0.000 -10.575 7.581) 13.012 4.311 ( 0.000 -6.780 -0.411) 6.792 6.068 ( 0.000 -7.590 -0.804) 7.633 6.143 ( 0.000 -7.015 -7.514) 10.280 6.731 ( -0.000 0.327 6.854) 6.861 8.982 ( 0.000 4.321 -0.483) 4.348 9.522 ( 0.000 -15.358 -3.178) 15.684 10.239 ( -0.000 -12.257 16.849) 20.836 11.895 ( 0.000 -2.839 -5.884) 6.533 13.246 ( -0.000 2.193 0.497) 2.249 ======================= Grid point 512 (201/489) ======================= q-point: (-0.24 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 0.571 -11.799 2.410) 12.056 2.354 ( 9.276 -14.023 -1.292) 16.863 4.016 ( -0.916 -14.117 6.294) 15.484 4.311 ( 7.619 -6.868 0.473) 10.269 5.857 ( -2.281 -20.024 -4.936) 20.749 6.140 ( -0.895 4.691 -2.777) 5.525 6.963 ( 22.497 0.346 5.733) 23.219 8.925 ( -9.731 1.882 -0.753) 9.940 9.353 ( -0.281 -19.533 -1.059) 19.563 10.251 ( 12.126 -14.446 14.523) 23.805 11.848 ( -2.387 1.776 -5.647) 6.383 13.221 ( -5.178 1.739 0.262) 5.469 ======================= Grid point 513 (202/489) ======================= q-point: (-0.18 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 3.633 -12.307 0.917) 12.865 2.415 ( 14.104 -15.684 -0.713) 21.105 3.875 ( 0.896 -15.991 4.561) 16.653 4.417 ( 11.170 -7.096 0.950) 13.268 5.604 ( -0.761 -19.855 -4.413) 20.354 6.160 ( -1.757 5.597 -2.214) 6.270 7.509 ( 35.227 1.347 3.318) 35.408 8.651 ( -14.915 -15.793 2.386) 21.853 9.150 ( -1.031 -12.685 -0.576) 12.740 10.458 ( 20.242 -12.187 8.888) 25.244 11.802 ( -5.228 5.631 -5.170) 9.261 13.115 ( -8.197 1.330 0.867) 8.349 ======================= Grid point 514 (203/489) ======================= q-point: (-0.12 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 8.217 -10.881 -0.507) 13.645 2.475 ( 11.361 -18.333 -0.507) 21.574 3.802 ( 7.686 -14.133 3.606) 16.487 4.514 ( 7.479 -8.965 0.187) 11.676 5.443 ( 5.988 -16.255 -2.580) 17.514 6.171 ( -2.789 5.770 -2.123) 6.752 8.054 ( -2.973 -12.711 -0.948) 13.089 8.259 ( 22.835 -15.885 5.946) 28.445 9.084 ( 2.621 -3.306 -1.893) 4.624 10.715 ( 20.383 -13.485 2.349) 24.553 11.733 ( -8.875 8.087 -3.928) 12.633 13.004 ( -6.257 2.012 3.262) 7.338 ======================= Grid point 529 (204/489) ======================= q-point: (-0.24 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -0.000 -14.583 1.378) 14.648 2.110 ( 0.000 -16.168 -1.620) 16.249 3.875 ( -0.000 -19.150 4.592) 19.693 4.176 ( -0.000 -6.683 1.606) 6.874 5.644 ( 0.000 -22.225 -5.059) 22.793 6.194 ( 0.000 5.820 -1.782) 6.086 6.777 ( -0.000 -0.132 5.257) 5.258 9.069 ( 0.000 3.726 -1.335) 3.957 9.156 ( 0.000 -18.188 -3.319) 18.488 9.964 ( -0.000 -25.693 16.542) 30.558 11.895 ( 0.000 6.371 -4.130) 7.593 13.284 ( 0.000 1.411 -0.399) 1.466 ======================= Grid point 530 (205/489) ======================= q-point: (-0.18 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 1.729 -16.073 -0.063) 16.165 2.026 ( 10.024 -17.429 -1.160) 20.140 3.676 ( 0.836 -22.971 2.448) 23.117 4.188 ( 7.422 -6.152 2.414) 9.938 5.388 ( -0.902 -22.268 -4.349) 22.707 6.240 ( -1.132 6.397 -1.461) 6.658 7.003 ( 23.061 0.177 3.646) 23.348 8.770 ( -17.487 -21.344 0.482) 27.597 9.071 ( -0.382 -4.872 -0.949) 4.979 9.965 ( 19.406 -20.205 10.748) 30.006 11.938 ( -2.925 9.306 -2.918) 10.182 13.246 ( -5.108 0.752 -0.463) 5.183 ======================= Grid point 531 (206/489) ======================= q-point: (-0.12 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 6.685 -15.402 -1.682) 16.874 2.062 ( 13.696 -18.691 -0.681) 23.182 3.500 ( 6.409 -23.126 1.331) 24.035 4.292 ( 9.193 -6.261 1.972) 11.296 5.167 ( 2.941 -20.124 -3.099) 20.572 6.271 ( -2.266 6.462 -1.539) 7.019 7.557 ( 36.302 1.263 1.527) 36.356 8.160 ( -20.749 -30.688 3.682) 37.227 9.029 ( 0.865 -3.003 -1.283) 3.378 10.187 ( 21.845 -16.903 2.980) 27.781 11.952 ( -6.163 10.550 -1.830) 12.354 13.141 ( -6.740 0.422 1.580) 6.936 ======================= Grid point 547 (207/489) ======================= q-point: (-0.18 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -0.000 -18.412 -0.700) 18.425 1.741 ( 0.000 -19.084 -1.448) 19.139 3.407 ( -0.000 -28.888 -0.050) 28.888 4.072 ( -0.000 -5.330 3.660) 6.466 5.157 ( 0.000 -22.482 -3.654) 22.777 6.313 ( 0.000 6.693 -0.900) 6.753 6.797 ( -0.000 -0.684 2.298) 2.398 8.762 ( 0.000 -18.329 -2.598) 18.512 8.960 ( -0.000 -20.856 1.841) 20.937 9.624 ( -0.000 -10.883 12.042) 16.231 12.060 ( 0.000 10.964 -1.737) 11.101 13.294 ( 0.000 0.325 -1.716) 1.746 ======================= Grid point 548 (208/489) ======================= q-point: (-0.12 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 3.166 -18.955 -2.123) 19.335 1.643 ( 10.808 -19.659 -0.785) 22.448 3.126 ( 4.473 -31.572 -1.442) 31.920 4.102 ( 6.749 -4.526 3.780) 8.962 4.920 ( 0.325 -21.133 -2.979) 21.345 6.366 ( -1.380 6.629 -0.908) 6.831 7.018 ( 24.289 -0.225 0.438) 24.294 8.249 ( -22.467 -29.410 3.154) 37.144 8.879 ( 8.995 -16.743 0.003) 19.006 9.743 ( 13.483 -5.499 6.606) 15.990 12.140 ( -3.219 11.205 -1.073) 11.707 13.245 ( -4.513 -0.267 -1.050) 4.641 ======================= Grid point 565 (209/489) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 0.000 -20.582 -1.805) 20.661 1.328 ( -0.000 -20.927 -0.754) 20.941 2.721 ( 0.000 -37.390 -3.439) 37.548 4.016 ( -0.000 -3.331 4.843) 5.878 4.700 ( 0.000 -20.192 -2.802) 20.386 6.442 ( 0.000 6.298 -0.541) 6.322 6.780 ( 0.000 -1.394 -1.105) 1.778 8.319 ( -0.000 -40.124 6.625) 40.667 8.400 ( 0.000 -15.713 -1.046) 15.748 9.678 ( -0.000 4.800 7.755) 9.120 12.277 ( 0.000 10.839 -0.730) 10.864 13.275 ( 0.000 -0.479 -2.985) 3.023 ======================= Grid point 620 (210/489) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( -0.000 0.000 20.059) 20.059 0.442 ( -0.000 0.000 20.059) 20.059 0.802 ( -0.000 0.000 36.241) 36.241 3.937 ( 0.000 -0.000 -4.110) 4.110 3.937 ( 0.000 -0.000 -4.110) 4.110 6.696 ( -0.000 0.000 1.294) 1.294 6.696 ( -0.000 0.000 1.294) 1.294 7.646 ( 0.000 -0.000 -5.283) 5.283 7.900 ( 0.000 -0.000 -0.151) 0.151 7.900 ( 0.000 -0.000 -0.151) 0.151 12.670 ( -0.000 0.000 2.395) 2.395 12.983 ( -0.000 0.000 2.846) 2.846 ======================= Grid point 621 (211/489) ======================= q-point: ( 0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 9.749 5.628 18.699) 21.826 0.714 ( 13.184 7.612 14.681) 21.150 1.214 ( 25.339 14.630 20.790) 35.893 3.967 ( 6.317 3.647 -5.254) 8.989 3.985 ( 3.034 1.752 -2.762) 4.461 6.649 ( -1.695 -0.978 -0.768) 2.102 6.770 ( -6.672 -3.852 5.640) 9.548 7.129 ( 16.378 9.456 8.258) 20.637 7.977 ( 5.726 3.306 0.682) 6.646 9.267 ( 39.795 22.976 -35.139) 57.847 12.630 ( -4.240 -2.448 2.488) 5.492 13.007 ( -0.673 -0.388 -4.028) 4.102 ======================= Grid point 622 (212/489) ======================= q-point: ( 0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 10.828 6.251 15.778) 20.131 1.099 ( 15.469 8.931 9.871) 20.408 1.956 ( 31.497 18.185 7.712) 37.179 4.055 ( 3.563 2.057 -1.375) 4.338 4.194 ( 14.256 8.231 -3.912) 16.920 6.619 ( -0.166 -0.096 -2.932) 2.939 6.637 ( -5.574 -3.218 3.734) 7.441 7.774 ( 31.337 18.093 4.252) 36.434 8.165 ( 9.854 5.689 1.640) 11.496 9.748 ( 15.074 8.703 -11.540) 20.884 12.493 ( -8.042 -4.643 1.936) 9.485 12.936 ( -2.616 -1.510 -8.588) 9.104 ======================= Grid point 623 (213/489) ======================= q-point: ( 0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 13.478 7.781 9.535) 18.251 1.490 ( 15.410 8.897 6.627) 18.988 2.682 ( 28.944 16.711 1.305) 33.448 4.138 ( 3.738 2.158 -0.250) 4.324 4.579 ( 19.016 10.979 -1.494) 22.008 6.523 ( -5.421 -3.130 2.911) 6.903 6.625 ( 1.857 1.072 -4.578) 5.056 8.440 ( 12.923 7.461 2.362) 15.108 8.482 ( 26.711 15.422 -0.527) 30.848 10.052 ( 13.964 8.062 5.595) 17.068 12.274 ( -11.113 -6.416 0.940) 12.867 12.850 ( -1.304 -0.753 -11.386) 11.485 ======================= Grid point 624 (214/489) ======================= q-point: ( 0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 13.621 7.864 4.160) 16.269 1.855 ( 14.119 8.152 4.250) 16.849 3.300 ( 24.181 13.961 -2.868) 28.069 4.225 ( 3.628 2.094 0.508) 4.220 5.039 ( 20.022 11.560 0.634) 23.128 6.403 ( -5.696 -3.289 2.984) 7.222 6.673 ( 3.706 2.140 -5.537) 6.997 8.773 ( 14.608 8.434 2.758) 17.092 8.966 ( 15.633 9.026 -2.059) 18.169 10.476 ( 19.296 11.141 10.952) 24.828 11.988 ( -13.441 -7.760 0.320) 15.524 12.808 ( 1.323 0.764 -11.367) 11.469 ======================= Grid point 625 (215/489) ======================= q-point: ( 0.41 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 11.700 6.755 0.042) 13.510 2.172 ( 11.881 6.859 2.538) 13.951 3.788 ( 19.047 10.997 -5.548) 22.682 4.308 ( 3.226 1.862 0.973) 3.850 5.490 ( 17.832 10.295 1.858) 20.674 6.280 ( -5.813 -3.356 3.458) 7.551 6.753 ( 4.830 2.788 -5.952) 8.157 9.125 ( 14.464 8.351 2.866) 16.946 9.252 ( 10.344 5.972 1.741) 12.070 10.950 ( 17.085 9.864 0.554) 19.736 11.672 ( -13.041 -7.529 4.274) 15.653 12.833 ( 3.770 2.177 -8.433) 9.491 ======================= Grid point 626 (216/489) ======================= q-point: ( 0.47 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 8.677 5.010 -2.639) 10.361 2.422 ( 8.930 5.155 1.453) 10.413 4.153 ( 14.388 8.307 -7.109) 18.070 4.379 ( 2.503 1.445 1.266) 3.155 5.866 ( 13.507 7.798 2.163) 15.745 6.160 ( -5.586 -3.225 4.315) 7.760 6.847 ( 4.919 2.840 -6.073) 8.315 9.450 ( 12.226 7.059 2.766) 14.386 9.503 ( 10.689 6.171 4.832) 13.255 11.037 ( -8.982 -5.186 -18.643) 21.333 11.616 ( 7.132 4.118 14.509) 16.683 12.912 ( 4.654 2.687 -4.326) 6.899 ======================= Grid point 627 (217/489) ======================= q-point: ( 0.53 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 5.526 3.191 -3.674) 7.363 2.595 ( 5.500 3.176 0.909) 6.416 4.412 ( 10.180 5.877 -7.871) 14.146 4.431 ( 1.456 0.840 1.427) 2.205 6.035 ( -3.617 -2.088 1.572) 4.462 6.147 ( 6.990 4.036 5.781) 9.928 6.931 ( 3.968 2.291 -6.053) 7.592 9.699 ( 8.033 4.638 2.552) 9.620 9.793 ( 12.521 7.229 4.831) 15.244 10.643 ( -16.483 -9.517 -17.427) 25.806 11.864 ( 8.253 4.765 6.917) 11.775 13.003 ( 3.692 2.131 -1.226) 4.436 ======================= Grid point 628 (218/489) ======================= q-point: ( 0.59 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 2.598 1.500 -3.440) 4.565 2.683 ( 1.747 1.009 0.705) 2.137 4.455 ( 0.138 0.080 1.378) 1.388 4.569 ( 5.587 3.226 -7.778) 10.105 5.956 ( -3.067 -1.771 2.928) 4.595 6.285 ( 2.588 1.494 4.970) 5.799 6.984 ( 2.289 1.322 -5.884) 6.451 9.832 ( 2.467 1.424 2.316) 3.671 10.031 ( -1.720 -0.993 -7.741) 7.992 10.277 ( -0.796 -0.459 -7.005) 7.065 12.008 ( 2.184 1.261 3.558) 4.361 13.068 ( 2.017 1.164 0.417) 2.366 ======================= Grid point 629 (219/489) ======================= q-point: (-0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -0.751 -0.434 -2.938) 3.064 2.679 ( -2.259 -1.304 0.585) 2.674 4.445 ( -1.321 -0.763 0.987) 1.817 4.610 ( 0.033 0.019 -6.431) 6.431 5.926 ( -0.222 -0.128 2.531) 2.544 6.296 ( -3.190 -1.842 5.085) 6.279 6.995 ( 0.414 0.239 -5.447) 5.468 9.687 ( -14.235 -8.219 -16.460) 23.262 9.827 ( -3.577 -2.065 2.135) 4.650 10.535 ( 14.537 8.393 -2.024) 16.908 11.981 ( -5.544 -3.201 2.948) 7.048 13.105 ( 0.977 0.564 1.673) 2.018 ======================= Grid point 630 (220/489) ======================= q-point: (-0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -5.154 -2.975 -2.938) 6.637 2.580 ( -6.424 -3.709 0.354) 7.426 4.400 ( -2.714 -1.567 0.174) 3.139 4.522 ( -6.031 -3.482 -4.122) 8.092 5.961 ( 2.244 1.295 1.759) 3.132 6.174 ( -8.640 -4.988 4.648) 11.006 6.967 ( -1.107 -0.639 -4.632) 4.805 9.349 ( -9.545 -5.511 -13.893) 17.734 9.685 ( -9.104 -5.256 2.040) 10.708 10.830 ( 11.071 6.392 -9.973) 16.213 11.789 ( -11.046 -6.378 5.578) 13.922 13.133 ( 0.819 0.473 3.330) 3.462 ======================= Grid point 631 (221/489) ======================= q-point: (-0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -10.082 -5.821 -3.282) 12.096 2.383 ( -10.489 -6.056 -0.013) 12.112 4.298 ( -12.387 -7.152 -1.901) 14.429 4.322 ( -3.779 -2.182 -1.017) 4.481 5.896 ( -13.341 -7.702 4.911) 16.169 6.070 ( 3.567 2.059 -0.028) 4.119 6.916 ( -1.930 -1.114 -3.431) 4.091 9.156 ( -3.533 -2.040 -9.193) 10.058 9.428 ( -13.247 -7.648 1.998) 15.426 10.843 ( -8.593 -4.961 -19.692) 22.051 11.642 ( -0.550 -0.318 10.029) 10.050 13.169 ( 1.001 0.578 5.064) 5.194 ======================= Grid point 632 (222/489) ======================= q-point: (-0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -14.350 -8.285 -3.202) 16.877 2.096 ( -14.038 -8.105 -0.339) 16.213 3.927 ( -19.246 -11.112 -0.157) 22.224 4.221 ( -4.260 -2.460 -2.419) 5.482 5.539 ( -17.869 -10.317 4.157) 21.048 6.181 ( 5.431 3.136 -0.504) 6.291 6.859 ( -2.021 -1.167 -1.955) 3.045 9.097 ( -15.446 -8.918 1.908) 17.937 9.099 ( -0.464 -0.268 -3.486) 3.527 10.350 ( -24.154 -13.945 -18.896) 33.689 11.798 ( 9.118 5.264 4.869) 11.600 13.214 ( 1.028 0.594 6.044) 6.160 ======================= Grid point 633 (223/489) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -17.146 -9.899 -1.884) 19.888 1.735 ( -16.664 -9.621 -0.266) 19.244 3.398 ( -26.268 -15.166 1.427) 30.366 4.113 ( -3.970 -2.292 -3.789) 5.948 5.118 ( -18.970 -10.952 3.504) 22.183 6.311 ( 5.724 3.305 -0.369) 6.620 6.812 ( -1.636 -0.945 -0.376) 1.926 8.739 ( -15.526 -8.964 1.625) 18.001 8.975 ( -15.174 -8.761 -1.098) 17.555 9.775 ( -13.730 -7.927 -15.910) 22.461 12.041 ( 10.294 5.943 1.666) 12.003 13.255 ( 0.604 0.349 5.541) 5.584 ======================= Grid point 638 (224/489) ======================= q-point: ( 0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -0.000 11.948 14.989) 19.169 0.778 ( -0.000 8.094 21.257) 22.746 1.338 ( -0.000 29.346 20.888) 36.021 3.863 ( 0.000 -0.996 -6.018) 6.100 4.052 ( 0.000 11.362 -3.173) 11.796 6.759 ( -0.000 1.883 1.941) 2.704 6.835 ( -0.000 5.016 3.248) 5.976 6.904 ( -0.000 -6.405 6.295) 8.981 7.949 ( 0.000 5.953 -0.026) 5.953 9.148 ( 0.000 43.851 -29.782) 53.008 12.640 ( -0.000 -4.933 2.910) 5.728 13.065 ( 0.000 5.606 -3.509) 6.614 ======================= Grid point 639 (225/489) ======================= q-point: ( 0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 5.304 6.802 19.586) 21.401 1.004 ( 12.407 12.978 10.842) 20.975 1.838 ( 13.703 31.216 10.871) 35.783 3.915 ( 8.093 0.119 -5.135) 9.586 4.190 ( 2.155 15.099 -2.165) 15.405 6.648 ( -3.727 -3.602 2.185) 5.625 6.863 ( -9.494 12.255 0.374) 15.507 7.239 ( 28.729 2.721 2.111) 28.935 8.153 ( 10.358 13.801 1.575) 17.327 9.524 ( 14.236 15.656 -17.296) 27.330 12.552 ( -4.211 -7.043 2.667) 8.628 13.031 ( -7.104 4.835 -5.875) 10.409 ======================= Grid point 640 (226/489) ======================= q-point: ( 0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 9.486 7.564 13.702) 18.301 1.400 ( 12.751 14.441 7.299) 20.601 2.459 ( 20.264 25.477 3.224) 32.712 4.063 ( 8.040 2.015 -2.993) 8.812 4.445 ( 9.783 16.505 -0.565) 19.194 6.558 ( -3.158 -4.767 2.327) 6.174 6.827 ( -11.826 19.651 -3.330) 23.175 7.801 ( 35.837 -7.191 -0.014) 36.552 8.543 ( 10.908 21.776 2.057) 24.442 9.858 ( 16.919 6.748 -2.289) 18.358 12.376 ( -7.935 -8.235 2.103) 11.628 12.913 ( -7.753 4.243 -8.634) 12.355 ======================= Grid point 641 (227/489) ======================= q-point: ( 0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 11.776 7.657 7.253) 15.809 1.781 ( 11.014 15.272 4.714) 19.411 3.050 ( 21.031 18.661 -1.744) 28.170 4.200 ( 4.571 4.862 -1.270) 6.793 4.842 ( 16.378 14.811 1.272) 22.118 6.455 ( -3.953 -5.053 2.694) 6.959 6.831 ( -9.591 21.093 -5.130) 23.732 8.327 ( 32.693 -6.501 -0.795) 33.342 8.912 ( 8.274 15.263 0.796) 17.380 10.275 ( 20.364 9.344 6.391) 23.299 12.130 ( -11.168 -8.298 1.881) 14.040 12.809 ( -4.238 3.609 -10.124) 11.554 ======================= Grid point 642 (228/489) ======================= q-point: ( 0.41 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 11.682 6.510 1.921) 13.511 2.120 ( 8.594 14.928 2.830) 17.455 3.547 ( 19.047 12.595 -4.858) 23.345 4.316 ( 2.208 6.911 -0.072) 7.255 5.289 ( 17.734 11.983 2.446) 21.543 6.340 ( -4.472 -4.892 3.132) 7.331 6.878 ( -7.179 21.100 -5.960) 23.071 8.812 ( 27.230 -1.022 -0.035) 27.250 9.158 ( 7.629 6.618 2.478) 10.399 10.744 ( 18.514 9.235 1.521) 20.745 11.848 ( -12.870 -6.499 4.216) 15.022 12.777 ( 0.833 2.689 -8.684) 9.129 ======================= Grid point 643 (229/489) ======================= q-point: ( 0.47 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 9.938 4.629 -1.904) 11.127 2.398 ( 5.774 13.545 1.642) 14.815 3.934 ( 16.091 7.602 -6.659) 19.002 4.416 ( 0.317 8.244 0.708) 8.281 5.697 ( 15.543 8.527 2.825) 17.952 6.225 ( -4.617 -4.569 3.800) 7.525 6.956 ( -5.752 20.650 -6.348) 22.356 9.240 ( 19.253 2.103 2.509) 19.529 9.372 ( 11.364 3.999 2.958) 12.405 10.994 ( 3.498 -0.589 -15.348) 15.753 11.669 ( -4.118 1.272 13.200) 13.886 12.826 ( 4.812 1.301 -4.975) 7.043 ======================= Grid point 644 (230/489) ======================= q-point: ( 0.53 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 7.509 2.594 -3.910) 8.854 2.603 ( 2.696 11.522 1.064) 11.881 4.218 ( 12.861 3.673 -7.375) 15.274 4.496 ( -1.357 8.865 0.878) 9.011 6.002 ( 9.199 4.058 1.120) 10.116 6.127 ( -2.157 -3.221 6.346) 7.436 7.040 ( -5.637 19.911 -6.558) 21.708 9.505 ( 11.743 -2.919 5.379) 13.242 9.692 ( 14.811 8.819 0.355) 17.241 10.772 ( -13.217 -5.775 -18.727) 23.638 11.798 ( 6.467 4.085 9.918) 12.525 12.917 ( 6.010 -0.510 -1.506) 6.217 ======================= Grid point 645 (231/489) ======================= q-point: ( 0.59 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 5.037 0.772 -4.225) 6.620 2.730 ( -0.655 9.282 0.872) 9.346 4.405 ( 8.570 0.919 -6.370) 10.718 4.552 ( -2.240 8.270 -0.361) 8.575 5.999 ( -3.192 -2.550 2.057) 4.574 6.239 ( 6.105 0.726 6.180) 8.718 7.106 ( -6.660 18.907 -6.623) 21.111 9.639 ( 8.091 -9.586 1.188) 12.600 10.031 ( 12.804 10.629 -0.158) 16.641 10.397 ( -16.873 -0.812 -14.861) 22.500 11.957 ( 5.281 -0.005 5.142) 7.371 13.000 ( 5.090 -2.262 0.315) 5.579 ======================= Grid point 646 (232/489) ======================= q-point: (-0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 2.218 -0.971 -3.723) 4.441 2.772 ( -4.378 7.097 0.790) 8.376 4.487 ( 1.889 0.756 -2.762) 3.431 4.579 ( -1.634 4.685 -3.653) 6.161 5.944 ( -1.483 -1.345 2.644) 3.316 6.314 ( 0.853 -2.547 5.948) 6.526 7.138 ( -8.245 17.733 -6.393) 20.575 9.554 ( -0.784 -16.920 -8.410) 18.911 10.114 ( -15.164 8.022 -5.485) 18.011 10.360 ( 13.866 8.774 -2.629) 16.618 11.999 ( 0.040 -4.641 3.568) 5.854 13.052 ( 3.955 -3.342 1.222) 5.320 ======================= Grid point 647 (233/489) ======================= q-point: (-0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -1.748 -3.007 -3.378) 4.849 2.724 ( -8.513 5.063 0.599) 9.923 4.477 ( -2.954 0.684 -0.993) 3.190 4.547 ( -3.845 0.765 -4.415) 5.904 5.945 ( 1.200 0.193 2.354) 2.649 6.257 ( -4.964 -5.908 5.683) 9.583 7.132 ( -9.742 16.801 -5.719) 20.245 9.292 ( -4.310 -14.503 -12.170) 19.418 9.924 ( -14.759 4.811 0.105) 15.523 10.661 ( 12.331 7.801 -8.078) 16.678 11.890 ( -6.393 -7.968 4.539) 11.178 13.088 ( 3.663 -3.568 2.275) 5.597 ======================= Grid point 648 (234/489) ======================= q-point: (-0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -6.813 -5.232 -3.353) 9.221 2.580 ( -12.889 3.185 0.245) 13.279 4.375 ( -6.346 -5.824 -2.889) 9.085 4.443 ( -8.012 3.453 -1.423) 8.839 5.995 ( 1.055 -0.082 3.107) 3.282 6.071 ( -8.157 -7.526 3.602) 11.669 7.102 ( -10.843 16.735 -4.607) 20.466 9.076 ( -1.105 -10.230 -9.606) 14.077 9.668 ( -16.990 -1.343 1.451) 17.105 10.828 ( 2.088 3.687 -16.574) 17.107 11.704 ( -5.958 -6.555 8.685) 12.405 13.129 ( 3.829 -3.280 3.503) 6.140 ======================= Grid point 649 (235/489) ======================= q-point: (-0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -11.867 -7.000 -2.991) 14.099 2.341 ( -17.044 1.502 -0.102) 17.111 4.110 ( -13.792 -9.374 -2.119) 16.810 4.334 ( -8.352 3.720 -1.539) 9.272 5.741 ( -15.601 -10.779 5.002) 19.612 6.109 ( 5.342 1.678 0.245) 5.605 7.064 ( -11.616 17.680 -3.274) 21.406 8.975 ( 2.625 -9.421 -4.687) 10.846 9.324 ( -17.099 -7.110 1.222) 18.559 10.607 ( -19.672 -2.264 -18.074) 26.810 11.710 ( 6.281 0.345 7.281) 9.622 13.179 ( 3.777 -2.956 4.178) 6.361 ======================= Grid point 650 (236/489) ======================= q-point: (-0.12 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -15.823 -7.680 -1.453) 17.648 2.020 ( -20.382 0.174 -0.084) 20.383 3.691 ( -21.689 -11.285 -0.487) 24.454 4.216 ( -8.214 3.395 -2.720) 9.295 5.343 ( -18.309 -11.424 3.996) 21.948 6.231 ( 6.237 2.049 0.270) 6.570 7.033 ( -12.072 19.224 -1.892) 22.778 8.775 ( -10.299 -23.447 -0.446) 25.613 9.068 ( -4.138 -3.061 -0.249) 5.153 10.096 ( -28.034 2.026 -13.519) 31.189 11.907 ( 10.882 2.798 2.875) 11.598 13.225 ( 3.188 -3.067 3.537) 5.664 ======================= Grid point 656 (237/489) ======================= q-point: ( 0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -0.000 16.156 10.298) 19.159 1.083 ( -0.000 8.260 19.860) 21.509 2.108 ( -0.000 34.481 7.987) 35.394 3.827 ( 0.000 1.943 -5.632) 5.957 4.337 ( 0.000 18.246 -1.580) 18.314 6.662 ( -0.000 -9.617 4.610) 10.665 6.779 ( 0.000 -0.524 -0.381) 0.648 7.398 ( 0.000 34.188 -2.194) 34.258 8.145 ( -0.000 12.830 1.484) 12.916 9.495 ( 0.000 11.203 -11.685) 16.188 12.515 ( -0.000 -9.209 2.668) 9.588 13.136 ( 0.000 4.958 -6.346) 8.053 ======================= Grid point 657 (238/489) ======================= q-point: ( 0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 3.332 9.053 15.824) 18.532 1.372 ( 10.289 16.276 7.825) 20.785 2.528 ( 6.949 31.110 2.592) 31.981 3.916 ( 8.239 3.476 -4.318) 9.930 4.544 ( 1.910 20.511 -0.046) 20.600 6.556 ( -2.142 -6.498 2.605) 7.321 6.999 ( 20.767 -0.606 -1.857) 20.859 7.534 ( -14.337 27.470 -2.557) 31.092 8.515 ( 16.597 19.423 2.165) 25.640 9.641 ( 11.460 4.477 -3.647) 12.832 12.391 ( -3.703 -10.273 2.379) 11.176 13.086 ( -7.678 4.938 -7.340) 11.714 ======================= Grid point 658 (239/489) ======================= q-point: ( 0.35 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 6.782 8.748 9.789) 14.776 1.765 ( 12.059 16.876 5.227) 21.390 2.971 ( 11.336 24.063 -1.963) 26.671 4.114 ( 9.825 5.251 -2.839) 11.496 4.827 ( 6.448 20.378 2.078) 21.475 6.463 ( -2.482 -6.210 2.609) 7.179 7.293 ( -5.763 24.773 -5.088) 25.939 7.680 ( 22.431 -0.115 -1.997) 22.520 8.924 ( 8.182 13.812 2.142) 16.196 9.993 ( 22.150 6.724 2.532) 23.286 12.205 ( -6.726 -9.819 2.717) 12.208 12.951 ( -9.399 5.019 -8.394) 13.564 ======================= Grid point 659 (240/489) ======================= q-point: ( 0.41 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 8.812 7.273 3.885) 12.068 2.148 ( 9.626 17.739 3.165) 20.429 3.381 ( 13.454 16.137 -4.773) 21.545 4.321 ( 6.724 8.182 -1.459) 10.690 5.182 ( 11.009 16.902 3.346) 20.447 6.362 ( -3.114 -5.931 2.905) 7.301 7.342 ( -15.701 31.781 -5.628) 35.892 8.200 ( 36.591 -4.605 -2.627) 36.973 9.126 ( 4.472 5.232 4.260) 8.095 10.482 ( 21.801 7.777 -0.050) 23.147 11.992 ( -8.865 -7.115 5.012) 12.423 12.826 ( -6.130 4.033 -8.182) 10.990 ======================= Grid point 660 (241/489) ======================= q-point: ( 0.47 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 8.941 5.127 -0.742) 10.333 2.472 ( 5.791 17.753 1.760) 18.757 3.727 ( 13.732 9.267 -6.229) 17.698 4.499 ( 2.744 11.126 -0.204) 11.461 5.552 ( 12.758 11.648 3.584) 17.644 6.257 ( -3.521 -5.482 3.261) 7.286 7.380 ( -13.873 31.318 -5.828) 34.746 8.783 ( 33.141 -0.820 -2.011) 33.212 9.263 ( 6.123 1.410 5.697) 8.482 10.818 ( 11.379 1.506 -10.606) 15.628 11.826 ( -7.128 -0.899 10.339) 12.590 12.772 ( -0.316 1.566 -5.651) 5.872 ======================= Grid point 661 (242/489) ======================= q-point: ( 0.53 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 7.808 2.888 -3.550) 9.051 2.718 ( 1.891 16.648 1.059) 16.789 4.003 ( 12.766 4.303 -6.847) 15.112 4.637 ( -0.947 12.777 0.522) 12.822 5.871 ( 11.457 6.362 3.182) 13.485 6.155 ( -3.327 -4.982 3.999) 7.203 7.443 ( -12.473 30.653 -6.024) 33.638 9.258 ( 18.702 -2.424 3.319) 19.148 9.459 ( 15.546 3.512 0.199) 15.939 10.814 ( -3.472 -3.008 -17.112) 17.718 11.821 ( -0.365 3.224 11.223) 11.682 12.798 ( 4.510 -1.781 -2.016) 5.251 ======================= Grid point 662 (243/489) ======================= q-point: ( 0.59 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 6.168 0.973 -4.463) 7.675 2.882 ( -1.697 14.841 0.878) 14.963 4.212 ( 10.907 0.966 -6.939) 12.963 4.725 ( -4.081 12.902 0.634) 13.547 6.024 ( -1.202 -1.559 0.514) 2.035 6.142 ( 6.773 -1.022 7.135) 9.891 7.511 ( -12.566 29.877 -6.262) 33.011 9.418 ( 7.597 -8.649 2.971) 11.889 9.830 ( 18.088 5.775 -4.007) 19.406 10.614 ( -10.508 3.129 -13.689) 17.538 11.898 ( 2.618 -0.370 6.948) 7.435 12.861 ( 6.290 -4.815 0.379) 7.930 ======================= Grid point 663 (244/489) ======================= q-point: ( 0.65 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 4.130 -0.593 -4.128) 5.870 2.964 ( -5.189 12.843 0.863) 13.879 4.352 ( 8.073 -1.579 -6.572) 10.529 4.758 ( -6.661 11.917 0.377) 13.658 5.966 ( -2.052 -2.164 1.930) 3.552 6.259 ( 4.555 -3.250 6.167) 8.327 7.554 ( -13.744 28.476 -6.272) 32.235 9.379 ( 0.789 -12.787 -4.662) 13.633 10.122 ( 11.984 1.109 -5.056) 13.054 10.481 ( -9.516 14.643 -6.342) 18.579 11.932 ( 2.178 -5.851 4.471) 7.679 12.915 ( 6.165 -6.701 1.280) 9.195 ======================= Grid point 664 (245/489) ======================= q-point: (-0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 1.040 -2.086 -3.566) 4.260 2.964 ( -8.931 10.893 0.721) 14.104 4.410 ( 4.032 -3.935 -5.755) 8.053 4.736 ( -8.761 10.419 0.082) 13.613 5.939 ( 0.045 -0.912 2.141) 2.328 6.266 ( -0.736 -6.377 5.904) 8.722 7.560 ( -14.799 26.612 -5.666) 30.973 9.191 ( -4.126 -11.089 -9.351) 15.081 10.167 ( -5.528 -0.786 -2.035) 5.943 10.569 ( 3.572 15.051 -6.760) 16.882 11.881 ( -1.056 -9.413 4.273) 10.392 12.955 ( 6.019 -7.200 1.796) 9.555 ======================= Grid point 665 (246/489) ======================= q-point: (-0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -3.492 -3.520 -3.254) 5.931 2.875 ( -13.054 8.924 0.384) 15.818 4.366 ( -1.305 -6.116 -4.717) 7.833 4.666 ( -10.276 8.871 -0.169) 13.577 5.964 ( 2.404 0.172 1.881) 3.057 6.145 ( -6.604 -8.790 5.379) 12.240 7.543 ( -15.004 25.787 -4.332) 30.147 8.988 ( -4.061 -7.210 -8.968) 12.202 9.947 ( -15.676 -4.186 0.240) 16.227 10.763 ( 5.594 10.491 -12.183) 17.023 11.748 ( -4.468 -9.405 6.581) 12.318 12.999 ( 6.303 -6.632 2.343) 9.445 ======================= Grid point 666 (247/489) ======================= q-point: (-0.18 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -8.742 -4.360 -2.762) 10.152 2.690 ( -17.261 6.769 0.021) 18.541 4.203 ( -7.813 -7.547 -3.677) 11.469 4.559 ( -11.046 7.353 -0.613) 13.283 5.900 ( -12.361 -10.043 5.015) 16.698 6.037 ( 4.498 0.757 1.095) 4.691 7.533 ( -15.175 27.076 -2.872) 31.171 8.849 ( -1.327 -6.587 -5.897) 8.940 9.557 ( -19.209 -11.203 0.368) 22.240 10.810 ( -7.060 7.608 -15.763) 18.873 11.650 ( 0.865 -5.276 8.904) 10.386 13.057 ( 6.300 -5.703 2.394) 8.829 ======================= Grid point 667 (248/489) ======================= q-point: (-0.12 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -13.467 -3.960 -1.305) 14.098 2.412 ( -20.840 4.482 -0.020) 21.316 3.913 ( -15.235 -7.656 -2.603) 17.248 4.429 ( -11.005 5.961 -1.313) 12.585 5.558 ( -16.714 -9.800 4.081) 19.800 6.142 ( 5.931 1.175 1.117) 6.149 7.538 ( -15.994 29.654 -2.000) 33.752 8.681 ( -6.742 -19.241 -3.132) 20.627 9.147 ( -11.340 -7.916 0.200) 13.831 10.561 ( -22.581 7.567 -10.381) 25.979 11.748 ( 9.583 -1.072 4.972) 10.849 13.113 ( 5.468 -5.186 1.233) 7.637 ======================= Grid point 674 (249/489) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -0.000 9.794 14.440) 17.448 1.471 ( -0.000 17.096 7.189) 18.546 2.795 ( 0.000 30.319 -0.362) 30.321 3.868 ( 0.000 5.406 -3.536) 6.460 4.752 ( 0.000 22.966 0.304) 22.968 6.515 ( -0.000 -7.868 3.130) 8.467 6.738 ( 0.000 -1.991 -3.323) 3.874 8.135 ( 0.000 39.004 -3.694) 39.179 8.470 ( -0.000 17.300 2.709) 17.510 9.552 ( -0.000 -0.054 0.255) 0.260 12.321 ( -0.000 -11.180 2.117) 11.378 13.174 ( 0.000 3.799 -7.591) 8.489 ======================= Grid point 675 (250/489) ======================= q-point: ( 0.35 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 1.720 9.465 10.124) 13.966 1.755 ( 9.392 16.689 5.559) 19.941 3.101 ( 2.942 25.786 -3.629) 26.206 3.996 ( 8.007 6.672 -2.224) 10.658 5.001 ( 1.074 23.711 1.621) 23.790 6.438 ( -1.211 -6.887 2.866) 7.557 6.927 ( 24.096 -2.849 -4.553) 24.687 8.143 ( -24.471 32.235 -2.574) 40.553 8.912 ( 12.069 17.021 1.829) 20.946 9.696 ( 16.798 2.123 3.475) 17.285 12.192 ( -2.800 -10.460 2.316) 11.074 13.119 ( -6.771 3.719 -7.891) 11.043 ======================= Grid point 676 (251/489) ======================= q-point: ( 0.41 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 4.123 8.100 4.877) 10.315 2.138 ( 12.394 16.498 3.663) 20.957 3.384 ( 5.105 19.382 -5.606) 20.812 4.235 ( 10.810 8.032 -1.233) 13.523 5.275 ( 2.927 21.673 2.890) 22.059 6.354 ( -1.962 -6.289 3.028) 7.250 7.426 ( 35.868 -1.381 -5.885) 36.374 8.049 ( -20.867 30.618 -2.376) 37.129 9.133 ( 2.566 5.043 5.098) 7.616 10.150 ( 24.142 7.054 0.171) 25.152 12.045 ( -4.320 -7.818 4.071) 9.816 12.984 ( -9.170 3.802 -7.607) 12.506 ======================= Grid point 677 (252/489) ======================= q-point: ( 0.47 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 5.846 6.055 0.266) 8.421 2.520 ( 10.337 16.755 2.089) 19.798 3.629 ( 7.027 12.444 -6.267) 15.605 4.504 ( 9.214 10.296 -0.401) 13.823 5.550 ( 4.888 16.535 3.350) 17.564 6.265 ( -2.629 -5.617 3.112) 6.939 7.952 ( -6.039 28.175 -7.717) 29.830 8.129 ( 27.962 2.485 -0.506) 28.077 9.222 ( 2.569 1.159 6.831) 7.390 10.560 ( 16.731 2.671 -7.032) 18.344 11.935 ( -3.758 -3.107 7.815) 9.211 12.844 ( -7.285 2.623 -6.127) 9.874 ======================= Grid point 678 (253/489) ======================= q-point: ( 0.53 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 6.265 3.872 -2.801) 7.879 2.837 ( 5.653 16.885 1.098) 17.840 3.838 ( 8.727 6.328 -6.175) 12.423 4.746 ( 4.738 12.823 0.205) 13.672 5.795 ( 6.596 9.635 3.407) 12.163 6.172 ( -3.082 -5.011 3.035) 6.619 7.997 ( -15.249 31.867 -4.615) 35.628 8.755 ( 35.487 -0.270 -2.409) 35.570 9.312 ( 5.123 -0.052 5.182) 7.287 10.719 ( 5.404 -0.836 -12.936) 14.044 11.912 ( -1.827 0.844 9.935) 10.137 12.750 ( -2.425 -0.696 -3.293) 4.148 ======================= Grid point 679 (254/489) ======================= q-point: ( 0.59 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 5.766 1.974 -4.056) 7.321 3.062 ( 0.566 16.363 0.746) 16.390 4.017 ( 9.568 1.689 -5.896) 11.365 4.920 ( -0.827 14.550 0.416) 14.580 5.990 ( 6.074 3.213 2.514) 7.317 6.085 ( -1.803 -4.788 3.978) 6.481 8.046 ( -13.955 31.185 -4.819) 34.503 9.192 ( 13.502 -5.930 2.857) 15.021 9.517 ( 18.945 3.732 -3.779) 19.675 10.704 ( -1.434 3.554 -12.150) 12.740 11.922 ( -1.891 -0.294 7.667) 7.902 12.719 ( 2.793 -5.296 -0.268) 5.993 ======================= Grid point 680 (255/489) ======================= q-point: ( 0.65 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 4.700 0.505 -3.933) 6.149 3.194 ( -3.842 15.141 0.748) 15.639 4.160 ( 8.977 -1.624 -5.612) 10.711 5.012 ( -5.779 14.791 0.340) 15.884 5.987 ( -2.543 -2.309 1.065) 3.596 6.143 ( 6.466 -3.827 5.649) 9.401 8.088 ( -14.567 29.343 -5.314) 33.188 9.234 ( 2.637 -8.799 -0.091) 9.186 9.876 ( 16.307 3.509 -7.169) 18.156 10.710 ( -2.789 12.516 -6.786) 14.508 11.881 ( -1.937 -5.528 5.074) 7.749 12.728 ( 5.929 -8.836 1.384) 10.731 ======================= Grid point 681 (256/489) ======================= q-point: (-0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 2.773 -0.649 -3.336) 4.386 3.240 ( -7.731 13.391 0.683) 15.477 4.252 ( 6.780 -3.959 -5.195) 9.415 5.022 ( -9.389 13.505 0.232) 16.449 5.939 ( -0.908 -1.656 1.349) 2.320 6.196 ( 3.241 -6.969 5.412) 9.400 8.081 ( -15.392 24.957 -4.751) 29.704 9.155 ( -2.750 -3.597 -4.805) 6.602 10.074 ( 7.834 -1.023 -7.191) 10.684 10.784 ( -5.371 17.688 -3.311) 18.780 11.793 ( -0.094 -10.635 4.106) 11.401 12.754 ( 7.329 -10.044 1.862) 12.573 ======================= Grid point 682 (257/489) ======================= q-point: (-0.24 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -0.552 -1.504 -2.912) 3.324 3.197 ( -11.605 11.032 0.382) 16.016 4.274 ( 2.946 -5.304 -4.651) 7.645 4.962 ( -11.605 11.118 0.217) 16.072 5.935 ( 1.248 -0.798 1.263) 1.947 6.150 ( -1.711 -8.644 5.053) 10.158 8.037 ( -13.889 20.865 -2.469) 25.187 9.044 ( -7.694 4.136 -7.279) 11.371 10.051 ( -3.977 -7.952 -4.875) 10.140 10.847 ( -4.280 16.052 -5.580) 17.525 11.704 ( 0.304 -10.751 5.158) 11.929 12.799 ( 8.166 -9.056 1.876) 12.338 ======================= Grid point 683 (258/489) ======================= q-point: (-0.18 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -5.078 -1.676 -2.517) 5.910 3.056 ( -15.594 7.816 0.015) 17.443 4.211 ( -2.382 -5.259 -4.213) 7.148 4.847 ( -12.619 8.136 0.209) 15.016 5.966 ( 0.866 -2.742 0.127) 2.878 6.007 ( -4.998 -6.101 5.425) 9.572 8.021 ( -11.017 20.235 0.502) 23.046 8.915 ( -10.575 6.643 -7.448) 14.541 9.737 ( -15.886 -14.695 -2.519) 21.786 10.926 ( -1.342 13.060 -10.447) 16.778 11.622 ( -1.045 -8.055 8.198) 11.540 12.870 ( 8.320 -6.937 1.316) 10.912 ======================= Grid point 684 (259/489) ======================= q-point: (-0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -9.779 -0.662 -1.518) 9.918 2.810 ( -19.184 3.992 -0.052) 19.595 4.054 ( -8.859 -3.556 -3.951) 10.331 4.692 ( -12.591 4.961 0.063) 13.533 5.748 ( -12.808 -6.896 3.074) 14.868 6.059 ( 4.970 0.348 1.892) 5.329 8.059 ( -9.571 21.016 2.245) 23.202 8.709 ( -15.376 -2.982 -6.873) 17.104 9.286 ( -15.269 -11.221 -0.621) 18.959 10.922 ( -10.887 11.717 -10.098) 18.915 11.606 ( 4.813 -5.573 8.501) 11.247 12.949 ( 7.221 -5.119 -0.298) 8.857 ======================= Grid point 692 (260/489) ======================= q-point: ( 0.35 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -0.000 9.046 8.163) 12.185 1.853 ( -0.000 16.326 4.750) 17.003 3.315 ( 0.000 23.337 -5.590) 23.997 3.991 ( 0.000 8.026 -0.874) 8.074 5.247 ( -0.000 24.841 1.364) 24.879 6.390 ( -0.000 -6.719 3.260) 7.468 6.665 ( 0.000 -1.982 -5.060) 5.435 8.842 ( 0.000 32.094 -4.601) 32.422 8.859 ( -0.000 18.870 2.809) 19.077 9.536 ( -0.000 -3.068 6.840) 7.497 12.121 ( -0.000 -9.348 2.085) 9.577 13.182 ( 0.000 2.552 -7.921) 8.322 ======================= Grid point 693 (261/489) ======================= q-point: ( 0.41 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 0.504 8.043 4.411) 9.186 2.112 ( 9.019 15.254 3.533) 18.069 3.515 ( 0.741 19.130 -6.585) 20.245 4.145 ( 7.687 8.607 0.092) 11.540 5.496 ( -0.264 23.446 1.569) 23.500 6.330 ( -0.984 -5.824 3.478) 6.854 6.841 ( 23.390 -1.851 -5.466) 24.091 8.740 ( -22.655 27.316 -1.335) 35.513 9.176 ( 1.332 6.502 5.178) 8.418 9.806 ( 22.749 6.778 1.612) 23.792 12.033 ( -1.616 -6.506 2.888) 7.300 13.125 ( -5.740 2.393 -7.473) 9.722 ======================= Grid point 694 (262/489) ======================= q-point: ( 0.47 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 2.055 6.581 0.661) 6.926 2.470 ( 12.946 14.134 2.234) 19.297 3.677 ( 1.213 14.212 -6.460) 15.659 4.410 ( 11.543 9.097 0.561) 14.707 5.712 ( -0.549 19.154 1.663) 19.234 6.264 ( -1.966 -4.610 3.483) 6.103 7.353 ( 37.565 -1.006 -5.565) 37.988 8.624 ( -19.834 24.463 0.248) 31.494 9.246 ( 0.063 3.766 6.431) 7.453 10.251 ( 19.793 4.103 -3.967) 20.600 11.969 ( -1.622 -2.791 4.974) 5.929 12.995 ( -8.533 2.296 -6.208) 10.800 ======================= Grid point 695 (263/489) ======================= q-point: ( 0.53 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 3.478 4.858 -1.964) 6.290 2.839 ( 11.989 13.485 1.209) 18.085 3.802 ( 2.185 9.169 -5.650) 10.989 4.714 ( 11.528 9.977 0.723) 15.263 5.870 ( -0.347 12.394 1.808) 12.530 6.192 ( -3.104 -3.124 2.947) 5.299 8.035 ( 41.004 0.833 -6.140) 41.469 8.558 ( -14.197 21.333 2.804) 25.778 9.305 ( -0.395 4.305 4.224) 6.044 10.529 ( 11.965 1.022 -8.110) 14.491 11.957 ( -0.449 -0.704 7.001) 7.051 12.843 ( -8.429 0.989 -4.217) 9.477 ======================= Grid point 696 (264/489) ======================= q-point: ( 0.59 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 4.099 3.199 -3.108) 6.058 3.153 ( 7.627 13.545 0.665) 15.559 3.902 ( 3.922 4.080 -4.722) 7.370 5.000 ( 7.897 11.643 0.598) 14.081 5.967 ( 1.245 4.232 2.671) 5.157 6.112 ( -4.207 -1.754 1.798) 4.899 8.505 ( -4.390 18.076 -6.325) 19.647 8.766 ( 28.092 3.024 4.600) 28.627 9.354 ( 2.136 3.330 0.008) 3.956 10.669 ( 5.590 4.703 -9.172) 11.726 11.965 ( -0.749 -2.035 6.984) 7.313 12.698 ( -5.778 -2.468 -1.880) 6.558 ======================= Grid point 697 (265/489) ======================= q-point: ( 0.65 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 4.021 1.823 -3.062) 5.373 3.375 ( 1.517 14.020 0.617) 14.115 3.990 ( 6.071 -0.800 -4.118) 7.379 5.213 ( 1.185 13.799 0.209) 13.852 6.018 ( 0.450 -4.650 3.836) 6.044 6.033 ( -0.923 0.045 0.763) 1.198 8.547 ( -9.270 19.379 -4.610) 21.972 9.097 ( 6.915 -4.955 4.700) 9.719 9.584 ( 18.895 7.845 -6.460) 21.455 10.792 ( 3.293 11.370 -6.765) 13.634 11.913 ( -4.058 -5.158 5.203) 8.375 12.586 ( -0.639 -7.575 0.340) 7.609 ======================= Grid point 698 (266/489) ======================= q-point: ( 0.71 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 3.249 0.803 -2.541) 4.202 3.490 ( -4.553 13.450 0.661) 14.216 4.069 ( 7.294 -4.069 -3.782) 9.169 5.311 ( -6.383 14.400 -0.046) 15.751 5.951 ( -2.341 -1.828 0.445) 3.004 6.062 ( 4.849 -7.693 4.268) 10.045 8.515 ( -12.400 14.328 -3.873) 19.340 9.141 ( 2.919 -0.133 1.207) 3.162 9.918 ( 10.235 7.789 -8.713) 15.535 10.970 ( 2.773 15.257 -2.396) 15.691 11.757 ( -6.481 -9.289 3.258) 11.786 12.534 ( 5.115 -11.053 1.726) 12.300 ======================= Grid point 699 (267/489) ======================= q-point: (-0.24 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 1.407 0.222 -2.178) 2.602 3.491 ( -9.325 10.354 0.372) 13.939 4.131 ( 6.022 -4.326 -3.503) 8.201 5.283 ( -11.545 11.454 0.207) 16.264 5.914 ( 0.006 -1.552 0.144) 1.558 6.066 ( 3.053 -8.645 4.178) 10.075 8.403 ( -11.945 9.264 0.017) 15.117 9.209 ( -0.841 8.910 -3.963) 9.787 10.007 ( -1.901 1.636 -8.896) 9.243 11.115 ( -5.721 15.575 -0.642) 16.605 11.583 ( 0.108 -11.990 3.168) 12.402 12.556 ( 8.824 -10.137 1.814) 13.561 ======================= Grid point 700 (268/489) ======================= q-point: (-0.18 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -1.697 0.345 -2.036) 2.673 3.375 ( -13.050 5.207 -0.074) 14.051 4.160 ( 2.140 -2.031 -3.514) 4.588 5.152 ( -13.449 6.213 0.725) 14.832 5.917 ( 1.729 -1.643 -0.092) 2.387 6.021 ( -1.196 -5.986 3.820) 7.201 8.317 ( -8.202 7.565 4.456) 12.015 9.222 ( -8.913 13.096 -7.916) 17.709 9.822 ( -12.268 -7.518 -6.099) 15.628 11.091 ( -7.371 10.221 -4.837) 13.498 11.557 ( 3.308 -6.879 6.785) 10.213 12.645 ( 9.932 -6.222 0.859) 11.751 ======================= Grid point 701 (269/489) ======================= q-point: (-0.12 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -5.551 1.477 -1.679) 5.985 3.142 ( -16.240 -0.095 -0.219) 16.242 4.133 ( -3.444 1.307 -4.038) 5.466 4.954 ( -13.393 0.961 1.091) 13.472 5.874 ( -5.926 -2.835 0.986) 6.643 5.996 ( 2.609 -0.666 2.576) 3.726 8.282 ( -5.490 1.898 6.699) 8.867 9.067 ( -17.466 6.358 -8.767) 20.551 9.470 ( -16.775 -1.410 -2.784) 17.063 11.092 ( -1.256 8.985 -9.698) 13.280 11.550 ( -0.670 -5.437 10.938) 12.233 12.767 ( 8.635 -2.603 -0.906) 9.064 ======================= Grid point 710 (270/489) ======================= q-point: ( 0.41 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -0.000 7.237 2.628) 7.699 2.189 ( -0.000 14.145 2.743) 14.409 3.669 ( 0.000 16.588 -6.758) 17.912 4.166 ( -0.000 8.889 1.160) 8.964 5.738 ( 0.000 22.078 0.168) 22.079 6.300 ( -0.000 -4.329 4.026) 5.911 6.596 ( 0.000 -1.112 -5.008) 5.130 9.252 ( -0.000 17.905 2.085) 18.026 9.252 ( -0.000 5.217 6.451) 8.297 9.606 ( 0.000 10.295 -1.219) 10.367 12.004 ( -0.000 -3.414 2.495) 4.229 13.169 ( 0.000 1.527 -7.103) 7.265 ======================= Grid point 711 (271/489) ======================= q-point: ( 0.47 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -0.240 6.347 0.363) 6.362 2.413 ( 8.722 12.442 1.856) 15.308 3.793 ( -0.506 13.317 -6.011) 14.619 4.328 ( 7.510 8.516 1.493) 11.452 5.921 ( -1.448 16.317 -0.697) 16.396 6.275 ( -1.375 -0.832 4.209) 4.505 6.781 ( 23.171 -0.395 -4.535) 23.614 9.122 ( -15.875 3.387 9.061) 18.590 9.362 ( -2.649 14.956 1.342) 15.249 9.950 ( 18.440 7.085 -3.417) 20.048 11.988 ( -0.865 0.008 2.950) 3.074 13.114 ( -4.942 1.356 -6.020) 7.906 ======================= Grid point 712 (272/489) ======================= q-point: ( 0.53 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 0.676 5.321 -1.227) 5.502 2.732 ( 13.266 10.564 1.071) 16.992 3.878 ( -1.018 9.969 -4.776) 11.100 4.591 ( 12.053 7.779 1.334) 14.407 6.006 ( -1.897 6.974 -0.276) 7.233 6.263 ( -3.835 4.435 2.966) 6.570 7.315 ( 37.855 0.721 -4.105) 38.084 8.937 ( -11.937 2.552 9.979) 15.766 9.457 ( -4.603 15.125 -0.793) 15.829 10.278 ( 15.589 2.372 -4.203) 16.319 11.990 ( -1.292 1.226 3.702) 4.108 12.991 ( -8.135 1.124 -4.377) 9.306 ======================= Grid point 713 (273/489) ======================= q-point: ( 0.59 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 1.795 4.119 -1.793) 4.838 3.074 ( 13.635 9.108 0.524) 16.405 3.927 ( -1.232 6.610 -3.381) 7.526 4.899 ( 13.571 7.345 1.004) 15.463 6.010 ( -1.540 0.295 1.002) 1.861 6.234 ( -6.693 5.939 0.868) 8.990 8.021 ( 40.930 1.689 -4.863) 41.252 8.843 ( -5.375 2.345 10.815) 12.302 9.486 ( -7.069 12.180 -2.471) 14.298 10.538 ( 12.328 5.268 -5.071) 14.333 11.980 ( -1.790 -1.403 4.222) 4.796 12.827 ( -9.792 -0.007 -2.679) 10.152 ======================= Grid point 714 (274/489) ======================= q-point: ( 0.65 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 2.464 2.909 -1.589) 4.130 3.383 ( 11.059 8.745 0.325) 14.103 3.943 ( -1.089 2.706 -2.267) 3.694 5.206 ( 11.927 7.922 0.538) 14.328 5.979 ( -0.868 -2.856 2.043) 3.617 6.150 ( -8.270 3.146 -0.470) 8.861 8.599 ( 19.358 2.362 -8.698) 21.353 8.922 ( 9.205 0.714 12.782) 15.768 9.489 ( -0.995 10.962 -2.781) 11.353 10.790 ( 8.711 11.970 -5.686) 15.859 11.919 ( -2.538 -6.686 4.439) 8.417 12.634 ( -9.834 -2.548 -1.311) 10.243 ======================= Grid point 715 (275/489) ======================= q-point: ( 0.71 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 2.606 1.922 -1.149) 3.436 3.630 ( 5.326 10.530 0.600) 11.816 3.930 ( 0.831 -2.755 -1.929) 3.464 5.461 ( 6.043 10.202 -0.144) 11.858 5.943 ( 0.558 -5.539 3.020) 6.334 6.015 ( -7.300 -1.147 -1.085) 7.468 8.736 ( -0.915 5.268 -4.750) 7.152 9.059 ( 3.593 -3.531 4.918) 7.040 9.775 ( 16.370 13.008 -1.912) 20.996 11.032 ( 4.977 15.434 -4.575) 16.849 11.786 ( -4.342 -10.630 3.767) 12.085 12.440 ( -5.995 -6.306 -0.047) 8.701 ======================= Grid point 716 (276/489) ======================= q-point: (-0.24 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 2.076 1.387 -0.956) 2.673 3.730 ( -6.932 8.467 0.739) 10.968 3.955 ( 8.303 -3.821 -2.047) 9.366 5.575 ( -7.347 11.348 -0.172) 13.520 5.880 ( 1.532 -8.776 -0.391) 8.918 5.939 ( 1.197 -2.968 2.377) 3.986 8.677 ( -10.259 5.969 1.697) 11.989 9.136 ( 8.645 -2.825 -2.948) 9.560 10.093 ( 3.044 12.700 -4.272) 13.741 11.238 ( 4.740 10.348 0.538) 11.395 11.579 ( -8.886 -8.761 0.686) 12.498 12.342 ( 3.666 -7.592 1.080) 8.500 ======================= Grid point 717 (277/489) ======================= q-point: (-0.18 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 0.583 1.525 -1.130) 1.985 3.605 ( -10.497 -0.793 -0.077) 10.527 4.081 ( 5.871 2.844 -1.907) 6.797 5.434 ( -13.758 0.958 0.927) 13.823 5.868 ( 2.158 -1.749 -1.111) 2.991 5.964 ( 3.063 -2.507 2.402) 4.630 8.562 ( -10.746 5.460 7.069) 13.974 9.231 ( 7.001 -4.499 -8.575) 11.949 10.079 ( -13.911 9.328 -4.813) 17.427 11.319 ( -12.130 0.008 -2.993) 12.494 11.427 ( 7.923 -1.155 5.893) 9.941 12.422 ( 9.919 -2.307 0.518) 10.197 ======================= Grid point 718 (278/489) ======================= q-point: (-0.12 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -1.863 2.470 -1.413) 3.401 3.366 ( -12.780 -5.826 -0.313) 14.049 4.179 ( 0.878 6.102 -2.925) 6.823 5.173 ( -13.284 -5.369 1.404) 14.396 5.893 ( 1.511 0.332 0.232) 1.564 5.987 ( -0.203 0.348 1.525) 1.577 8.440 ( -10.399 -2.170 8.290) 13.474 9.180 ( -2.137 -7.251 -7.892) 10.928 9.866 ( -18.539 12.675 -4.303) 22.866 11.134 ( -4.338 -1.891 -6.319) 7.895 11.554 ( 2.702 0.462 8.905) 9.317 12.602 ( 9.462 2.555 -0.850) 9.838 ======================= Grid point 728 (279/489) ======================= q-point: ( 0.47 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 0.000 5.748 -0.237) 5.753 2.456 ( -0.000 10.821 1.208) 10.889 3.905 ( 0.000 11.284 -4.710) 12.228 4.348 ( -0.000 7.715 1.718) 7.904 6.047 ( 0.000 6.212 -1.662) 6.430 6.340 ( -0.000 8.008 3.391) 8.697 6.555 ( 0.000 0.054 -3.069) 3.069 9.260 ( -0.000 -8.851 16.073) 18.349 9.595 ( -0.000 14.670 0.989) 14.703 9.826 ( 0.000 11.882 -7.799) 14.213 12.022 ( -0.000 3.119 1.905) 3.655 13.147 ( 0.000 0.831 -5.236) 5.301 ======================= Grid point 729 (280/489) ======================= q-point: ( 0.53 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -0.643 5.169 -0.521) 5.235 2.635 ( 8.414 8.680 0.648) 12.106 3.982 ( -1.262 8.967 -3.158) 9.590 4.492 ( 7.340 6.330 1.340) 9.785 6.059 ( -0.930 0.175 -0.454) 1.050 6.420 ( -3.200 10.477 0.981) 10.999 6.765 ( 23.259 1.217 -2.076) 23.383 9.128 ( -8.850 -7.995 15.031) 19.188 9.700 ( -3.707 15.801 -1.902) 16.341 10.036 ( 12.845 4.344 -3.499) 14.004 12.054 ( -1.565 4.112 1.426) 4.625 13.098 ( -4.474 0.714 -3.926) 5.995 ======================= Grid point 730 (281/489) ======================= q-point: ( 0.59 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -0.209 4.394 -0.256) 4.407 2.909 ( 13.326 6.390 0.260) 14.781 4.021 ( -2.302 6.765 -1.623) 7.328 4.727 ( 12.413 4.683 0.813) 13.292 6.030 ( -1.425 -1.467 0.252) 2.061 6.431 ( -6.500 8.082 -0.800) 10.403 7.323 ( 37.691 1.973 -1.711) 37.782 8.961 ( -6.809 -6.424 13.219) 16.197 9.745 ( -7.309 12.799 -2.409) 14.935 10.318 ( 15.991 3.928 -1.817) 16.566 12.045 ( -3.892 1.882 1.213) 4.490 12.982 ( -8.100 0.553 -2.574) 8.517 ======================= Grid point 731 (282/489) ======================= q-point: ( 0.65 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 0.628 3.363 0.275) 3.432 3.212 ( 14.731 4.438 0.040) 15.385 4.026 ( -3.436 4.587 -0.223) 5.735 5.014 ( 15.148 3.373 0.372) 15.524 5.986 ( -1.782 -1.914 0.582) 2.679 6.348 ( -9.467 4.365 -1.858) 10.589 8.030 ( 39.119 1.960 -3.390) 39.315 8.881 ( -0.131 -4.930 12.087) 13.054 9.699 ( -8.927 9.232 -0.382) 12.848 10.656 ( 16.442 7.902 -2.583) 18.425 11.955 ( -6.431 -2.974 1.289) 7.202 12.810 ( -11.063 -0.014 -1.658) 11.187 ======================= Grid point 732 (283/489) ======================= q-point: ( 0.71 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 1.326 2.360 0.671) 2.789 3.503 ( 14.077 2.857 -0.085) 14.364 3.989 ( -5.054 2.544 0.770) 5.711 5.313 ( 15.340 2.310 -0.053) 15.513 5.935 ( -2.102 -2.134 0.909) 3.130 6.183 ( -11.251 0.876 -2.206) 11.498 8.564 ( 19.910 -0.167 -7.065) 21.127 8.973 ( 8.468 -1.867 10.611) 13.704 9.695 ( 1.871 7.754 3.570) 8.738 11.015 ( 13.869 11.811 -3.971) 18.644 11.772 ( -7.731 -9.156 1.929) 12.138 12.588 ( -12.890 -0.816 -1.265) 12.978 ======================= Grid point 733 (284/489) ======================= q-point: (-0.24 -0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 1.718 1.775 0.659) 2.557 3.746 ( 11.569 -2.113 -0.719) 11.782 3.915 ( -6.238 4.415 1.605) 7.809 5.581 ( 13.411 0.116 -0.523) 13.421 5.856 ( -6.240 -2.973 1.281) 7.030 5.991 ( -8.074 -0.010 -1.910) 8.296 8.763 ( 8.985 0.327 -5.685) 10.637 9.033 ( -3.944 -0.759 5.655) 6.936 9.991 ( 17.652 5.310 4.895) 19.072 11.305 ( 3.752 13.957 -5.338) 15.407 11.549 ( -2.866 -14.598 3.412) 15.263 12.364 ( -10.010 -0.230 -0.869) 10.051 ======================= Grid point 734 (285/489) ======================= q-point: (-0.18 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 1.553 1.851 0.193) 2.424 3.702 ( -5.332 -9.046 -0.215) 10.503 4.024 ( 5.989 8.819 0.463) 10.670 5.603 ( -7.903 -12.681 0.334) 14.946 5.801 ( 3.841 5.876 -0.812) 7.067 5.931 ( -0.143 1.052 0.122) 1.069 8.846 ( -8.787 7.548 7.157) 13.616 8.966 ( 7.773 -9.803 -7.554) 14.614 10.253 ( 3.612 1.870 1.389) 4.298 11.329 ( -1.297 -2.720 1.398) 3.321 11.462 ( -2.386 -1.235 -1.614) 3.134 12.312 ( 2.669 5.074 -0.163) 5.736 ======================= Grid point 735 (286/489) ======================= q-point: (-0.12 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 0.563 2.588 -0.564) 2.708 3.472 ( -9.111 -10.636 -0.154) 14.006 4.205 ( 4.058 8.758 -1.054) 9.709 5.304 ( -11.022 -12.325 0.681) 16.549 5.871 ( 1.337 0.855 0.204) 1.600 5.994 ( 2.448 4.210 0.222) 4.875 8.641 ( -14.433 -9.789 6.532) 18.623 9.047 ( 7.248 -0.006 -6.283) 9.592 10.199 ( -9.057 3.673 -1.850) 9.947 11.175 ( -8.058 -9.348 -2.891) 12.676 11.522 ( 5.712 4.707 4.255) 8.537 12.499 ( 8.249 8.875 -0.354) 12.121 ======================= Grid point 746 (287/489) ======================= q-point: ( 0.53 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -0.000 4.675 0.354) 4.688 2.639 ( 0.000 6.717 0.173) 6.720 4.070 ( 0.000 7.348 -1.139) 7.435 4.486 ( -0.000 4.793 0.726) 4.847 6.058 ( 0.000 -1.363 -0.284) 1.392 6.557 ( -0.000 1.100 0.346) 1.153 6.562 ( 0.000 10.052 -1.553) 10.171 9.176 ( -0.000 -10.673 16.791) 19.895 9.845 ( 0.000 9.492 -0.183) 9.494 9.968 ( 0.000 7.452 -4.633) 8.775 12.121 ( 0.000 5.044 0.148) 5.046 13.131 ( 0.000 0.536 -2.973) 3.021 ======================= Grid point 747 (288/489) ======================= q-point: ( 0.59 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -0.890 3.964 1.373) 4.288 2.769 ( 8.163 4.358 -0.130) 9.255 4.119 ( -1.680 5.692 0.620) 5.967 4.591 ( 7.195 2.830 0.040) 7.732 6.035 ( -0.823 -1.427 -0.180) 1.658 6.589 ( -3.383 5.842 -2.166) 7.089 6.799 ( 22.552 2.420 0.663) 22.691 9.055 ( -6.867 -9.292 14.504) 18.543 9.949 ( -2.504 10.139 -0.451) 10.453 10.088 ( 11.195 2.426 -1.363) 11.536 12.139 ( -3.074 3.281 -0.597) 4.535 13.090 ( -4.308 0.635 -1.930) 4.763 ======================= Grid point 748 (289/489) ======================= q-point: ( 0.65 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -0.777 2.920 2.217) 3.747 2.993 ( 13.323 1.993 -0.252) 13.474 4.132 ( -3.054 4.089 2.039) 5.496 4.786 ( 12.706 0.941 -0.346) 12.746 6.001 ( -1.514 -1.140 -0.196) 1.905 6.525 ( -7.355 2.456 -3.512) 8.512 7.363 ( 36.872 2.058 0.814) 36.938 8.906 ( -4.879 -7.345 11.798) 14.729 9.936 ( -7.968 6.937 1.871) 10.729 10.386 ( 18.666 2.822 -0.662) 18.890 12.066 ( -6.912 -0.101 -1.147) 7.007 12.981 ( -8.316 0.748 -1.260) 8.444 ======================= Grid point 749 (290/489) ======================= q-point: (-0.29 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -0.009 1.774 2.568) 3.121 3.255 ( 15.156 -0.161 -0.228) 15.159 4.109 ( -4.479 2.561 2.991) 5.964 5.038 ( 15.814 -0.857 -0.555) 15.847 5.959 ( -2.041 -0.732 -0.187) 2.177 6.366 ( -10.019 -0.741 -3.814) 10.746 8.042 ( 35.904 1.082 -2.427) 36.003 8.859 ( 3.379 -4.781 10.851) 12.329 9.853 ( -8.505 4.300 5.105) 10.811 10.760 ( 20.539 2.544 -0.800) 20.712 11.890 ( -10.616 -2.965 -1.728) 11.157 12.807 ( -11.850 0.832 -1.128) 11.933 ======================= Grid point 750 (291/489) ======================= q-point: (-0.24 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.956 1.041 2.330) 2.725 3.497 ( 13.673 -3.227 -0.211) 14.051 4.056 ( -5.073 2.349 3.299) 6.491 5.295 ( 15.581 -3.736 -0.771) 16.041 5.913 ( -2.673 -0.321 0.034) 2.693 6.152 ( -10.540 -1.936 -3.389) 11.240 8.487 ( 17.062 -2.125 -7.617) 18.806 9.039 ( 11.491 0.567 10.974) 15.899 9.817 ( 2.225 -0.545 8.061) 8.380 11.118 ( 18.712 -1.490 -0.157) 18.772 11.646 ( -12.547 -1.363 -2.911) 12.952 12.590 ( -13.343 1.968 -1.201) 13.541 ======================= Grid point 751 (292/489) ======================= q-point: (-0.18 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 1.761 1.064 1.601) 2.607 3.605 ( 4.459 -9.774 -0.124) 10.744 4.056 ( 0.696 6.184 2.697) 6.782 5.444 ( 7.738 -11.127 -1.014) 13.591 5.862 ( -2.847 1.583 0.125) 3.260 5.988 ( -4.910 0.966 -2.055) 5.409 8.652 ( 11.290 -5.066 -9.522) 15.614 9.128 ( -7.803 2.413 10.394) 13.220 10.017 ( 17.905 -6.796 6.605) 20.259 11.279 ( 4.500 -12.712 4.456) 14.203 11.500 ( -4.019 8.556 -7.438) 12.028 12.428 ( -7.511 6.818 -0.574) 10.160 ======================= Grid point 764 (293/489) ======================= q-point: ( 0.59 0.59 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -0.000 2.980 2.860) 4.131 2.728 ( 0.000 2.141 -0.462) 2.190 4.192 ( -0.000 4.197 2.831) 5.062 4.544 ( 0.000 0.993 -0.889) 1.333 6.029 ( 0.000 -0.945 -0.517) 1.077 6.602 ( -0.000 1.641 4.094) 4.410 6.676 ( 0.000 3.279 -4.913) 5.907 9.079 ( -0.000 -9.745 14.495) 17.467 9.967 ( 0.000 2.964 -1.288) 3.232 10.089 ( -0.000 6.149 1.216) 6.268 12.192 ( 0.000 1.765 -1.592) 2.377 13.130 ( 0.000 0.905 -1.146) 1.460 ======================= Grid point 765 (294/489) ======================= q-point: (-0.35 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -1.031 1.597 3.854) 4.297 2.808 ( 8.091 -0.269 -0.600) 8.118 4.222 ( -1.880 2.675 4.420) 5.498 4.605 ( 7.251 -0.876 -1.264) 7.412 6.013 ( -0.864 -0.366 -0.769) 1.214 6.617 ( -3.773 -0.776 -4.532) 5.948 6.858 ( 22.357 1.763 3.483) 22.695 8.973 ( -5.964 -7.854 11.723) 15.319 10.086 ( 6.516 -1.964 -0.367) 6.816 10.136 ( 2.579 7.145 3.834) 8.509 12.154 ( -3.974 -1.199 -2.377) 4.783 13.100 ( -4.401 1.289 -0.648) 4.632 ======================= Grid point 766 (295/489) ======================= q-point: (-0.29 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -0.921 0.069 4.120) 4.223 2.985 ( 13.486 -2.497 -0.525) 13.725 4.212 ( -3.439 1.034 5.263) 6.372 4.763 ( 12.872 -2.492 -1.164) 13.163 5.987 ( -1.599 0.224 -0.912) 1.854 6.476 ( -7.061 -4.194 -5.482) 9.875 7.411 ( 35.442 1.347 2.743) 35.574 8.847 ( -3.633 -5.688 9.135) 11.358 10.044 ( -6.595 -0.392 5.537) 8.620 10.417 ( 18.308 1.225 1.580) 18.417 12.016 ( -7.663 -3.384 -3.347) 9.021 12.997 ( -8.684 1.528 -0.634) 8.840 ======================= Grid point 767 (296/489) ======================= q-point: (-0.24 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 0.218 -1.026 3.655) 3.803 3.203 ( 15.040 -4.799 -0.250) 15.789 4.164 ( -4.348 -0.297 5.218) 6.798 4.977 ( 15.279 -4.463 -1.022) 15.950 5.956 ( -2.178 0.740 -0.799) 2.435 6.265 ( -8.350 -6.028 -5.055) 11.472 8.039 ( 31.325 0.485 -2.386) 31.419 8.849 ( 7.538 -3.719 9.656) 12.802 9.909 ( -8.118 -5.087 7.638) 12.253 10.762 ( 19.151 -1.135 2.624) 19.363 11.814 ( -9.540 -2.487 -4.825) 10.976 12.829 ( -11.812 2.118 -0.860) 12.031 ======================= Grid point 768 (297/489) ======================= q-point: (-0.18 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 1.790 -1.179 2.660) 3.417 3.374 ( 10.923 -8.856 0.065) 14.062 4.117 ( -1.909 0.669 4.376) 4.821 5.162 ( 12.286 -8.373 -1.125) 14.910 5.918 ( -2.742 0.642 -0.360) 2.839 6.062 ( -5.703 -4.111 -3.816) 7.999 8.385 ( 12.423 -2.025 -8.246) 15.047 9.118 ( 16.151 -1.848 11.307) 19.802 9.749 ( 0.025 -12.394 7.310) 14.389 11.039 ( 12.827 -4.152 4.923) 14.353 11.634 ( -7.024 1.457 -7.433) 10.330 12.652 ( -10.741 4.785 -0.521) 11.770 ======================= Grid point 782 (298/489) ======================= q-point: (-0.35 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -0.000 -0.336 4.839) 4.851 2.717 ( 0.000 -2.717 -0.847) 2.846 4.277 ( -0.000 0.822 6.325) 6.378 4.517 ( 0.000 -2.535 -1.815) 3.118 6.017 ( 0.000 0.431 -1.233) 1.306 6.620 ( 0.000 -4.567 -7.060) 8.409 6.674 ( -0.000 1.444 6.772) 6.924 9.001 ( -0.000 -6.791 10.867) 12.814 9.943 ( 0.000 -4.048 -2.248) 4.630 10.239 ( -0.000 5.434 7.756) 9.470 12.152 ( 0.000 -4.072 -3.298) 5.240 13.153 ( 0.000 1.864 -0.249) 1.881 ======================= Grid point 783 (299/489) ======================= q-point: (-0.29 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -0.936 -2.460 4.997) 5.648 2.749 ( 8.308 -5.062 -0.860) 9.766 4.282 ( -1.962 -1.246 7.152) 7.520 4.545 ( 7.468 -3.866 -1.574) 8.555 6.012 ( -0.932 1.169 -1.461) 2.090 6.487 ( -3.953 -8.124 -6.828) 11.325 6.920 ( 22.229 1.004 5.999) 23.046 8.916 ( -5.783 -4.643 8.224) 11.074 9.968 ( 8.011 -8.970 -1.443) 12.113 10.321 ( 1.146 5.478 10.482) 11.883 12.053 ( -3.614 -6.172 -4.412) 8.403 13.132 ( -4.704 2.154 -0.291) 5.181 ======================= Grid point 784 (300/489) ======================= q-point: (-0.24 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -0.350 -4.166 4.372) 6.049 2.885 ( 13.882 -7.100 -0.567) 15.603 4.235 ( -3.374 -3.419 6.790) 8.318 4.677 ( 12.741 -5.029 -1.035) 13.736 5.999 ( -1.719 1.757 -1.286) 2.774 6.281 ( -5.525 -10.562 -6.595) 13.623 7.456 ( 33.811 0.897 3.626) 34.016 8.811 ( -3.318 -3.347 6.348) 7.907 9.925 ( -0.596 -14.343 2.803) 14.627 10.520 ( 11.365 4.477 9.343) 15.379 11.886 ( -5.848 -5.747 -5.874) 10.086 13.032 ( -8.930 2.254 -0.606) 9.230 ======================= Grid point 785 (301/489) ======================= q-point: (-0.18 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 1.646 -4.785 3.154) 5.963 3.056 ( 14.385 -9.704 -0.087) 17.352 4.158 ( -2.672 -4.422 5.530) 7.568 4.852 ( 13.546 -7.011 -0.748) 15.271 5.970 ( -3.022 -0.604 -0.513) 3.124 6.067 ( -3.867 -7.777 -5.733) 10.406 8.038 ( 26.930 1.351 -2.495) 27.079 8.830 ( 9.423 -5.048 8.147) 13.440 9.699 ( -5.945 -19.639 4.604) 21.029 10.823 ( 13.894 3.075 8.803) 16.733 11.709 ( -6.065 -3.433 -7.859) 10.504 12.879 ( -10.548 3.236 -0.489) 11.044 ======================= Grid point 800 (302/489) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -0.000 -5.257 5.095) 7.321 2.606 ( 0.000 -7.669 -1.064) 7.742 4.300 ( -0.000 -4.076 8.003) 8.982 4.427 ( 0.000 -4.965 -1.397) 5.157 6.032 ( 0.000 2.181 -1.763) 2.804 6.397 ( 0.000 -12.079 -7.852) 14.407 6.748 ( -0.000 0.674 7.603) 7.633 8.970 ( -0.000 -2.512 7.176) 7.603 9.775 ( 0.000 -10.521 -2.963) 10.930 10.396 ( -0.000 1.387 14.128) 14.196 11.993 ( 0.000 -7.719 -5.600) 9.536 13.197 ( 0.000 2.506 -0.376) 2.535 ======================= Grid point 801 (303/489) ======================= q-point: (-0.24 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -0.468 -7.691 4.448) 8.897 2.592 ( 8.834 -9.823 -0.900) 13.242 4.254 ( -1.849 -7.179 7.345) 10.436 4.438 ( 7.609 -5.638 -0.638) 9.492 6.042 ( -1.126 2.861 -1.403) 3.380 6.201 ( -2.918 -14.661 -7.513) 16.731 6.979 ( 21.690 0.340 6.341) 22.601 8.907 ( -6.629 -0.956 5.037) 8.380 9.708 ( 5.343 -15.404 -1.840) 16.408 10.471 ( 3.870 -1.335 15.829) 16.350 11.873 ( -2.649 -6.149 -6.845) 9.575 13.176 ( -4.974 2.426 -0.801) 5.592 ======================= Grid point 802 (304/489) ======================= q-point: (-0.18 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 1.084 -9.068 3.155) 9.662 2.691 ( 14.299 -11.681 -0.360) 18.468 4.152 ( -2.257 -9.681 5.653) 11.436 4.556 ( 12.083 -6.366 0.017) 13.657 5.951 ( -3.495 -15.228 -4.211) 16.182 6.058 ( -1.378 3.028 -3.147) 4.579 7.499 ( 32.993 0.904 3.370) 33.177 8.794 ( -5.434 -2.657 4.083) 7.298 9.555 ( -1.327 -22.190 0.884) 22.247 10.652 ( 12.330 -1.919 13.718) 18.545 11.740 ( -4.639 -2.247 -7.845) 9.387 13.075 ( -8.569 2.441 -0.926) 8.958 ======================= Grid point 818 (305/489) ======================= q-point: (-0.24 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -0.000 -10.834 4.026) 11.558 2.395 ( 0.000 -12.370 -1.055) 12.414 4.202 ( -0.000 -11.413 6.530) 13.149 4.309 ( -0.000 -6.007 0.147) 6.009 6.034 ( 0.000 -17.989 -6.320) 19.067 6.085 ( 0.000 4.202 -2.247) 4.765 6.804 ( -0.000 -0.278 6.538) 6.544 9.002 ( -0.000 1.580 4.135) 4.427 9.488 ( 0.000 -15.460 -3.247) 15.798 10.429 ( -0.000 -11.816 18.511) 21.961 11.825 ( 0.000 -2.268 -7.179) 7.529 13.241 ( 0.000 2.330 -1.454) 2.746 ======================= Grid point 819 (306/489) ======================= q-point: (-0.18 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 0.319 -13.049 2.927) 13.377 2.344 ( 9.573 -14.141 -0.596) 17.086 4.074 ( -1.083 -15.315 4.496) 15.998 4.319 ( 7.509 -6.078 1.074) 9.720 5.799 ( -1.923 -19.700 -5.667) 20.588 6.117 ( -1.070 5.203 -1.383) 5.488 7.020 ( 21.784 -0.294 4.797) 22.308 8.936 ( -9.395 0.008 2.537) 9.731 9.339 ( 1.374 -19.019 -1.458) 19.124 10.420 ( 9.788 -16.400 16.788) 25.429 11.783 ( -2.673 3.364 -6.466) 7.764 13.212 ( -4.911 1.994 -1.999) 5.664 ======================= Grid point 836 (307/489) ======================= q-point: (-0.18 -0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -0.000 -15.951 2.634) 16.167 2.097 ( 0.000 -16.343 -0.664) 16.356 3.913 ( -0.000 -20.774 2.430) 20.915 4.197 ( -0.000 -5.766 2.144) 6.152 5.589 ( 0.000 -21.385 -5.068) 21.977 6.182 ( 0.000 6.016 -0.609) 6.047 6.827 ( -0.000 -1.154 3.909) 4.076 9.071 ( -0.000 1.956 1.580) 2.514 9.123 ( 0.000 -18.072 -2.847) 18.295 10.151 ( -0.000 -27.073 18.169) 32.605 11.848 ( 0.000 8.234 -4.531) 9.398 13.264 ( 0.000 1.560 -3.294) 3.644 ======================= Grid point 927 (308/489) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -0.000 0.000 18.941) 18.941 0.651 ( -0.000 0.000 18.941) 18.941 1.178 ( -0.000 0.000 33.900) 33.900 3.884 ( 0.000 -0.000 -5.632) 5.632 3.884 ( 0.000 -0.000 -5.632) 5.632 6.712 ( -0.000 0.000 1.689) 1.689 6.712 ( -0.000 0.000 1.689) 1.689 7.578 ( 0.000 -0.000 -7.393) 7.393 7.898 ( 0.000 -0.000 -0.202) 0.202 7.898 ( 0.000 -0.000 -0.202) 0.202 12.703 ( -0.000 0.000 3.736) 3.736 13.016 ( -0.000 0.000 3.302) 3.302 ======================= Grid point 928 (309/489) ======================= q-point: ( 0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 10.600 6.120 14.912) 19.292 0.902 ( 11.024 6.365 17.870) 21.940 1.454 ( 15.948 9.207 23.146) 29.578 3.908 ( 6.797 3.924 -5.542) 9.608 3.944 ( 3.923 2.265 -4.734) 6.552 6.646 ( -2.809 -1.622 0.161) 3.247 6.818 ( -5.098 -2.944 3.449) 6.823 7.203 ( 13.343 7.704 5.181) 16.255 7.984 ( 6.212 3.586 0.552) 7.194 8.936 ( 43.119 24.895 -26.360) 56.337 12.663 ( -4.580 -2.644 3.739) 6.477 12.988 ( -3.754 -2.168 -0.148) 4.338 ======================= Grid point 929 (310/489) ======================= q-point: ( 0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 8.109 4.682 17.328) 19.696 1.207 ( 13.563 7.831 10.204) 18.692 2.043 ( 27.134 15.666 7.988) 32.334 4.029 ( 4.493 2.594 -3.522) 6.271 4.156 ( 15.329 8.850 -2.949) 17.944 6.593 ( -1.264 -0.730 -1.882) 2.381 6.673 ( -6.063 -3.500 2.928) 7.589 7.804 ( 29.953 17.293 1.236) 34.609 8.183 ( 10.301 5.947 1.628) 12.005 9.612 ( 24.319 14.041 -13.289) 31.067 12.520 ( -8.619 -4.976 3.088) 10.421 12.865 ( -5.185 -2.993 -4.930) 7.755 ======================= Grid point 930 (311/489) ======================= q-point: ( 0.35 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 10.275 5.932 11.004) 16.182 1.562 ( 14.068 8.122 6.646) 17.551 2.694 ( 26.615 15.366 0.584) 30.738 4.125 ( 4.557 2.631 -2.220) 5.711 4.571 ( 19.968 11.528 0.034) 23.057 6.552 ( -5.419 -3.128 2.438) 6.715 6.580 ( 1.033 0.596 -3.791) 3.974 8.463 ( 25.284 14.598 -2.962) 29.345 8.466 ( 13.200 7.621 2.531) 15.450 10.090 ( 19.894 11.486 1.518) 23.021 12.290 ( -11.714 -6.763 2.216) 13.706 12.743 ( -2.620 -1.513 -8.451) 8.977 ======================= Grid point 931 (312/489) ======================= q-point: ( 0.41 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 11.113 6.416 4.511) 13.602 1.900 ( 13.183 7.611 4.092) 15.763 3.266 ( 22.764 13.143 -3.522) 26.520 4.222 ( 4.261 2.460 -0.995) 5.020 5.054 ( 20.533 11.855 2.074) 23.800 6.434 ( -5.465 -3.155 2.681) 6.856 6.614 ( 3.223 1.861 -5.282) 6.461 8.804 ( 14.700 8.487 3.082) 17.252 8.938 ( 16.874 9.742 -3.146) 19.736 10.557 ( 18.452 10.653 3.748) 21.633 12.004 ( -13.165 -7.601 2.728) 15.444 12.700 ( 1.668 0.963 -8.596) 8.809 ======================= Grid point 932 (313/489) ======================= q-point: ( 0.47 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 10.038 5.796 -0.546) 11.604 2.198 ( 11.277 6.511 2.391) 13.239 3.726 ( 18.188 10.501 -5.931) 21.823 4.313 ( 3.673 2.120 0.073) 4.241 5.516 ( 17.937 10.356 2.977) 20.925 6.317 ( -5.452 -3.148 3.334) 7.124 6.687 ( 4.634 2.675 -6.338) 8.294 9.159 ( 14.411 8.320 3.284) 16.962 9.264 ( 12.335 7.122 0.392) 14.249 10.898 ( 9.215 5.320 -9.842) 14.494 11.747 ( -8.521 -4.920 9.126) 13.420 12.758 ( 5.158 2.978 -5.433) 8.062 ======================= Grid point 933 (314/489) ======================= q-point: ( 0.53 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 7.928 4.577 -3.672) 9.863 2.438 ( 8.600 4.965 1.429) 10.032 4.074 ( 13.885 8.016 -7.428) 17.670 4.391 ( 2.780 1.605 0.946) 3.346 5.891 ( 12.888 7.441 2.572) 15.102 6.210 ( -4.640 -2.679 4.857) 7.232 6.776 ( 4.927 2.844 -7.058) 9.065 9.483 ( 12.083 6.976 3.232) 14.322 9.544 ( 11.604 6.700 2.834) 13.696 10.823 ( -9.434 -5.447 -21.326) 23.947 11.758 ( 4.804 2.774 11.950) 13.175 12.880 ( 5.866 3.387 -1.709) 6.986 ======================= Grid point 934 (315/489) ======================= q-point: ( 0.59 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 5.572 3.217 -4.803) 8.030 2.605 ( 5.356 3.092 1.018) 6.267 4.323 ( 9.989 5.767 -8.415) 14.278 4.447 ( 1.555 0.898 1.555) 2.375 6.043 ( -1.507 -0.870 0.293) 1.765 6.224 ( 5.136 2.965 8.191) 10.112 6.858 ( 4.140 2.390 -7.501) 8.895 9.729 ( 7.855 4.535 3.054) 9.570 9.828 ( 11.664 6.734 1.757) 13.582 10.438 ( -15.057 -8.693 -20.533) 26.905 11.937 ( 6.116 3.531 6.562) 9.640 12.998 ( 4.251 2.454 0.294) 4.917 ======================= Grid point 935 (316/489) ======================= q-point: ( 0.65 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 3.014 1.740 -4.626) 5.789 2.691 ( 1.675 0.967 0.900) 2.134 4.472 ( 0.026 0.015 1.773) 1.773 4.479 ( 5.904 3.409 -8.797) 11.130 5.983 ( -2.668 -1.540 2.112) 3.735 6.352 ( 2.187 1.262 7.348) 7.770 6.910 ( 2.638 1.523 -7.622) 8.208 9.860 ( 2.296 1.326 2.873) 3.910 9.891 ( -11.777 -6.800 -17.088) 21.839 10.226 ( 8.837 5.102 -3.527) 10.796 12.049 ( 1.440 0.831 4.082) 4.408 13.076 ( 2.326 1.343 0.957) 2.851 ======================= Grid point 936 (317/489) ======================= q-point: (-0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( -0.430 -0.248 -4.243) 4.272 2.687 ( -2.356 -1.360 0.830) 2.844 4.459 ( -1.669 -0.963 1.477) 2.428 4.531 ( 1.039 0.600 -8.154) 8.241 5.954 ( -0.382 -0.220 2.629) 2.666 6.362 ( -3.596 -2.076 7.161) 8.278 6.925 ( 0.968 0.559 -7.320) 7.405 9.503 ( -13.087 -7.556 -17.652) 23.237 9.853 ( -3.717 -2.146 2.777) 5.112 10.492 ( 12.425 7.174 -5.788) 15.471 12.019 ( -5.283 -3.050 4.113) 7.357 13.122 ( 1.512 0.873 1.556) 2.339 ======================= Grid point 937 (318/489) ======================= q-point: (-0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -5.032 -2.905 -4.180) 7.158 2.586 ( -6.587 -3.803 0.689) 7.637 4.405 ( -3.274 -1.890 0.640) 3.834 4.464 ( -4.648 -2.684 -6.542) 8.462 5.984 ( 2.045 1.180 2.449) 3.402 6.234 ( -9.490 -5.479 6.551) 12.767 6.907 ( -0.347 -0.200 -6.549) 6.562 9.202 ( -7.533 -4.349 -13.349) 15.933 9.711 ( -9.219 -5.323 2.788) 11.004 10.702 ( 7.099 4.099 -13.385) 15.696 11.856 ( -9.094 -5.250 6.717) 12.465 13.165 ( 1.600 0.924 2.538) 3.139 ======================= Grid point 938 (319/489) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -9.908 -5.720 -3.956) 12.105 2.386 ( -10.683 -6.168 0.548) 12.348 4.262 ( -11.035 -6.371 -4.563) 13.534 4.313 ( -4.478 -2.586 -0.634) 5.210 5.960 ( -14.222 -8.211 6.777) 17.766 6.073 ( 3.301 1.906 0.589) 3.856 6.868 ( -1.005 -0.580 -5.368) 5.492 9.065 ( -1.115 -0.644 -7.413) 7.523 9.455 ( -13.375 -7.722 2.854) 15.706 10.633 ( -9.615 -5.551 -19.460) 22.405 11.741 ( -1.287 -0.743 8.544) 8.672 13.215 ( 1.717 0.992 3.374) 3.913 ======================= Grid point 945 (320/489) ======================= q-point: ( 0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -0.000 8.900 15.667) 18.018 0.994 ( -0.000 11.042 18.948) 21.930 1.570 ( -0.000 19.078 21.836) 28.997 3.796 ( 0.000 -0.949 -6.338) 6.409 4.010 ( 0.000 12.674 -4.697) 13.516 6.776 ( -0.000 1.288 1.236) 1.785 6.853 ( -0.000 14.288 1.232) 14.341 6.974 ( -0.000 -17.919 5.404) 18.716 7.950 ( -0.000 6.464 0.279) 6.470 8.874 ( 0.000 46.305 -21.591) 51.091 12.678 ( -0.000 -5.360 4.094) 6.745 13.043 ( 0.000 1.717 -0.843) 1.913 ======================= Grid point 946 (321/489) ======================= q-point: ( 0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 10.839 10.802 11.672) 19.246 1.189 ( 3.612 6.268 19.787) 21.068 1.952 ( 10.802 25.623 10.069) 29.574 3.859 ( 9.031 0.360 -5.161) 10.408 4.161 ( 2.650 16.611 -3.078) 17.101 6.665 ( -4.498 -2.054 1.020) 5.049 6.872 ( -10.976 9.870 1.274) 14.816 7.254 ( 29.183 0.277 0.488) 29.189 8.171 ( 10.985 14.469 1.742) 18.250 9.346 ( 17.293 23.376 -15.549) 32.974 12.586 ( -4.447 -7.555 3.727) 9.526 12.980 ( -7.825 2.258 -3.761) 8.971 ======================= Grid point 947 (322/489) ======================= q-point: ( 0.35 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 6.338 5.422 15.012) 17.173 1.481 ( 11.499 12.983 7.694) 18.973 2.486 ( 18.280 22.912 1.603) 29.355 4.026 ( 9.104 2.199 -3.855) 10.128 4.442 ( 10.393 17.941 -0.010) 20.734 6.579 ( -3.062 -3.993 1.518) 5.256 6.799 ( -12.793 17.905 -1.890) 22.087 7.790 ( 35.658 -7.942 -1.999) 36.586 8.563 ( 10.214 21.638 1.674) 23.986 9.825 ( 21.842 11.813 -3.757) 25.114 12.404 ( -8.272 -8.482 3.323) 12.305 12.830 ( -8.994 2.943 -6.741) 11.619 ======================= Grid point 948 (323/489) ======================= q-point: ( 0.41 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 8.769 5.722 7.980) 13.165 1.832 ( 10.133 14.280 4.716) 18.133 3.025 ( 19.832 17.272 -2.850) 26.452 4.179 ( 5.585 5.085 -2.569) 7.978 4.862 ( 16.625 15.741 2.413) 23.021 6.481 ( -3.735 -4.767 2.213) 6.448 6.780 ( -10.279 20.366 -4.146) 23.186 8.311 ( 33.660 -7.188 -2.187) 34.488 8.922 ( 7.704 16.665 1.027) 18.389 10.318 ( 21.715 9.328 1.566) 23.686 12.160 ( -11.336 -7.677 3.770) 14.201 12.712 ( -4.525 3.428 -8.023) 9.828 ======================= Grid point 949 (324/489) ======================= q-point: ( 0.47 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 9.422 5.132 1.748) 10.870 2.150 ( 8.041 14.275 2.723) 16.609 3.492 ( 18.263 11.856 -5.226) 22.392 4.309 ( 3.008 7.174 -1.156) 7.864 5.321 ( 17.688 12.378 3.455) 21.864 6.372 ( -4.171 -4.671 2.765) 6.846 6.816 ( -7.644 20.847 -5.547) 22.887 8.806 ( 28.844 -2.130 -1.141) 28.945 9.186 ( 7.536 9.065 2.852) 12.129 10.718 ( 14.326 5.373 -6.260) 16.531 11.910 ( -11.126 -4.279 7.177) 13.914 12.698 ( 1.946 3.225 -5.861) 6.967 ======================= Grid point 950 (325/489) ======================= q-point: ( 0.53 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 8.605 3.878 -2.603) 9.791 2.415 ( 5.497 13.176 1.590) 14.365 3.863 ( 15.521 7.326 -6.567) 18.376 4.420 ( 0.842 8.395 0.051) 8.438 5.731 ( 15.206 8.557 3.511) 17.798 6.265 ( -4.004 -4.346 3.627) 6.934 6.886 ( -6.095 20.711 -6.532) 22.556 9.256 ( 22.085 2.158 0.453) 22.194 9.409 ( 9.652 4.142 3.853) 11.187 10.809 ( -1.228 -2.260 -18.874) 19.048 11.803 ( -2.591 1.881 11.483) 11.921 12.788 ( 6.201 1.933 -1.945) 6.781 ======================= Grid point 951 (326/489) ======================= q-point: ( 0.59 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 7.101 2.444 -4.736) 8.879 2.615 ( 2.590 11.372 1.108) 11.715 4.138 ( 12.535 3.864 -7.330) 15.026 4.505 ( -1.190 8.692 0.785) 8.808 6.013 ( 6.618 2.951 0.968) 7.311 6.200 ( 0.820 -2.052 7.026) 7.365 6.965 ( -5.876 20.183 -7.236) 22.232 9.554 ( 10.940 -2.664 3.672) 11.843 9.692 ( 15.538 6.759 -0.280) 16.947 10.561 ( -12.846 -3.410 -20.369) 24.322 11.895 ( 4.240 2.823 8.048) 9.525 12.912 ( 6.661 -0.163 0.546) 6.685 ======================= Grid point 952 (327/489) ======================= q-point: ( 0.65 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 5.228 1.020 -5.076) 7.358 2.740 ( -0.702 9.243 0.978) 9.321 4.328 ( 9.249 1.306 -7.525) 11.995 4.556 ( -3.069 8.029 0.860) 8.639 6.015 ( -2.318 -2.026 1.018) 3.242 6.316 ( 5.665 0.065 7.947) 9.759 7.029 ( -6.747 19.354 -7.596) 21.858 9.630 ( 4.809 -12.407 -3.386) 13.730 10.020 ( 13.141 8.718 -1.758) 15.867 10.244 ( -14.317 4.123 -13.029) 19.793 12.011 ( 4.134 -0.501 4.859) 6.399 13.008 ( 5.216 -2.092 1.188) 5.744 ======================= Grid point 953 (328/489) ======================= q-point: (-0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 2.499 -0.611 -4.697) 5.356 2.781 ( -4.441 7.049 0.914) 8.382 4.432 ( 5.120 -0.717 -6.945) 8.658 4.564 ( -4.778 6.541 0.278) 8.105 5.969 ( -1.154 -1.289 2.078) 2.704 6.388 ( 0.697 -3.091 7.613) 8.246 7.063 ( -8.145 18.385 -7.465) 21.449 9.437 ( -4.209 -16.398 -13.135) 21.427 10.075 ( -11.746 9.517 -1.937) 15.241 10.318 ( 12.875 6.905 -5.096) 15.473 12.040 ( -0.102 -4.614 4.060) 6.147 13.066 ( 4.143 -3.110 1.314) 5.345 ======================= Grid point 954 (329/489) ======================= q-point: (-0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -1.643 -2.658 -4.437) 5.427 2.731 ( -8.616 4.924 0.767) 9.953 4.438 ( 0.162 -2.845 -6.190) 6.815 4.522 ( -6.604 4.873 -0.185) 8.209 5.971 ( 1.159 -0.025 2.351) 2.621 6.327 ( -5.246 -6.549 7.242) 11.084 7.064 ( -9.484 17.697 -6.822) 21.206 9.157 ( -4.397 -12.135 -12.868) 18.226 9.932 ( -13.609 4.461 1.352) 14.386 10.559 ( 9.722 5.873 -10.703) 15.607 11.944 ( -5.361 -7.352 5.340) 10.550 13.110 ( 4.143 -3.258 1.750) 5.554 ======================= Grid point 955 (330/489) ======================= q-point: (-0.18 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -6.724 -4.774 -4.136) 9.226 2.584 ( -12.987 2.945 0.585) 13.330 4.326 ( -5.724 -5.854 -5.875) 10.077 4.435 ( -8.227 4.072 -0.106) 9.180 6.023 ( 3.263 0.985 2.167) 4.039 6.126 ( -11.079 -9.573 6.366) 15.966 7.045 ( -10.493 17.816 -5.854) 21.489 8.979 ( 0.400 -8.133 -8.146) 11.518 9.687 ( -16.586 -1.953 1.971) 16.817 10.648 ( -0.892 2.699 -16.911) 17.148 11.794 ( -4.638 -5.817 7.974) 10.905 13.160 ( 4.412 -3.129 2.227) 5.850 ======================= Grid point 963 (331/489) ======================= q-point: ( 0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -0.000 13.759 11.176) 17.726 1.299 ( -0.000 6.262 20.292) 21.236 2.183 ( -0.000 29.423 5.795) 29.989 3.771 ( 0.000 2.661 -4.821) 5.506 4.314 ( 0.000 19.734 -2.614) 19.906 6.706 ( -0.000 -10.400 3.411) 10.945 6.769 ( 0.000 -1.735 -1.564) 2.336 7.386 ( 0.000 32.712 -0.055) 32.712 8.163 ( -0.000 13.523 1.774) 13.639 9.379 ( 0.000 18.305 -9.736) 20.733 12.548 ( -0.000 -9.885 3.489) 10.483 13.070 ( 0.000 3.194 -5.923) 6.730 ======================= Grid point 964 (332/489) ======================= q-point: ( 0.35 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 2.953 7.548 14.728) 16.811 1.465 ( 7.965 12.994 10.511) 18.514 2.542 ( 6.090 27.973 -0.011) 28.628 3.874 ( 8.486 4.227 -3.493) 10.103 4.540 ( 2.707 21.862 -0.625) 22.038 6.581 ( -2.368 -6.066 1.868) 6.775 6.974 ( 20.076 -2.151 -2.643) 20.363 7.514 ( -14.453 26.630 -1.143) 30.321 8.538 ( 16.570 19.230 2.191) 25.479 9.609 ( 12.845 9.879 -2.263) 16.362 12.421 ( -3.618 -10.792 3.147) 11.809 13.005 ( -7.831 3.972 -7.612) 11.621 ======================= Grid point 965 (333/489) ======================= q-point: ( 0.41 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 4.318 5.857 10.436) 12.722 1.824 ( 11.034 15.776 5.550) 20.036 2.941 ( 10.778 22.314 -3.663) 25.050 4.084 ( 10.011 5.965 -2.679) 11.957 4.849 ( 7.290 21.186 1.990) 22.493 6.489 ( -2.431 -5.830 2.181) 6.682 7.243 ( -5.395 22.832 -4.126) 23.820 7.655 ( 21.420 0.633 -2.597) 21.586 8.949 ( 8.413 14.700 2.355) 17.100 10.017 ( 22.288 7.778 1.860) 23.680 12.241 ( -6.168 -9.746 3.886) 12.171 12.860 ( -9.589 4.911 -8.496) 13.721 ======================= Grid point 966 (334/489) ======================= q-point: ( 0.47 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 6.523 5.139 3.967) 9.203 2.183 ( 8.877 17.049 3.197) 19.486 3.327 ( 13.141 15.248 -5.263) 20.806 4.304 ( 7.171 8.824 -1.856) 11.521 5.220 ( 11.301 17.138 3.532) 20.830 6.391 ( -3.001 -5.650 2.503) 6.870 7.287 ( -15.893 31.236 -4.575) 35.344 8.167 ( 36.759 -4.678 -3.434) 37.214 9.175 ( 4.852 7.092 4.756) 9.821 10.463 ( 18.808 5.207 -3.409) 19.811 12.055 ( -7.450 -5.994 6.613) 11.627 12.742 ( -5.411 4.563 -7.371) 10.219 ======================= Grid point 967 (335/489) ======================= q-point: ( 0.53 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 7.307 3.897 -1.066) 8.350 2.491 ( 5.396 17.331 1.726) 18.234 3.662 ( 13.422 8.969 -5.856) 17.172 4.494 ( 3.254 11.553 -0.812) 12.030 5.592 ( 12.704 11.592 3.924) 17.640 6.290 ( -3.250 -5.344 2.820) 6.861 7.320 ( -14.348 31.475 -5.262) 34.989 8.755 ( 34.183 -1.115 -3.050) 34.337 9.328 ( 5.566 2.133 6.280) 8.658 10.688 ( 6.802 -0.196 -13.402) 15.030 11.935 ( -5.523 -0.043 9.589) 11.066 12.722 ( 1.401 2.090 -3.555) 4.355 ======================= Grid point 968 (336/489) ======================= q-point: ( 0.59 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 6.990 2.521 -3.953) 8.416 2.730 ( 1.791 16.425 1.065) 16.556 3.933 ( 12.381 4.418 -6.128) 14.504 4.640 ( -0.603 12.917 0.025) 12.931 5.905 ( 10.587 6.060 3.204) 12.612 6.198 ( -2.095 -4.841 3.964) 6.598 7.379 ( -13.030 31.132 -5.895) 34.259 9.268 ( 23.476 -0.928 -1.199) 23.525 9.478 ( 10.185 0.529 3.053) 10.646 10.630 ( -4.548 -0.829 -17.011) 17.628 11.925 ( -1.284 2.283 8.163) 8.573 12.788 ( 5.772 -1.538 0.164) 5.976 ======================= Grid point 969 (337/489) ======================= q-point: ( 0.65 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 6.020 1.229 -4.836) 7.819 2.891 ( -1.672 14.741 0.909) 14.864 4.140 ( 10.536 1.348 -6.355) 12.378 4.731 ( -3.949 12.821 0.493) 13.424 6.028 ( -0.637 -1.153 0.247) 1.340 6.222 ( 6.755 -1.777 7.503) 10.251 7.442 ( -13.041 30.499 -6.309) 33.765 9.427 ( 4.954 -9.852 -1.650) 11.150 9.788 ( 18.032 3.849 -3.694) 18.805 10.476 ( -8.624 7.111 -11.663) 16.155 11.964 ( 1.517 -0.985 5.298) 5.598 12.871 ( 6.586 -4.704 1.561) 8.243 ======================= Grid point 970 (338/489) ======================= q-point: ( 0.71 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 4.246 -0.073 -4.614) 6.271 2.974 ( -5.186 12.762 0.866) 13.803 4.281 ( 7.879 -0.996 -6.515) 10.272 4.764 ( -6.696 11.763 0.687) 13.553 5.982 ( -1.539 -2.009 1.160) 2.784 6.331 ( 4.591 -4.023 7.211) 9.448 7.486 ( -14.006 29.282 -6.205) 33.047 9.305 ( -2.464 -12.484 -9.167) 15.683 10.067 ( 12.511 0.136 -5.234) 13.562 10.423 ( -7.852 16.203 -4.223) 18.493 11.978 ( 1.831 -5.965 4.062) 7.445 12.930 ( 6.125 -6.531 1.607) 9.097 ======================= Grid point 971 (339/489) ======================= q-point: (-0.24 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 1.086 -1.543 -4.273) 4.671 2.972 ( -8.995 10.747 0.708) 14.032 4.343 ( 4.087 -3.180 -6.495) 8.307 4.741 ( -8.899 10.278 0.726) 13.614 5.960 ( 0.309 -1.096 1.708) 2.053 6.335 ( -0.715 -7.151 6.898) 9.962 7.500 ( -14.889 27.838 -5.378) 32.025 9.080 ( -5.119 -9.287 -11.150) 15.388 10.141 ( -2.296 -2.010 -2.963) 4.253 10.498 ( 0.030 15.356 -6.102) 16.524 11.929 ( -0.568 -9.117 4.522) 10.192 12.973 ( 6.117 -6.971 1.555) 9.403 ======================= Grid point 972 (340/489) ======================= q-point: (-0.18 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -3.463 -2.934 -4.009) 6.056 2.879 ( -13.138 8.703 0.466) 15.766 4.306 ( -1.033 -5.262 -6.247) 8.233 4.668 ( -10.543 8.722 0.547) 13.694 5.983 ( 2.415 -0.237 1.615) 2.915 6.210 ( -6.682 -9.543 6.566) 13.373 7.497 ( -15.210 27.568 -4.133) 31.755 8.893 ( -3.191 -5.637 -8.542) 10.720 9.944 ( -14.233 -5.482 -0.926) 15.280 10.633 ( 2.061 10.895 -11.667) 16.095 11.820 ( -3.072 -8.654 6.557) 11.284 13.020 ( 6.519 -6.601 1.535) 9.404 ======================= Grid point 981 (341/489) ======================= q-point: ( 0.35 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -0.000 15.379 7.497) 17.109 1.552 ( -0.000 6.131 15.214) 16.403 2.777 ( 0.000 27.761 -3.025) 27.925 3.838 ( 0.000 6.363 -2.033) 6.680 4.751 ( 0.000 24.151 -0.497) 24.156 6.547 ( -0.000 -7.839 2.728) 8.300 6.698 ( 0.000 -2.873 -4.007) 4.931 8.106 ( 0.000 37.309 -1.592) 37.343 8.498 ( -0.000 17.580 2.478) 17.754 9.570 ( -0.000 4.396 3.018) 5.332 12.346 ( -0.000 -11.652 2.545) 11.927 13.085 ( 0.000 3.555 -9.037) 9.712 ======================= Grid point 982 (342/489) ======================= q-point: ( 0.41 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 0.405 6.048 10.464) 12.093 1.816 ( 8.893 15.285 5.714) 18.584 3.053 ( 2.856 24.271 -5.249) 24.996 3.978 ( 7.799 7.551 -0.953) 10.898 5.014 ( 1.780 24.399 0.731) 24.475 6.467 ( -1.330 -6.455 2.547) 7.066 6.876 ( 23.736 -3.503 -4.830) 24.474 8.122 ( -24.531 31.909 -1.274) 40.269 8.932 ( 13.050 17.331 1.860) 21.774 9.749 ( 15.313 3.297 6.257) 16.867 12.219 ( -2.285 -10.570 2.727) 11.153 13.026 ( -6.619 4.054 -9.487) 12.258 ======================= Grid point 983 (343/489) ======================= q-point: ( 0.47 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 2.408 5.398 5.022) 7.756 2.177 ( 11.770 15.616 3.601) 19.884 3.321 ( 5.167 18.690 -5.895) 20.267 4.225 ( 10.531 8.887 -0.584) 13.792 5.301 ( 3.692 21.656 1.987) 22.058 6.385 ( -2.038 -5.926 2.687) 6.818 7.362 ( 34.948 -1.224 -5.902) 35.464 8.030 ( -20.478 30.356 -1.170) 36.636 9.191 ( 3.507 6.860 5.430) 9.426 10.156 ( 21.033 4.741 1.034) 21.586 12.092 ( -2.856 -7.475 4.687) 9.273 12.896 ( -8.701 4.647 -8.622) 13.101 ======================= Grid point 984 (344/489) ======================= q-point: ( 0.53 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 4.329 4.428 0.325) 6.201 2.542 ( 9.846 16.233 1.991) 19.090 3.564 ( 7.102 12.288 -5.578) 15.249 4.500 ( 9.088 11.024 -0.365) 14.292 5.582 ( 5.492 16.088 2.715) 17.215 6.296 ( -2.687 -5.446 2.594) 6.604 7.873 ( 0.601 23.655 -6.736) 24.603 8.124 ( 20.862 7.758 -0.496) 22.263 9.300 ( 2.487 1.460 7.468) 8.006 10.482 ( 12.860 1.203 -7.340) 14.856 12.018 ( -1.934 -2.944 7.535) 8.318 12.778 ( -6.099 3.550 -6.015) 9.272 ======================= Grid point 985 (345/489) ======================= q-point: ( 0.59 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 5.264 3.311 -2.650) 6.760 2.848 ( 5.432 16.609 1.038) 17.505 3.778 ( 8.607 6.531 -5.017) 11.912 4.746 ( 4.749 13.252 -0.158) 14.078 5.831 ( 6.936 9.215 3.104) 11.944 6.202 ( -2.856 -5.148 2.474) 6.386 7.948 ( -15.349 32.329 -4.227) 36.036 8.726 ( 35.412 0.791 -2.993) 35.548 9.373 ( 3.532 -1.693 5.937) 7.113 10.585 ( 3.247 0.494 -11.965) 12.407 12.006 ( -1.760 0.221 7.411) 7.620 12.721 ( -0.659 -0.337 -2.064) 2.193 ======================= Grid point 986 (346/489) ======================= q-point: ( 0.65 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 5.313 2.214 -3.813) 6.905 3.070 ( 0.579 16.236 0.714) 16.262 3.960 ( 9.191 2.128 -4.726) 10.552 4.922 ( -0.737 14.647 0.023) 14.665 6.011 ( 3.732 2.531 1.448) 4.736 6.131 ( 1.213 -4.760 4.471) 6.642 7.996 ( -14.649 31.808 -4.219) 35.273 9.200 ( 15.248 -4.107 -1.583) 15.871 9.490 ( 14.389 0.536 -1.399) 14.467 10.586 ( -0.774 6.339 -9.612) 11.540 11.989 ( -2.688 -0.850 4.888) 5.642 12.723 ( 3.944 -5.343 0.949) 6.708 ======================= Grid point 987 (347/489) ======================= q-point: ( 0.71 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 4.561 1.132 -3.812) 6.051 3.202 ( -3.790 15.063 0.678) 15.547 4.104 ( 8.493 -0.992 -4.775) 9.794 5.015 ( -5.648 14.665 0.228) 15.716 5.994 ( -2.097 -2.116 0.271) 2.992 6.207 ( 6.738 -4.814 6.067) 10.266 8.036 ( -15.000 29.924 -4.059) 33.718 9.209 ( -0.564 -7.232 -4.671) 8.628 9.803 ( 16.045 1.825 -6.283) 17.328 10.652 ( -1.222 14.495 -3.877) 15.054 11.926 ( -2.173 -5.853 3.352) 7.086 12.746 ( 6.158 -8.803 1.890) 10.908 ======================= Grid point 988 (348/489) ======================= q-point: (-0.24 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 2.655 0.034 -3.555) 4.437 3.246 ( -7.760 13.262 0.557) 15.375 4.197 ( 6.351 -3.153 -4.988) 8.669 5.026 ( -9.269 13.327 0.484) 16.241 5.950 ( -0.521 -1.849 0.754) 2.064 6.257 ( 3.480 -7.844 5.837) 10.378 8.041 ( -15.439 26.293 -2.632) 30.604 9.084 ( -5.220 -1.387 -8.472) 10.047 9.995 ( 8.917 -2.311 -7.475) 11.863 10.759 ( -5.959 18.371 -1.364) 19.361 11.834 ( 0.388 -10.740 3.467) 11.292 12.774 ( 7.243 -9.912 1.827) 12.412 ======================= Grid point 989 (349/489) ======================= q-point: (-0.18 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -0.689 -0.846 -3.464) 3.632 3.200 ( -11.678 10.823 0.288) 15.925 4.221 ( 2.638 -4.430 -5.268) 7.371 4.967 ( -11.597 11.029 0.720) 16.021 5.947 ( 1.463 -1.236 0.961) 2.143 6.207 ( -1.482 -9.529 5.541) 11.122 8.024 ( -14.105 23.535 0.117) 27.438 8.953 ( -8.141 5.159 -9.453) 13.500 9.988 ( -1.627 -8.814 -6.832) 11.270 10.796 ( -7.681 16.344 -3.922) 18.480 11.760 ( 1.453 -10.274 5.217) 11.614 12.817 ( 8.049 -9.121 1.445) 12.251 ======================= Grid point 999 (350/489) ======================= q-point: ( 0.41 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -0.000 5.561 8.197) 9.905 1.903 ( -0.000 15.100 4.547) 15.770 3.250 ( 0.000 22.484 -6.257) 23.339 3.989 ( -0.000 8.758 0.667) 8.783 5.255 ( 0.000 25.174 0.063) 25.174 6.424 ( -0.000 -6.376 3.079) 7.080 6.612 ( 0.000 -2.266 -4.794) 5.302 8.798 ( 0.000 31.645 -3.431) 31.831 8.886 ( -0.000 18.808 2.090) 18.923 9.636 ( -0.000 -2.392 11.674) 11.917 12.144 ( -0.000 -9.304 2.010) 9.519 13.086 ( 0.000 3.388 -9.955) 10.516 ======================= Grid point 1000 (351/489) ======================= q-point: ( 0.47 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -0.332 5.266 4.435) 6.893 2.149 ( 8.811 14.283 3.199) 17.085 3.446 ( 0.848 18.927 -6.058) 19.891 4.152 ( 7.368 9.178 1.212) 11.832 5.505 ( 0.296 23.210 0.054) 23.212 6.366 ( -1.128 -5.402 3.137) 6.348 6.786 ( 23.118 -1.811 -4.734) 23.667 8.727 ( -22.586 28.097 -0.998) 36.063 9.229 ( 3.554 9.428 4.535) 11.049 9.851 ( 18.905 2.365 6.882) 20.257 12.062 ( -0.796 -6.308 2.612) 6.874 13.035 ( -5.393 3.601 -9.194) 11.250 ======================= Grid point 1001 (352/489) ======================= q-point: ( 0.53 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 1.031 4.862 1.036) 5.077 2.493 ( 12.659 13.490 1.929) 18.600 3.614 ( 1.349 14.414 -5.143) 15.364 4.418 ( 11.165 9.574 1.067) 14.747 5.722 ( 0.226 18.496 0.288) 18.499 6.298 ( -2.240 -4.342 2.815) 5.639 7.297 ( 37.108 -0.605 -4.722) 37.412 8.628 ( -20.119 27.088 0.674) 33.749 9.324 ( 0.142 2.512 7.697) 8.098 10.221 ( 16.852 2.139 -1.496) 17.053 12.019 ( -0.073 -2.958 4.388) 5.293 12.923 ( -7.813 3.617 -7.195) 11.220 ======================= Grid point 1002 (353/489) ======================= q-point: ( 0.59 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 2.596 4.245 -1.209) 5.121 2.851 ( 11.776 13.112 1.008) 17.652 3.749 ( 2.236 9.615 -4.012) 10.656 4.722 ( 11.201 10.351 0.723) 15.268 5.884 ( 0.615 11.788 0.905) 11.839 6.219 ( -3.392 -3.311 1.971) 5.133 7.970 ( 38.803 1.670 -5.647) 39.248 8.592 ( -13.744 24.647 3.278) 28.410 9.361 ( -0.556 0.686 5.857) 5.923 10.450 ( 9.504 1.637 -6.309) 11.525 12.025 ( 0.739 -1.542 5.498) 5.758 12.796 ( -7.339 1.945 -4.370) 8.760 ======================= Grid point 1003 (354/489) ======================= q-point: ( 0.65 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 3.497 3.438 -2.178) 5.366 3.160 ( 7.595 13.376 0.539) 15.391 3.860 ( 3.704 4.660 -3.122) 6.722 5.005 ( 7.605 11.869 0.317) 14.100 5.993 ( 2.079 4.344 2.006) 5.217 6.127 ( -4.072 -2.849 1.007) 5.071 8.436 ( 2.009 14.776 -5.605) 15.931 8.815 ( 20.087 10.761 3.758) 23.096 9.364 ( 0.443 -0.682 1.617) 1.810 10.581 ( 4.891 6.336 -6.808) 10.508 12.028 ( -0.810 -2.617 4.572) 5.330 12.680 ( -4.392 -2.292 -1.435) 5.158 ======================= Grid point 1004 (355/489) ======================= q-point: ( 0.71 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 3.635 2.499 -2.294) 4.972 3.381 ( 1.595 14.011 0.486) 14.110 3.952 ( 5.572 -0.178 -2.825) 6.250 5.214 ( 1.054 13.785 -0.018) 13.825 6.027 ( -4.095 -0.924 -0.569) 4.236 6.069 ( 4.668 -4.687 4.113) 7.790 8.506 ( -8.838 18.563 -2.727) 20.740 9.132 ( 4.098 -1.926 1.284) 4.707 9.523 ( 16.697 7.165 -4.791) 18.791 10.735 ( 4.612 12.398 -3.671) 13.728 11.955 ( -4.738 -5.237 2.622) 7.534 12.593 ( 0.560 -7.857 0.834) 7.921 ======================= Grid point 1005 (356/489) ======================= q-point: ( 0.76 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 2.907 1.553 -2.223) 3.975 3.496 ( -4.611 13.492 0.503) 14.268 4.032 ( 6.740 -3.413 -3.067) 8.153 5.311 ( -6.210 14.259 0.058) 15.553 5.951 ( -2.058 -2.185 -0.400) 3.028 6.110 ( 5.383 -8.442 4.365) 10.922 8.491 ( -11.646 15.204 -0.411) 19.156 9.130 ( -0.276 1.527 -3.297) 3.644 9.827 ( 8.807 7.848 -8.052) 14.283 10.959 ( 3.938 16.139 0.456) 16.619 11.781 ( -6.394 -9.811 1.305) 11.783 12.553 ( 5.500 -11.186 1.823) 12.597 ======================= Grid point 1006 (357/489) ======================= q-point: (-0.18 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 1.041 0.895 -2.394) 2.760 3.494 ( -9.492 10.248 0.257) 13.971 4.093 ( 5.454 -3.549 -3.591) 7.432 5.287 ( -11.312 11.503 0.587) 16.144 5.914 ( 0.488 -2.157 -0.103) 2.213 6.111 ( 3.247 -9.433 4.145) 10.803 8.424 ( -11.218 11.589 3.951) 16.606 9.143 ( -3.174 9.521 -8.161) 12.936 9.910 ( -1.491 1.978 -9.056) 9.388 11.114 ( -7.878 16.015 0.374) 17.852 11.615 ( 2.266 -12.219 2.897) 12.761 12.574 ( 8.648 -10.393 1.618) 13.617 ======================= Grid point 1017 (358/489) ======================= q-point: ( 0.47 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -0.000 4.958 2.726) 5.658 2.216 ( -0.000 13.313 2.292) 13.508 3.604 ( 0.000 16.909 -5.237) 17.701 4.184 ( -0.000 9.081 2.082) 9.317 5.731 ( 0.000 21.378 -1.438) 21.426 6.340 ( -0.000 -3.855 3.423) 5.155 6.549 ( 0.000 -0.761 -3.628) 3.707 9.269 ( -0.000 17.690 1.098) 17.724 9.286 ( 0.000 16.776 -0.062) 16.777 9.665 ( -0.000 -2.103 12.110) 12.292 12.026 ( -0.000 -3.251 1.616) 3.630 13.083 ( 0.000 3.043 -8.726) 9.242 ======================= Grid point 1018 (359/489) ======================= q-point: ( 0.53 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -0.664 4.981 1.057) 5.135 2.430 ( 8.660 11.818 1.397) 14.718 3.739 ( -0.530 13.923 -3.917) 14.473 4.347 ( 7.294 8.495 1.904) 11.358 5.907 ( -0.851 15.708 -1.855) 15.840 6.314 ( -1.621 -0.785 2.872) 3.391 6.742 ( 22.811 0.191 -2.738) 22.976 9.197 ( -18.491 14.497 4.429) 23.910 9.401 ( -0.981 6.861 5.949) 9.134 9.941 ( 17.720 3.261 2.249) 18.157 12.014 ( -0.139 -0.176 1.755) 1.769 13.043 ( -4.579 2.950 -7.147) 8.986 ======================= Grid point 1019 (360/489) ======================= q-point: ( 0.59 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 0.117 4.906 0.092) 4.909 2.742 ( 13.189 10.160 0.709) 16.664 3.838 ( -1.065 10.717 -2.582) 11.075 4.606 ( 11.840 7.682 1.335) 14.177 6.000 ( -1.220 7.433 -0.897) 7.586 6.285 ( -4.053 3.182 1.060) 5.261 7.280 ( 37.111 1.393 -2.378) 37.214 9.044 ( -13.932 8.025 9.446) 18.648 9.464 ( -3.820 9.982 2.027) 10.878 10.247 ( 14.093 2.208 -1.398) 14.334 12.023 ( -0.197 0.446 2.306) 2.357 12.941 ( -7.559 2.458 -4.975) 9.377 ======================= Grid point 1020 (361/489) ======================= q-point: ( 0.65 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 1.229 4.432 -0.248) 4.606 3.078 ( 13.606 8.875 0.276) 16.247 3.901 ( -1.387 7.448 -1.380) 7.701 4.909 ( 13.397 7.243 0.803) 15.251 6.019 ( -0.802 0.545 0.676) 1.182 6.234 ( -6.675 4.750 -1.016) 8.255 7.974 ( 38.879 2.178 -3.424) 39.090 8.964 ( -6.215 5.144 11.294) 13.879 9.471 ( -6.875 9.784 -0.410) 11.965 10.492 ( 10.789 6.175 -3.186) 12.833 12.017 ( -0.755 -2.371 2.591) 3.592 12.796 ( -9.154 0.760 -2.948) 9.647 ======================= Grid point 1021 (362/489) ======================= q-point: ( 0.71 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 1.930 3.595 -0.287) 4.090 3.386 ( 11.176 8.600 0.103) 14.102 3.928 ( -1.565 3.609 -0.609) 3.980 5.210 ( 11.692 7.836 0.318) 14.078 6.000 ( 0.034 -3.378 1.809) 3.832 6.137 ( -8.026 2.633 -1.929) 8.664 8.525 ( 19.397 2.246 -4.922) 20.137 9.042 ( 6.021 1.115 9.422) 11.237 9.473 ( -1.555 12.601 -0.250) 12.699 10.738 ( 8.225 12.259 -3.649) 15.207 11.956 ( -2.046 -7.086 2.432) 7.766 12.619 ( -9.053 -2.487 -1.428) 9.496 ======================= Grid point 1022 (363/489) ======================= q-point: ( 0.76 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 2.063 2.662 -0.407) 3.392 3.634 ( 5.758 10.445 0.228) 11.929 3.916 ( -0.231 -1.873 -0.685) 2.008 5.459 ( 5.837 10.057 -0.075) 11.629 5.973 ( 1.564 -5.982 2.632) 6.720 5.999 ( -7.002 -1.743 -1.927) 7.468 8.702 ( 1.452 4.912 -1.647) 5.380 9.094 ( 0.038 -3.351 1.574) 3.702 9.764 ( 12.619 16.345 -0.401) 20.654 10.998 ( 6.939 14.581 -1.719) 16.239 11.813 ( -5.231 -10.194 1.306) 11.532 12.439 ( -4.793 -6.847 -0.035) 8.358 ======================= Grid point 1023 (364/489) ======================= q-point: (-0.18 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 1.490 2.028 -0.862) 2.660 3.738 ( -7.385 8.503 0.734) 11.286 3.934 ( 7.855 -3.112 -1.909) 8.662 5.576 ( -6.858 11.446 0.273) 13.346 5.870 ( 0.172 -7.425 -1.239) 7.530 5.966 ( 3.212 -5.592 2.547) 6.933 8.709 ( -7.773 7.862 4.198) 11.826 9.092 ( 5.531 -4.340 -5.035) 8.648 10.044 ( -0.677 15.990 -4.903) 16.739 11.258 ( 7.960 10.279 3.243) 13.399 11.575 ( -10.332 -9.301 -1.396) 13.972 12.353 ( 4.296 -8.265 1.069) 9.376 ======================= Grid point 1035 (365/489) ======================= q-point: ( 0.53 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -0.000 5.063 0.975) 5.157 2.467 ( -0.000 10.314 0.732) 10.340 3.868 ( 0.000 12.155 -2.135) 12.341 4.367 ( -0.000 7.324 1.697) 7.518 6.027 ( 0.000 7.360 -2.078) 7.648 6.364 ( -0.000 6.014 1.161) 6.125 6.535 ( 0.000 0.929 -0.683) 1.153 9.441 ( -0.000 -5.793 16.430) 17.421 9.600 ( 0.000 14.421 -0.068) 14.421 9.773 ( 0.000 8.226 -1.093) 8.298 12.034 ( -0.000 2.846 0.366) 2.869 13.086 ( 0.000 2.505 -6.058) 6.555 ======================= Grid point 1036 (366/489) ======================= q-point: ( 0.59 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -0.873 5.170 1.250) 5.390 2.640 ( 8.437 8.325 0.220) 11.855 3.962 ( -1.453 9.946 -0.552) 10.067 4.505 ( 7.323 5.824 0.990) 9.408 6.053 ( -0.684 1.023 -0.737) 1.435 6.417 ( -3.088 8.863 -1.445) 9.496 6.756 ( 22.699 1.989 0.469) 22.790 9.300 ( -10.808 -7.312 16.418) 20.972 9.683 ( -4.139 15.530 -1.168) 16.115 10.016 ( 13.961 3.510 0.027) 14.395 12.061 ( -1.117 3.585 -0.128) 3.757 13.053 ( -4.259 2.181 -4.400) 6.500 ======================= Grid point 1037 (367/489) ======================= q-point: ( 0.65 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -0.616 4.860 1.662) 5.173 2.910 ( 13.365 6.174 -0.075) 14.722 4.016 ( -2.563 7.801 0.696) 8.241 4.734 ( 12.468 4.228 0.432) 13.173 6.032 ( -1.130 -1.401 0.058) 1.801 6.410 ( -6.317 7.200 -3.173) 10.090 7.316 ( 36.514 2.640 0.512) 36.613 9.113 ( -7.950 -6.841 14.652) 18.019 9.729 ( -7.304 13.433 -0.430) 15.296 10.306 ( 15.268 4.087 -0.220) 15.807 12.050 ( -3.162 1.092 -0.220) 3.353 12.953 ( -7.876 1.575 -2.887) 8.535 ======================= Grid point 1038 (368/489) ======================= q-point: ( 0.71 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 0.082 4.024 1.829) 4.421 3.212 ( 14.779 4.329 -0.196) 15.401 4.033 ( -3.814 5.617 1.622) 6.980 5.016 ( 15.211 2.994 0.102) 15.504 5.991 ( -1.386 -2.235 0.407) 2.662 6.318 ( -9.036 3.896 -3.777) 10.540 8.004 ( 36.641 2.082 -1.279) 36.722 9.014 ( -0.761 -5.646 12.288) 13.545 9.709 ( -8.512 11.169 2.165) 14.209 10.633 ( 15.184 8.294 -1.538) 17.370 11.961 ( -5.397 -3.956 -0.066) 6.691 12.790 ( -10.927 0.494 -2.003) 11.120 ======================= Grid point 1039 (369/489) ======================= q-point: (-0.24 -0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 0.686 3.005 1.569) 3.458 3.501 ( 14.050 2.766 -0.291) 14.323 4.004 ( -5.605 3.533 2.011) 6.924 5.312 ( 15.342 1.986 -0.121) 15.471 5.944 ( -1.478 -2.594 0.786) 3.087 6.152 ( -10.726 0.610 -3.518) 11.305 8.508 ( 19.502 -1.244 -3.449) 19.844 9.072 ( 4.968 -1.101 7.493) 9.058 9.749 ( 2.466 9.864 6.345) 11.985 10.978 ( 12.628 12.160 -2.808) 17.754 11.786 ( -6.280 -10.096 0.493) 11.901 12.572 ( -12.694 -0.740 -1.662) 12.824 ======================= Grid point 1053 (370/489) ======================= q-point: ( 0.59 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -0.000 5.080 2.384) 5.612 2.638 ( 0.000 6.450 -0.227) 6.454 4.072 ( -0.000 8.438 1.566) 8.582 4.490 ( 0.000 4.120 0.049) 4.120 6.054 ( 0.000 -1.128 -0.396) 1.195 6.531 ( 0.000 8.803 -4.091) 9.707 6.576 ( -0.000 2.158 3.159) 3.826 9.377 ( -0.000 -12.338 20.320) 23.773 9.837 ( 0.000 9.258 -1.169) 9.332 9.934 ( 0.000 8.689 -1.639) 8.842 12.115 ( 0.000 4.649 -1.350) 4.841 13.097 ( 0.000 1.876 -3.227) 3.733 ======================= Grid point 1054 (371/489) ======================= q-point: ( 0.65 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -1.104 4.559 3.308) 5.739 2.766 ( 8.230 4.183 -0.468) 9.244 4.139 ( -1.986 6.821 3.069) 7.738 4.588 ( 7.390 2.249 -0.573) 7.746 6.032 ( -0.707 -1.576 -0.330) 1.758 6.551 ( -3.719 5.548 -4.936) 8.305 6.822 ( 22.349 2.821 3.605) 22.813 9.227 ( -8.477 -11.073 17.065) 22.038 9.953 ( -2.458 11.619 1.056) 11.923 10.078 ( 11.979 2.273 -0.345) 12.198 12.126 ( -2.859 2.831 -1.906) 4.452 13.068 ( -4.288 1.636 -2.114) 5.053 ======================= Grid point 1055 (372/489) ======================= q-point: (-0.29 -0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -1.213 3.499 3.654) 5.203 2.989 ( 13.431 1.905 -0.506) 13.575 4.164 ( -3.507 5.176 3.962) 7.402 4.780 ( 12.946 0.517 -0.674) 12.974 5.998 ( -1.319 -1.449 -0.418) 2.004 6.476 ( -6.992 2.091 -5.584) 9.189 7.383 ( 35.249 2.449 2.941) 35.456 9.044 ( -5.844 -9.122 13.583) 17.374 9.966 ( -7.649 8.856 3.702) 12.274 10.382 ( 18.435 2.896 0.059) 18.661 12.048 ( -6.555 -0.786 -2.272) 6.982 12.966 ( -8.408 1.345 -1.545) 8.654 ======================= Grid point 1056 (373/489) ======================= q-point: (-0.24 -0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -0.617 2.231 3.305) 4.035 3.251 ( 15.255 -0.154 -0.385) 15.261 4.148 ( -5.096 3.454 4.189) 7.446 5.032 ( 15.971 -1.176 -0.610) 16.026 5.956 ( -1.715 -1.069 -0.392) 2.059 6.317 ( -9.351 -0.926 -5.207) 10.743 8.027 ( 32.724 0.522 -0.120) 32.728 8.978 ( 3.275 -5.471 10.881) 12.612 9.918 ( -7.717 5.834 6.761) 11.802 10.753 ( 19.776 3.466 -0.170) 20.078 11.867 ( -10.041 -4.171 -2.620) 11.184 12.793 ( -12.022 1.139 -1.562) 12.177 ======================= Grid point 1071 (374/489) ======================= q-point: (-0.35 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -0.000 3.555 4.465) 5.707 2.721 ( 0.000 2.015 -0.748) 2.150 4.235 ( -0.000 5.296 5.173) 7.403 4.531 ( 0.000 0.529 -1.522) 1.611 6.022 ( 0.000 -1.240 -0.731) 1.439 6.611 ( 0.000 2.735 -7.060) 7.572 6.659 ( -0.000 2.411 6.436) 6.873 9.258 ( -0.000 -12.795 18.464) 22.464 9.948 ( 0.000 2.751 -2.097) 3.459 10.111 ( -0.000 8.670 2.928) 9.151 12.169 ( 0.000 1.396 -2.707) 3.046 13.117 ( 0.000 1.680 -1.310) 2.130 ======================= Grid point 1072 (375/489) ======================= q-point: (-0.29 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -1.277 2.002 4.883) 5.430 2.801 ( 8.186 -0.344 -0.808) 8.233 4.280 ( -2.275 3.659 6.216) 7.563 4.590 ( 7.546 -1.130 -1.539) 7.784 6.003 ( -0.760 -0.697 -1.113) 1.517 6.555 ( -3.900 -1.076 -7.001) 8.086 6.910 ( 21.809 2.219 6.022) 22.734 9.117 ( -7.253 -10.647 14.845) 19.655 10.077 ( 10.822 -2.499 -1.072) 11.158 10.190 ( -0.806 9.925 5.848) 11.548 12.123 ( -3.935 -1.734 -3.324) 5.435 13.091 ( -4.511 1.758 -0.954) 4.935 ======================= Grid point 1073 (376/489) ======================= q-point: (-0.24 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( -1.386 0.264 4.498) 4.714 2.979 ( 13.655 -2.495 -0.634) 13.896 4.274 ( -4.068 1.753 6.241) 7.653 4.751 ( 13.121 -2.604 -1.093) 13.422 5.975 ( -1.380 -0.030 -1.272) 1.877 6.409 ( -6.508 -4.324 -6.728) 10.311 7.448 ( 33.326 1.375 4.213) 33.619 8.958 ( -4.123 -7.902 11.269) 14.367 10.100 ( -4.123 -1.088 4.648) 6.308 10.445 ( 16.259 4.160 3.739) 17.194 11.975 ( -7.643 -4.260 -4.131) 9.676 12.987 ( -8.897 1.776 -1.139) 9.143 ======================= Grid point 1089 (377/489) ======================= q-point: (-0.29 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -0.000 -0.179 5.360) 5.363 2.707 ( 0.000 -2.779 -0.975) 2.945 4.353 ( -0.000 1.510 7.763) 7.909 4.497 ( 0.000 -2.487 -1.945) 3.157 6.001 ( 0.000 0.147 -1.708) 1.714 6.537 ( 0.000 -4.642 -8.326) 9.533 6.754 ( -0.000 1.640 8.006) 8.172 9.141 ( -0.000 -10.276 14.976) 18.163 9.916 ( 0.000 -4.233 -2.777) 5.062 10.327 ( -0.000 8.462 8.530) 12.015 12.112 ( 0.000 -4.771 -4.114) 6.300 13.148 ( 0.000 2.109 -0.741) 2.235 ======================= Grid point 1090 (378/489) ======================= q-point: (-0.24 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -1.195 -2.550 5.029) 5.764 2.740 ( 8.448 -5.079 -0.862) 9.895 4.362 ( -2.415 -0.937 7.586) 8.017 4.529 ( 7.694 -3.649 -1.255) 8.607 5.994 ( -0.782 1.061 -1.951) 2.355 6.408 ( -3.518 -8.146 -7.717) 11.759 6.990 ( 21.067 1.034 6.895) 22.191 9.024 ( -6.720 -7.680 11.577) 15.433 9.950 ( 9.534 -9.145 -1.781) 13.331 10.439 ( 0.338 8.280 11.401) 14.095 12.001 ( -3.659 -7.167 -5.169) 9.564 13.125 ( -4.815 2.214 -1.048) 5.403 ======================= Grid point 1107 (379/489) ======================= q-point: (-0.24 -0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -0.000 -5.581 4.939) 7.452 2.595 ( 0.000 -7.695 -0.939) 7.753 4.386 ( -0.000 -4.377 7.802) 8.946 4.414 ( 0.000 -4.418 -1.063) 4.544 6.010 ( 0.000 2.278 -2.271) 3.216 6.312 ( 0.000 -11.705 -7.815) 14.075 6.830 ( -0.000 0.276 7.567) 7.572 9.069 ( -0.000 -5.837 11.133) 12.571 9.743 ( 0.000 -10.643 -3.090) 11.083 10.551 ( -0.000 4.445 14.535) 15.199 11.928 ( 0.000 -8.860 -6.488) 10.982 13.187 ( 0.000 2.374 -1.498) 2.807 ======================= Grid point 1234 (380/489) ======================= q-point: ( 0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -0.000 0.000 17.244) 17.244 0.845 ( -0.000 0.000 17.244) 17.244 1.524 ( -0.000 0.000 30.476) 30.476 3.819 ( 0.000 -0.000 -6.539) 6.539 3.819 ( 0.000 -0.000 -6.539) 6.539 6.731 ( -0.000 0.000 1.841) 1.841 6.731 ( -0.000 0.000 1.841) 1.841 7.491 ( 0.000 -0.000 -8.770) 8.770 7.896 ( 0.000 -0.000 -0.225) 0.225 7.896 ( 0.000 -0.000 -0.225) 0.225 12.750 ( -0.000 0.000 4.993) 4.993 13.050 ( -0.000 0.000 2.935) 2.935 ======================= Grid point 1235 (381/489) ======================= q-point: ( 0.29 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 8.578 4.952 13.813) 16.997 1.088 ( 12.334 7.121 16.785) 22.013 1.696 ( 8.174 4.719 21.665) 23.632 3.851 ( 7.824 4.517 -5.067) 10.359 3.885 ( 4.543 2.623 -6.192) 8.116 6.653 ( -3.702 -2.137 1.029) 4.397 6.846 ( -4.007 -2.313 1.943) 5.018 7.237 ( 12.351 7.131 1.244) 14.316 7.989 ( 6.701 3.869 0.363) 7.746 8.700 ( 41.022 23.684 -18.097) 50.707 12.709 ( -4.949 -2.857 4.912) 7.535 12.994 ( -5.652 -3.263 1.014) 6.605 ======================= Grid point 1236 (382/489) ======================= q-point: ( 0.35 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 11.791 6.807 9.461) 16.579 1.364 ( 6.167 3.560 18.243) 19.584 2.119 ( 22.524 13.004 5.880) 26.665 3.981 ( 5.327 3.075 -5.319) 8.132 4.133 ( 16.672 9.626 -1.428) 19.304 6.580 ( -2.360 -1.363 -0.612) 2.793 6.699 ( -6.222 -3.592 1.880) 7.426 7.800 ( 28.586 16.504 -2.071) 33.073 8.199 ( 10.823 6.249 1.432) 12.579 9.474 ( 30.779 17.770 -12.166) 37.565 12.560 ( -9.155 -5.285 4.392) 11.447 12.826 ( -7.510 -4.336 -2.473) 9.018 ======================= Grid point 1237 (383/489) ======================= q-point: ( 0.41 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 6.785 3.917 12.214) 14.511 1.630 ( 12.783 7.380 5.942) 15.912 2.692 ( 24.606 14.207 -1.086) 28.434 4.091 ( 5.470 3.158 -4.022) 7.488 4.580 ( 20.879 12.055 1.597) 24.162 6.546 ( -0.002 -0.001 -2.480) 2.480 6.574 ( -5.285 -3.051 1.752) 6.349 8.420 ( 24.621 14.215 -4.996) 28.865 8.493 ( 13.579 7.840 2.389) 15.861 10.084 ( 24.081 13.903 -2.676) 27.935 12.323 ( -12.150 -7.015 3.897) 14.561 12.671 ( -3.932 -2.270 -5.187) 6.894 ======================= Grid point 1238 (384/489) ======================= q-point: ( 0.47 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 8.137 4.698 4.991) 10.639 1.941 ( 12.333 7.120 3.472) 14.658 3.225 ( 21.638 12.493 -4.111) 25.321 4.203 ( 5.126 2.960 -2.484) 6.419 5.082 ( 20.920 12.078 3.200) 24.367 6.460 ( -5.144 -2.970 2.099) 6.300 6.562 ( 2.382 1.375 -4.259) 5.070 8.837 ( 14.896 8.600 2.998) 17.460 8.900 ( 18.247 10.535 -3.927) 21.433 10.553 ( 16.251 9.383 -4.464) 19.289 12.047 ( -12.122 -6.999 5.182) 14.926 12.629 ( 1.990 1.149 -4.501) 5.053 ======================= Grid point 1239 (385/489) ======================= q-point: ( 0.53 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 8.036 4.640 -0.693) 9.305 2.222 ( 10.788 6.228 1.964) 12.611 3.663 ( 17.429 10.063 -5.736) 20.927 4.309 ( 4.401 2.541 -0.922) 5.165 5.552 ( 17.920 10.346 3.707) 21.022 6.350 ( -4.943 -2.854 2.781) 6.349 6.621 ( 4.024 2.323 -5.800) 7.432 9.194 ( 14.452 8.344 3.242) 17.000 9.262 ( 14.026 8.098 -0.527) 16.205 10.752 ( 3.085 1.781 -16.853) 17.225 11.851 ( -5.582 -3.223 9.671) 11.622 12.721 ( 6.253 3.610 -1.199) 7.319 ======================= Grid point 1240 (386/489) ======================= q-point: ( 0.59 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 6.997 4.040 -4.091) 9.056 2.452 ( 8.379 4.838 1.232) 9.754 3.997 ( 13.277 7.666 -6.867) 16.799 4.399 ( 3.315 1.914 0.459) 3.855 5.920 ( 11.757 6.788 2.692) 13.840 6.262 ( -3.041 -1.756 4.757) 5.913 6.700 ( 4.541 2.622 -7.038) 8.777 9.518 ( 12.030 6.945 3.225) 14.260 9.566 ( 12.125 7.000 1.402) 14.071 10.582 ( -9.944 -5.741 -23.507) 26.162 11.870 ( 3.217 1.857 9.025) 9.760 12.877 ( 6.429 3.712 1.244) 7.527 ======================= Grid point 1241 (387/489) ======================= q-point: ( 0.65 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 5.491 3.170 -5.319) 8.276 2.616 ( 5.289 3.053 1.000) 6.188 4.236 ( 9.525 5.499 -7.819) 13.494 4.463 ( 1.847 1.066 1.476) 2.594 6.045 ( -0.795 -0.459 0.127) 0.926 6.314 ( 4.945 2.855 8.459) 10.206 6.774 ( 3.982 2.299 -7.908) 9.147 9.763 ( 7.770 4.486 3.094) 9.491 9.829 ( 9.088 5.247 -1.682) 10.628 10.212 ( -12.296 -7.099 -21.022) 25.368 12.002 ( 4.745 2.740 5.553) 7.801 13.009 ( 4.245 2.451 1.646) 5.171 ======================= Grid point 1242 (388/489) ======================= q-point: ( 0.71 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 3.280 1.894 -5.307) 6.520 2.702 ( 1.650 0.953 0.979) 2.142 4.385 ( 5.780 3.337 -8.461) 10.776 4.492 ( 0.031 0.018 1.961) 1.961 6.001 ( -2.032 -1.173 1.359) 2.712 6.438 ( 1.938 1.119 8.470) 8.760 6.824 ( 2.728 1.575 -8.319) 8.896 9.687 ( -13.693 -7.906 -20.235) 25.680 9.892 ( 2.230 1.288 2.984) 3.942 10.188 ( 10.336 5.967 -3.640) 12.478 12.093 ( 1.081 0.624 4.066) 4.253 13.088 ( 2.306 1.331 1.269) 2.949 ======================= Grid point 1243 (389/489) ======================= q-point: (-0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -0.217 -0.125 -5.113) 5.119 2.697 ( -2.408 -1.390 0.967) 2.944 4.441 ( 1.448 0.836 -8.477) 8.640 4.477 ( -1.962 -1.133 1.815) 2.903 5.980 ( -0.173 -0.100 2.199) 2.208 6.446 ( -3.912 -2.259 8.348) 9.492 6.841 ( 1.319 0.761 -8.200) 8.340 9.315 ( -11.306 -6.527 -17.210) 21.601 9.885 ( -3.743 -2.161 2.980) 5.250 10.417 ( 9.936 5.737 -7.958) 13.963 12.066 ( -4.747 -2.741 4.458) 7.066 13.137 ( 1.798 1.038 1.208) 2.402 ======================= Grid point 1252 (390/489) ======================= q-point: ( 0.29 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -0.000 6.990 14.661) 16.242 1.183 ( -0.000 14.148 16.222) 21.525 1.796 ( -0.000 9.860 19.948) 22.252 3.730 ( 0.000 -0.495 -5.912) 5.933 3.954 ( 0.000 13.928 -5.528) 14.985 6.785 ( -0.000 0.300 0.397) 0.497 6.869 ( -0.000 14.520 1.802) 14.632 7.013 ( -0.000 -17.249 1.933) 17.357 7.954 ( -0.000 7.101 0.540) 7.121 8.679 ( 0.000 44.813 -15.040) 47.269 12.727 ( -0.000 -5.904 5.107) 7.806 13.040 ( 0.000 -1.395 -0.115) 1.400 ======================= Grid point 1253 (391/489) ======================= q-point: ( 0.35 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 9.200 9.269 11.006) 17.079 1.397 ( 3.070 6.957 18.901) 20.374 2.047 ( 7.725 19.281 7.265) 22.005 3.806 ( 9.399 0.875 -4.644) 10.520 4.126 ( 3.708 18.109 -3.313) 18.779 6.672 ( -4.831 -1.308 0.296) 5.014 6.889 ( -11.569 8.205 1.750) 14.291 7.249 ( 28.055 -0.611 -1.377) 28.095 8.189 ( 11.268 15.178 1.646) 18.975 9.197 ( 18.808 28.629 -12.194) 36.360 12.631 ( -4.571 -8.183 4.669) 10.471 12.947 ( -8.068 -0.735 -2.649) 8.524 ======================= Grid point 1254 (392/489) ======================= q-point: ( 0.41 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 6.162 5.752 12.466) 15.049 1.564 ( 7.363 9.413 10.105) 15.650 2.490 ( 16.840 20.549 -0.977) 26.585 3.982 ( 9.223 2.910 -4.370) 10.613 4.445 ( 11.775 18.931 0.678) 22.305 6.590 ( -2.993 -2.908 0.721) 4.235 6.787 ( -13.676 16.030 -0.302) 21.074 7.759 ( 35.420 -8.090 -3.770) 36.527 8.579 ( 9.506 21.772 1.239) 23.789 9.780 ( 24.537 16.425 -4.493) 29.867 12.447 ( -8.311 -8.778 4.593) 12.932 12.768 ( -9.478 0.775 -5.069) 10.776 ======================= Grid point 1255 (393/489) ======================= q-point: ( 0.47 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 5.625 3.455 8.290) 10.597 1.880 ( 9.156 13.604 4.051) 16.891 2.989 ( 19.145 16.174 -3.804) 25.349 4.146 ( 6.232 5.736 -3.587) 9.198 4.892 ( 17.130 16.293 3.138) 23.848 6.501 ( -3.478 -4.314 1.530) 5.749 6.744 ( -11.242 19.473 -2.585) 22.634 8.281 ( 34.705 -7.570 -3.426) 35.685 8.934 ( 7.376 18.217 1.236) 19.693 10.308 ( 20.688 9.698 -3.431) 23.104 12.210 ( -11.116 -6.967 5.328) 14.160 12.640 ( -3.824 2.319 -5.119) 6.798 ======================= Grid point 1256 (394/489) ======================= q-point: ( 0.53 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 6.965 3.484 1.714) 7.974 2.176 ( 7.498 13.851 2.199) 15.903 3.437 ( 17.730 11.316 -4.971) 21.613 4.291 ( 3.805 7.704 -2.144) 8.856 5.361 ( 17.713 12.600 3.972) 22.097 6.398 ( -3.841 -4.377 2.062) 6.177 6.762 ( -8.483 20.412 -4.342) 22.527 8.788 ( 30.399 -3.114 -2.037) 30.626 9.218 ( 7.388 11.425 2.984) 13.929 10.616 ( 9.251 3.092 -12.400) 15.776 11.992 ( -9.511 -2.782 7.558) 12.463 12.656 ( 3.643 2.988 -1.692) 5.007 ======================= Grid point 1257 (395/489) ======================= q-point: ( 0.59 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 7.140 2.987 -2.738) 8.210 2.431 ( 5.273 12.965 1.271) 14.054 3.796 ( 14.948 7.125 -5.681) 17.507 4.417 ( 1.546 8.699 -0.662) 8.860 5.771 ( 14.730 8.453 3.803) 17.404 6.301 ( -3.151 -3.952 2.972) 5.864 6.820 ( -6.835 20.583 -5.765) 22.441 9.253 ( 24.055 1.084 -0.773) 24.092 9.451 ( 8.466 5.204 3.789) 10.635 10.596 ( -4.422 -2.002 -20.788) 21.348 11.910 ( -2.409 1.581 8.320) 8.805 12.786 ( 7.269 1.900 1.623) 7.686 ======================= Grid point 1258 (396/489) ======================= q-point: ( 0.65 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 6.571 2.235 -4.835) 8.459 2.626 ( 2.541 11.307 0.964) 11.629 4.065 ( 11.918 3.958 -6.307) 14.053 4.512 ( -0.682 8.653 0.489) 8.693 6.023 ( 4.661 2.052 0.979) 5.186 6.274 ( 3.341 -0.979 6.643) 7.500 6.889 ( -6.483 20.334 -6.848) 22.414 9.578 ( 10.673 -3.960 0.492) 11.395 9.688 ( 14.911 5.078 -0.407) 15.758 10.344 ( -12.451 0.374 -19.622) 23.242 11.970 ( 3.094 1.955 5.868) 6.916 12.928 ( 6.719 -0.293 2.407) 7.143 ======================= Grid point 1259 (397/489) ======================= q-point: ( 0.71 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 5.230 1.220 -5.261) 7.518 2.750 ( -0.699 9.224 0.931) 9.297 4.250 ( 8.767 1.660 -6.893) 11.275 4.567 ( -2.862 7.703 1.164) 8.299 6.023 ( -1.670 -1.652 0.559) 2.415 6.403 ( 5.703 -0.316 8.124) 9.931 6.948 ( -7.172 19.812 -7.423) 22.339 9.556 ( -0.016 -15.112 -10.687) 18.509 9.996 ( 12.812 6.996 -2.473) 14.805 10.133 ( -9.809 9.002 -7.301) 15.184 12.060 ( 3.612 -0.822 4.128) 5.546 13.024 ( 4.943 -2.171 1.785) 5.687 ======================= Grid point 1260 (398/489) ======================= q-point: (-0.24 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 2.568 -0.298 -5.137) 5.752 2.791 ( -4.449 6.984 0.917) 8.331 4.353 ( 5.067 -0.321 -7.345) 8.929 4.574 ( -4.994 6.260 1.393) 8.128 5.989 ( -0.669 -1.136 1.518) 2.010 6.473 ( 0.746 -3.580 8.018) 8.812 6.982 ( -8.393 19.173 -7.368) 22.189 9.282 ( -5.871 -14.192 -15.427) 21.768 10.068 ( -9.227 9.255 0.336) 13.073 10.256 ( 11.242 5.267 -6.188) 13.871 12.084 ( 0.084 -4.473 3.936) 5.959 13.079 ( 4.073 -3.005 1.199) 5.201 ======================= Grid point 1270 (399/489) ======================= q-point: ( 0.35 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -0.000 11.805 10.493) 15.794 1.512 ( -0.000 5.618 19.247) 20.051 2.227 ( -0.000 23.992 2.157) 24.089 3.727 ( 0.000 3.610 -3.326) 4.909 4.283 ( 0.000 21.213 -3.078) 21.435 6.734 ( -0.000 -10.257 1.753) 10.405 6.747 ( 0.000 -2.897 -2.477) 3.811 7.396 ( -0.000 31.513 1.991) 31.576 8.182 ( -0.000 14.076 1.778) 14.188 9.289 ( 0.000 24.430 -7.101) 25.441 12.589 ( -0.000 -10.703 4.104) 11.462 13.009 ( 0.000 0.486 -5.519) 5.540 ======================= Grid point 1271 (400/489) ======================= q-point: ( 0.41 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 7.955 12.598 7.963) 16.894 1.623 ( 0.508 3.776 16.056) 16.502 2.526 ( 5.615 25.365 -3.036) 26.156 3.843 ( 8.176 5.153 -2.239) 9.920 4.531 ( 3.771 23.024 -0.952) 23.350 6.596 ( -2.341 -5.315 0.959) 5.886 6.943 ( 19.871 -3.847 -3.123) 20.480 7.510 ( -15.618 26.312 0.421) 30.601 8.560 ( 16.416 19.110 1.916) 25.265 9.593 ( 13.288 15.425 -0.671) 20.370 12.458 ( -3.314 -11.428 3.768) 12.481 12.924 ( -7.573 2.007 -7.540) 10.874 ======================= Grid point 1272 (401/489) ======================= q-point: ( 0.47 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 2.010 2.994 9.932) 10.566 1.881 ( 9.924 14.873 4.886) 18.535 2.895 ( 10.731 21.138 -4.749) 24.177 4.058 ( 9.523 6.967 -2.238) 12.010 4.868 ( 8.499 21.601 1.679) 23.274 6.509 ( -2.371 -5.293 1.560) 6.006 7.206 ( -3.740 20.095 -2.844) 20.637 7.627 ( 18.861 2.427 -2.672) 19.204 8.974 ( 8.824 15.770 2.216) 18.206 10.032 ( 20.361 9.480 1.080) 22.485 12.288 ( -5.209 -9.795 4.859) 12.111 12.771 ( -8.967 3.902 -8.057) 12.670 ======================= Grid point 1273 (402/489) ======================= q-point: ( 0.53 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 4.217 2.981 3.631) 6.313 2.214 ( 8.138 16.560 2.594) 18.633 3.272 ( 13.142 14.715 -4.826) 20.310 4.282 ( 7.149 9.737 -2.030) 12.249 5.256 ( 11.975 17.051 3.236) 21.086 6.415 ( -2.928 -5.297 1.810) 6.317 7.246 ( -16.277 30.480 -2.868) 34.673 8.128 ( 36.758 -4.456 -3.760) 37.217 9.225 ( 5.254 9.031 4.467) 11.363 10.412 ( 14.171 4.033 -5.916) 15.878 12.129 ( -6.299 -5.264 6.767) 10.639 12.672 ( -3.408 4.164 -5.394) 7.619 ======================= Grid point 1274 (403/489) ======================= q-point: ( 0.59 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 5.617 2.707 -1.096) 6.331 2.508 ( 5.053 17.063 1.302) 17.843 3.605 ( 13.190 8.838 -4.610) 16.533 4.482 ( 3.590 12.135 -1.305) 12.722 5.634 ( 12.905 11.354 3.774) 17.599 6.316 ( -2.949 -5.125 1.993) 6.240 7.271 ( -15.129 31.422 -3.815) 35.082 8.720 ( 34.744 -1.483 -3.355) 34.937 9.392 ( 5.054 3.102 5.427) 8.038 10.539 ( 2.629 0.039 -14.144) 14.386 12.024 ( -5.218 0.126 6.733) 8.519 12.700 ( 3.782 1.675 -0.329) 4.149 ======================= Grid point 1275 (404/489) ======================= q-point: ( 0.65 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 6.073 2.213 -3.658) 7.427 2.740 ( 1.744 16.298 0.811) 16.411 3.875 ( 11.880 4.542 -4.617) 13.531 4.638 ( -0.175 13.132 -0.459) 13.141 5.938 ( 9.481 5.454 2.870) 11.308 6.238 ( -0.402 -4.376 3.408) 5.561 7.321 ( -13.890 31.494 -4.687) 34.739 9.240 ( 25.139 -1.167 -3.623) 25.426 9.511 ( 6.927 -0.992 2.452) 7.415 10.457 ( -5.262 2.444 -14.757) 15.856 11.995 ( -1.765 1.571 4.889) 5.430 12.802 ( 6.696 -1.938 2.391) 7.370 ======================= Grid point 1276 (405/489) ======================= q-point: ( 0.71 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 5.680 1.491 -4.454) 7.370 2.900 ( -1.615 14.677 0.742) 14.784 4.079 ( 9.875 1.624 -4.957) 11.168 4.735 ( -3.578 12.769 0.266) 13.263 6.030 ( -0.615 -1.187 0.173) 1.349 6.299 ( 7.483 -2.015 6.774) 10.293 7.380 ( -13.802 31.207 -5.161) 34.511 9.376 ( 2.090 -10.837 -7.876) 13.559 9.754 ( 17.129 2.198 -2.546) 17.456 10.373 ( -6.415 11.031 -7.416) 14.759 12.011 ( 1.277 -1.476 3.507) 4.014 12.893 ( 6.473 -4.923 2.420) 8.485 ======================= Grid point 1277 (406/489) ======================= q-point: ( 0.76 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 4.094 0.388 -4.475) 6.078 2.982 ( -5.151 12.670 0.728) 13.696 4.216 ( 7.213 -0.592 -5.546) 9.118 4.772 ( -6.444 11.581 0.797) 13.277 5.992 ( -1.030 -1.900 0.694) 2.270 6.408 ( 4.858 -4.627 6.939) 9.652 7.425 ( -14.595 30.414 -4.972) 34.099 9.187 ( -4.529 -11.277 -12.582) 17.492 10.012 ( 12.418 -0.975 -4.795) 13.348 10.391 ( -6.974 17.037 -1.775) 18.495 12.018 ( 2.031 -6.038 3.277) 7.164 12.948 ( 5.837 -6.504 1.679) 8.899 ======================= Grid point 1288 (407/489) ======================= q-point: ( 0.41 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -0.000 13.861 6.662) 15.379 1.710 ( -0.000 2.791 13.918) 14.195 2.732 ( 0.000 26.130 -5.227) 26.648 3.826 ( 0.000 7.288 -0.103) 7.289 4.742 ( 0.000 25.098 -1.201) 25.127 6.573 ( -0.000 -7.427 1.974) 7.685 6.654 ( 0.000 -3.472 -4.204) 5.452 8.101 ( 0.000 35.450 0.649) 35.456 8.522 ( -0.000 17.687 1.927) 17.792 9.616 ( -0.000 9.578 5.488) 11.039 12.375 ( -0.000 -12.272 2.751) 12.577 12.983 ( 0.000 2.463 -9.812) 10.116 ======================= Grid point 1289 (408/489) ======================= q-point: ( 0.47 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -0.613 3.143 8.997) 9.550 1.874 ( 8.334 13.838 4.899) 16.880 2.993 ( 2.999 23.622 -5.680) 24.479 3.976 ( 7.197 8.371 0.544) 11.053 5.016 ( 2.580 24.764 -0.251) 24.899 6.491 ( -1.414 -5.823 1.919) 6.292 6.825 ( 23.282 -3.861 -4.533) 24.032 8.116 ( -24.526 31.180 0.301) 39.671 8.950 ( 13.942 17.588 1.438) 22.489 9.829 ( 12.808 5.562 8.555) 16.376 12.250 ( -1.510 -10.882 2.917) 11.367 12.919 ( -6.127 3.802 -10.389) 12.646 ======================= Grid point 1290 (409/489) ======================= q-point: ( 0.53 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 0.862 3.035 4.210) 5.261 2.212 ( 11.231 14.895 2.823) 18.867 3.262 ( 5.383 18.520 -4.930) 19.906 4.223 ( 9.808 9.734 0.170) 13.819 5.317 ( 4.702 21.359 0.865) 21.888 6.411 ( -2.162 -5.522 2.006) 6.260 7.303 ( 34.201 -1.071 -5.034) 34.586 8.024 ( -20.392 30.144 0.146) 36.394 9.245 ( 4.723 8.858 4.442) 10.977 10.174 ( 16.184 3.478 2.470) 16.736 12.143 ( -1.246 -7.531 4.752) 8.991 12.802 ( -7.538 5.044 -8.841) 12.666 ======================= Grid point 1291 (410/489) ======================= q-point: ( 0.59 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 2.875 3.134 0.321) 4.265 2.560 ( 9.438 15.859 1.422) 18.509 3.513 ( 7.209 12.356 -3.893) 14.826 4.497 ( 8.602 11.772 -0.257) 14.582 5.607 ( 6.467 15.475 1.766) 16.865 6.319 ( -2.774 -5.281 1.716) 6.207 7.812 ( 4.733 20.348 -4.485) 21.367 8.118 ( 15.873 11.685 -0.492) 19.717 9.375 ( 2.353 2.316 6.170) 6.998 10.409 ( 8.423 0.850 -5.930) 10.336 12.091 ( -1.023 -3.160 5.842) 6.720 12.719 ( -3.888 3.810 -4.791) 7.251 ======================= Grid point 1292 (411/489) ======================= q-point: ( 0.65 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 4.211 2.994 -1.984) 5.535 2.858 ( 5.280 16.440 0.666) 17.280 3.733 ( 8.402 6.752 -3.125) 11.222 4.742 ( 4.587 13.717 -0.433) 14.470 5.860 ( 7.479 8.652 2.371) 11.680 6.224 ( -2.463 -5.203 1.591) 5.972 7.912 ( -15.446 32.314 -2.384) 35.895 8.693 ( 34.178 1.765 -3.185) 34.371 9.429 ( 2.003 -2.407 3.973) 5.059 10.471 ( 1.417 2.433 -8.811) 9.250 12.067 ( -2.319 -0.110 3.962) 4.592 12.709 ( 1.601 -0.792 -0.099) 1.789 ======================= Grid point 1293 (412/489) ======================= q-point: ( 0.71 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 4.678 2.539 -2.880) 6.052 3.076 ( 0.626 16.164 0.464) 16.183 3.918 ( 8.636 2.445 -2.953) 9.448 4.921 ( -0.609 14.794 -0.303) 14.810 6.021 ( 1.981 1.494 0.568) 2.546 6.177 ( 3.923 -4.349 3.983) 7.083 7.960 ( -15.394 32.432 -2.182) 35.967 9.159 ( 14.869 -2.435 -6.027) 16.228 9.481 ( 10.831 -1.766 -0.561) 10.988 10.505 ( 0.098 8.991 -5.236) 10.405 12.026 ( -2.982 -1.215 2.046) 3.815 12.739 ( 4.838 -5.828 2.053) 7.848 ======================= Grid point 1294 (413/489) ======================= q-point: ( 0.76 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 4.134 1.694 -3.079) 5.426 3.208 ( -3.729 14.998 0.463) 15.461 4.060 ( 7.732 -0.603 -3.364) 8.454 5.016 ( -5.367 14.619 0.095) 15.573 5.994 ( -1.680 -2.159 -0.144) 2.740 6.269 ( 7.256 -5.478 5.297) 10.522 8.005 ( -15.600 31.063 -1.600) 34.797 9.133 ( -3.223 -5.199 -9.417) 11.230 9.744 ( 15.219 -0.077 -4.462) 15.860 10.628 ( -0.327 16.094 -0.733) 16.113 11.952 ( -1.720 -6.233 1.630) 6.669 12.768 ( 6.132 -8.942 2.096) 11.044 ======================= Grid point 1306 (414/489) ======================= q-point: ( 0.47 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -0.000 2.649 6.388) 6.915 1.948 ( -0.000 14.027 3.641) 14.492 3.186 ( 0.000 22.474 -5.412) 23.117 4.005 ( -0.000 9.205 2.238) 9.473 5.249 ( 0.000 25.216 -1.209) 25.245 6.454 ( -0.000 -5.930 2.453) 6.417 6.564 ( 0.000 -2.174 -3.985) 4.539 8.771 ( 0.000 30.170 -1.539) 30.209 8.903 ( -0.000 18.652 1.152) 18.688 9.781 ( -0.000 -0.060 15.114) 15.114 12.164 ( -0.000 -9.527 1.655) 9.669 12.972 ( 0.000 3.948 -11.235) 11.908 ======================= Grid point 1307 (415/489) ======================= q-point: ( 0.53 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -0.935 3.191 3.371) 4.735 2.179 ( 8.640 13.474 2.335) 16.175 3.390 ( 0.922 19.254 -4.224) 19.734 4.171 ( 6.858 9.448 2.221) 11.884 5.498 ( 0.891 22.816 -1.356) 22.874 6.395 ( -1.295 -5.033 2.326) 5.694 6.742 ( 22.761 -1.414 -3.393) 23.056 8.721 ( -21.996 27.992 -0.123) 35.600 9.267 ( 6.380 12.114 2.403) 13.900 9.953 ( 13.249 -0.230 12.084) 17.934 12.087 ( 0.191 -6.493 1.978) 6.790 12.931 ( -4.797 4.724 -10.146) 12.176 ======================= Grid point 1308 (416/489) ======================= q-point: ( 0.59 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 0.173 3.783 1.155) 3.959 2.510 ( 12.464 12.986 1.250) 18.043 3.570 ( 1.385 14.848 -2.912) 15.194 4.432 ( 10.587 9.835 1.460) 14.524 5.718 ( 1.139 17.891 -1.037) 17.958 6.322 ( -2.502 -4.286 1.727) 5.255 7.255 ( 36.420 -0.017 -2.996) 36.544 8.639 ( -19.927 28.560 1.340) 34.851 9.401 ( 0.386 3.177 6.061) 6.854 10.225 ( 12.519 0.396 2.639) 12.801 12.060 ( 1.358 -3.511 3.170) 4.922 12.844 ( -6.650 4.795 -7.362) 11.019 ======================= Grid point 1309 (417/489) ======================= q-point: ( 0.65 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 1.716 4.054 -0.168) 4.406 2.860 ( 11.646 12.845 0.532) 17.347 3.718 ( 2.149 10.084 -1.771) 10.461 4.730 ( 10.712 10.629 0.692) 15.106 5.888 ( 1.717 11.359 -0.176) 11.490 6.234 ( -3.512 -3.740 0.767) 5.188 7.920 ( 37.012 2.174 -3.355) 37.228 8.626 ( -13.704 27.351 3.105) 30.750 9.420 ( -1.314 -0.978 4.631) 4.912 10.401 ( 6.885 2.113 -2.470) 7.614 12.072 ( 1.349 -2.254 3.164) 4.113 12.752 ( -5.711 2.451 -3.732) 7.250 ======================= Grid point 1310 (418/489) ======================= q-point: ( 0.71 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 2.738 3.819 -0.784) 4.764 3.164 ( 7.613 13.262 0.206) 15.293 3.837 ( 3.315 5.135 -1.092) 6.209 5.007 ( 7.243 12.098 0.097) 14.100 6.008 ( 2.582 4.587 0.757) 5.318 6.134 ( -3.266 -4.056 0.309) 5.217 8.394 ( 5.505 12.732 -2.068) 14.025 8.841 ( 13.789 16.420 1.212) 21.476 9.381 ( -1.084 -2.749 1.002) 3.120 10.530 ( 4.533 7.350 -2.583) 9.014 12.061 ( -1.260 -2.748 1.605) 3.423 12.669 ( -2.676 -2.699 -0.547) 3.840 ======================= Grid point 1311 (419/489) ======================= q-point: ( 0.76 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 2.980 3.085 -1.101) 4.428 3.385 ( 1.705 13.998 0.207) 14.103 3.931 ( 4.832 0.248 -1.169) 4.977 5.213 ( 0.984 13.864 -0.167) 13.900 6.017 ( -3.630 -1.170 -1.292) 4.027 6.109 ( 5.516 -5.368 3.235) 8.349 8.494 ( -8.215 18.118 0.832) 19.911 9.117 ( 0.829 1.964 -4.213) 4.722 9.484 ( 14.075 6.014 -2.415) 15.496 10.717 ( 5.919 12.958 0.235) 14.248 11.969 ( -5.160 -5.244 -0.019) 7.356 12.604 ( 1.635 -8.402 1.249) 8.650 ======================= Grid point 1324 (420/489) ======================= q-point: ( 0.53 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -0.000 3.603 2.140) 4.191 2.237 ( -0.000 12.617 1.513) 12.708 3.560 ( 0.000 17.565 -2.722) 17.775 4.210 ( -0.000 8.857 2.709) 9.262 5.709 ( 0.000 20.842 -2.616) 21.005 6.371 ( -0.000 -3.732 2.253) 4.359 6.520 ( 0.000 -0.021 -1.776) 1.776 9.271 ( 0.000 20.391 -1.946) 20.484 9.275 ( 0.000 17.456 0.010) 17.456 9.841 ( -0.000 -5.965 19.588) 20.476 12.037 ( -0.000 -3.432 0.391) 3.454 12.984 ( 0.000 4.664 -9.578) 10.653 ======================= Grid point 1325 (421/489) ======================= q-point: ( 0.59 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -0.944 4.431 1.572) 4.796 2.442 ( 8.625 11.322 0.730) 14.251 3.712 ( -0.669 14.661 -1.221) 14.727 4.368 ( 7.055 8.118 2.024) 10.944 5.883 ( -0.373 15.646 -2.728) 15.886 6.336 ( -1.784 -1.408 1.222) 2.580 6.724 ( 22.354 1.072 -0.457) 22.385 9.223 ( -16.883 20.721 1.127) 26.752 9.468 ( -0.671 5.545 5.170) 7.611 10.008 ( 13.761 -1.857 10.465) 17.387 12.025 ( 0.654 -0.603 0.200) 0.912 12.963 ( -4.092 4.640 -7.540) 9.753 ======================= Grid point 1326 (422/489) ======================= q-point: ( 0.65 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -0.405 4.982 1.496) 5.218 2.747 ( 13.173 9.854 0.195) 16.452 3.823 ( -1.284 11.451 -0.044) 11.523 4.619 ( 11.638 7.378 1.179) 13.830 5.987 ( -0.627 8.340 -1.599) 8.515 6.286 ( -4.072 1.450 -0.781) 4.393 7.267 ( 36.106 2.147 0.056) 36.170 9.132 ( -14.949 14.831 6.947) 22.174 9.495 ( -3.569 5.162 3.325) 7.102 10.255 ( 11.749 0.984 3.325) 12.250 12.038 ( 0.830 -0.323 0.496) 1.020 12.887 ( -6.830 3.713 -4.950) 9.216 ======================= Grid point 1327 (423/489) ======================= q-point: ( 0.71 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 0.548 4.866 1.425) 5.099 3.079 ( 13.629 8.707 -0.091) 16.173 3.898 ( -1.726 8.167 0.824) 8.388 4.916 ( 13.233 7.072 0.571) 15.015 6.023 ( -0.137 1.201 0.139) 1.216 6.213 ( -6.354 3.216 -2.729) 7.626 7.952 ( 37.084 2.539 -0.669) 37.177 9.076 ( -7.745 8.971 9.286) 15.056 9.474 ( -6.846 7.910 0.672) 10.483 10.476 ( 9.302 5.996 0.384) 11.074 12.034 ( 0.006 -3.028 0.505) 3.069 12.765 ( -8.364 1.250 -2.759) 8.896 ======================= Grid point 1342 (424/489) ======================= q-point: ( 0.59 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -0.000 5.097 2.133) 5.525 2.472 ( 0.000 9.910 0.168) 9.912 3.860 ( -0.000 13.043 0.697) 13.061 4.383 ( -0.000 6.598 1.369) 6.739 6.003 ( 0.000 8.730 -2.358) 9.043 6.365 ( 0.000 3.703 -0.920) 3.816 6.541 ( -0.000 2.059 1.859) 2.774 9.564 ( -0.000 7.110 5.110) 8.756 9.594 ( 0.000 14.203 -1.121) 14.247 9.843 ( -0.000 -4.888 15.416) 16.172 12.029 ( 0.000 2.539 -1.412) 2.905 13.020 ( 0.000 4.299 -6.233) 7.572 ======================= Grid point 1343 (425/489) ======================= q-point: ( 0.65 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -1.076 5.545 2.912) 6.355 2.640 ( 8.473 8.054 -0.240) 11.692 3.970 ( -1.757 10.855 2.109) 11.197 4.513 ( 7.398 5.131 0.494) 9.016 6.044 ( -0.517 2.071 -0.915) 2.322 6.389 ( -2.941 6.975 -3.696) 8.424 6.776 ( 22.030 2.881 3.175) 22.443 9.461 ( -12.623 -3.133 12.700) 18.178 9.677 ( -3.657 14.840 0.122) 15.285 10.045 ( 13.839 -0.009 6.058) 15.107 12.051 ( -0.641 3.187 -1.838) 3.735 13.006 ( -4.035 3.665 -4.374) 6.989 ======================= Grid point 1344 (426/489) ======================= q-point: (-0.29 -0.41 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -1.087 5.321 3.336) 6.374 2.907 ( 13.437 6.021 -0.436) 14.731 4.036 ( -2.994 8.685 2.980) 9.658 4.736 ( 12.622 3.730 0.053) 13.161 6.032 ( -0.877 -1.275 -0.086) 1.550 6.364 ( -5.967 6.296 -5.258) 10.144 7.335 ( 35.164 3.197 3.055) 35.441 9.263 ( -9.311 -5.872 12.838) 16.911 9.734 ( -7.111 14.430 1.226) 16.133 10.319 ( 14.294 2.868 2.855) 14.856 12.039 ( -2.468 0.528 -1.792) 3.096 12.922 ( -7.674 2.498 -2.859) 8.562 ======================= Grid point 1360 (427/489) ======================= q-point: (-0.35 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -0.000 5.593 4.053) 6.907 2.634 ( 0.000 6.246 -0.584) 6.273 4.103 ( -0.000 9.419 4.144) 10.290 4.487 ( 0.000 3.371 -0.626) 3.429 6.050 ( 0.000 -0.920 -0.347) 0.983 6.476 ( 0.000 7.528 -6.152) 9.722 6.623 ( -0.000 3.193 5.571) 6.421 9.599 ( -0.000 -11.394 20.217) 23.206 9.820 ( 0.000 9.082 -2.051) 9.310 9.936 ( -0.000 7.628 2.530) 8.036 12.092 ( 0.000 4.478 -2.834) 5.299 13.063 ( 0.000 3.192 -3.130) 4.470 ======================= Grid point 1361 (428/489) ======================= q-point: (-0.29 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -1.341 4.979 4.667) 6.955 2.759 ( 8.295 4.063 -0.750) 9.267 4.184 ( -2.416 7.753 5.263) 9.678 4.579 ( 7.703 1.726 -1.015) 7.959 6.028 ( -0.629 -1.831 -0.411) 1.979 6.486 ( -3.478 5.085 -7.063) 9.372 6.875 ( 21.543 3.314 6.068) 22.626 9.408 ( -10.870 -10.939 16.142) 22.325 9.970 ( -1.608 13.193 2.176) 13.468 10.086 ( 12.634 0.534 2.065) 12.813 12.099 ( -2.657 2.601 -3.109) 4.847 13.045 ( -4.306 2.538 -2.082) 5.414 ======================= Grid point 1378 (429/489) ======================= q-point: (-0.29 -0.29 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -0.000 3.830 5.293) 6.533 2.712 ( 0.000 1.934 -0.927) 2.144 4.301 ( -0.000 6.141 7.142) 9.419 4.513 ( 0.000 0.201 -1.887) 1.898 6.014 ( 0.000 -1.704 -0.949) 1.951 6.528 ( 0.000 2.331 -8.294) 8.616 6.736 ( -0.000 2.934 7.906) 8.432 9.468 ( -0.000 -14.949 20.420) 25.307 9.923 ( 0.000 2.614 -2.696) 3.755 10.148 ( -0.000 10.772 3.747) 11.405 12.135 ( 0.000 1.196 -3.572) 3.767 13.102 ( 0.000 2.299 -1.368) 2.675 ======================= Grid point 1541 (430/489) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -0.000 0.000 14.839) 14.839 1.017 ( -0.000 0.000 14.839) 14.839 1.826 ( -0.000 0.000 25.837) 25.837 3.747 ( 0.000 -0.000 -6.653) 6.653 3.747 ( 0.000 -0.000 -6.653) 6.653 6.750 ( -0.000 0.000 1.743) 1.743 6.750 ( -0.000 0.000 1.743) 1.743 7.394 ( 0.000 -0.000 -9.080) 9.080 7.894 ( 0.000 -0.000 -0.219) 0.219 7.894 ( 0.000 -0.000 -0.219) 0.219 12.809 ( -0.000 0.000 5.929) 5.929 13.076 ( -0.000 0.000 1.827) 1.827 ======================= Grid point 1542 (431/489) ======================= q-point: ( 0.35 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 6.987 4.034 11.701) 14.213 1.258 ( 13.780 7.956 14.768) 21.709 1.910 ( 1.698 0.980 17.888) 17.995 3.803 ( 9.353 5.400 -3.830) 11.459 3.814 ( 4.812 2.778 -6.869) 8.835 6.668 ( -4.271 -2.466 1.717) 5.222 6.862 ( -3.613 -2.086 1.011) 4.293 7.231 ( 12.341 7.125 -2.231) 14.424 7.992 ( 7.141 4.123 0.134) 8.247 8.543 ( 37.979 21.927 -11.465) 45.328 12.767 ( -5.272 -3.044 5.743) 8.369 13.004 ( -6.630 -3.828 0.585) 7.678 ======================= Grid point 1543 (432/489) ======================= q-point: ( 0.41 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 10.266 5.927 7.786) 14.183 1.561 ( 5.140 2.968 18.308) 19.246 2.162 ( 18.134 10.470 2.103) 21.045 3.917 ( 5.937 3.428 -6.428) 9.397 4.126 ( 18.067 10.431 0.267) 20.863 6.580 ( -3.298 -1.904 0.665) 3.866 6.714 ( -6.193 -3.576 1.038) 7.226 7.761 ( 27.464 15.857 -4.946) 32.097 8.213 ( 11.358 6.558 1.081) 13.160 9.357 ( 34.177 19.732 -9.476) 40.586 12.613 ( -9.475 -5.471 5.470) 12.232 12.806 ( -9.009 -5.202 -1.526) 10.515 ======================= Grid point 1544 (433/489) ======================= q-point: ( 0.47 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 11.678 6.742 4.573) 14.238 1.696 ( 3.262 1.883 12.400) 12.960 2.670 ( 23.379 13.498 -2.806) 27.141 4.040 ( 6.334 3.657 -5.316) 9.042 4.604 ( 21.613 12.478 2.759) 25.108 6.528 ( -1.074 -0.620 -0.897) 1.531 6.589 ( -5.099 -2.944 1.075) 5.985 8.358 ( 24.679 14.248 -6.299) 29.184 8.516 ( 14.004 8.085 1.979) 16.291 10.036 ( 25.682 14.828 -6.035) 30.263 12.372 ( -12.416 -7.169 4.935) 15.163 12.632 ( -4.442 -2.565 -1.999) 5.505 ======================= Grid point 1545 (434/489) ======================= q-point: ( 0.53 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 5.030 2.904 4.984) 7.654 1.973 ( 11.663 6.734 2.432) 13.685 3.180 ( 20.957 12.100 -4.059) 24.537 4.170 ( 6.096 3.520 -3.697) 7.952 5.120 ( 21.180 12.228 3.785) 24.747 6.478 ( -4.825 -2.786 1.328) 5.728 6.525 ( 1.326 0.766 -2.677) 3.084 8.856 ( 19.719 11.385 -4.131) 23.141 8.867 ( 15.153 8.749 2.559) 17.684 10.466 ( 13.062 7.542 -11.330) 18.865 12.107 ( -10.955 -6.325 5.574) 13.823 12.607 ( 2.566 1.482 0.643) 3.032 ======================= Grid point 1546 (435/489) ======================= q-point: ( 0.59 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 5.921 3.418 -0.642) 6.867 2.239 ( 10.472 6.046 1.289) 12.161 3.606 ( 16.836 9.720 -4.759) 20.015 4.294 ( 5.320 3.072 -1.869) 6.421 5.594 ( 17.829 10.294 4.005) 20.973 6.375 ( -4.371 -2.523 1.842) 5.372 6.565 ( 3.093 1.786 -4.457) 5.711 9.227 ( 14.565 8.409 2.799) 17.049 9.255 ( 15.451 8.921 -0.729) 17.856 10.548 ( -0.785 -0.453 -20.929) 20.948 11.944 ( -4.422 -2.553 7.254) 8.871 12.734 ( 6.758 3.902 3.463) 8.537 ======================= Grid point 1547 (436/489) ======================= q-point: ( 0.65 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 5.961 3.442 -3.875) 7.900 2.463 ( 8.296 4.790 0.876) 9.619 3.930 ( 12.649 7.303 -5.475) 15.598 4.401 ( 4.056 2.342 -0.156) 4.686 5.948 ( 10.356 5.979 2.661) 12.251 6.309 ( -1.059 -0.611 4.006) 4.188 6.629 ( 3.810 2.200 -6.035) 7.469 9.550 ( 12.057 6.961 2.805) 14.202 9.576 ( 12.192 7.039 0.697) 14.096 10.324 ( -10.127 -5.847 -24.608) 27.245 11.951 ( 2.334 1.347 6.117) 6.684 12.905 ( 6.162 3.558 3.834) 8.083 ======================= Grid point 1548 (437/489) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 5.241 3.026 -5.077) 7.899 2.626 ( 5.307 3.064 0.851) 6.187 4.159 ( 8.899 5.138 -6.314) 12.060 4.478 ( 2.318 1.338 1.161) 2.917 6.047 ( -0.689 -0.398 0.220) 0.825 6.401 ( 5.555 3.207 7.658) 9.989 6.692 ( 3.504 2.023 -7.232) 8.287 9.774 ( -0.085 -0.049 -10.422) 10.423 9.794 ( 7.777 4.490 2.728) 9.386 10.015 ( -3.140 -1.813 -13.669) 14.141 12.054 ( 4.058 2.343 4.259) 6.333 13.032 ( 3.701 2.137 2.614) 5.010 ======================= Grid point 1559 (438/489) ======================= q-point: ( 0.35 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -0.000 5.830 12.348) 13.655 1.340 ( -0.000 16.682 13.015) 21.158 1.989 ( -0.000 2.127 15.900) 16.041 3.672 ( 0.000 0.327 -4.661) 4.672 3.894 ( 0.000 15.086 -5.505) 16.059 6.784 ( 0.000 -0.921 -0.457) 1.028 6.890 ( -0.000 13.203 1.979) 13.351 7.021 ( -0.000 -13.524 -0.142) 13.525 7.961 ( -0.000 7.755 0.711) 7.788 8.546 ( 0.000 42.470 -10.054) 43.644 12.785 ( -0.000 -6.495 5.707) 8.647 13.036 ( 0.000 -3.565 -0.664) 3.626 ======================= Grid point 1560 (439/489) ======================= q-point: ( 0.41 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 7.577 8.332 8.985) 14.406 1.590 ( 4.025 8.847 17.059) 19.634 2.103 ( 4.410 12.452 3.136) 13.577 3.761 ( 8.896 1.724 -3.763) 9.811 4.093 ( 5.336 19.294 -2.738) 20.205 6.673 ( -4.545 -1.576 -0.066) 4.811 6.909 ( -11.434 7.112 2.005) 13.614 7.226 ( 25.517 0.212 -2.734) 25.664 8.205 ( 11.187 15.842 1.322) 19.439 9.086 ( 19.520 31.807 -8.413) 38.255 12.685 ( -4.506 -8.840 5.253) 11.227 12.919 ( -7.944 -3.334 -2.593) 8.997 ======================= Grid point 1561 (440/489) ======================= q-point: ( 0.47 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 8.748 11.200 5.323) 15.176 1.722 ( 0.876 0.920 14.736) 14.790 2.465 ( 16.326 19.025 -3.482) 25.311 3.934 ( 8.516 4.101 -4.489) 10.463 4.456 ( 13.507 19.311 1.332) 23.604 6.596 ( -2.924 -2.159 0.288) 3.646 6.792 ( -14.401 14.659 1.088) 20.578 7.712 ( 35.032 -7.625 -4.973) 36.195 8.590 ( 8.976 22.111 0.806) 23.877 9.731 ( 24.884 19.877 -4.575) 32.175 12.501 ( -8.130 -9.057 5.381) 13.307 12.720 ( -8.975 -1.513 -3.778) 9.855 ======================= Grid point 1562 (441/489) ======================= q-point: ( 0.53 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 2.774 1.121 7.333) 7.919 1.917 ( 8.258 13.208 2.785) 15.824 2.947 ( 19.007 15.566 -3.789) 24.858 4.104 ( 6.446 6.729 -4.139) 10.196 4.927 ( 17.791 16.453 3.318) 24.459 6.514 ( -3.274 -3.820 0.806) 5.095 6.726 ( -12.309 18.565 -0.756) 22.288 8.240 ( 35.702 -7.559 -4.117) 36.725 8.947 ( 7.301 19.643 1.211) 20.991 10.248 ( 17.519 10.293 -7.448) 21.641 12.267 ( -11.072 -6.267 4.884) 13.628 12.606 ( -1.697 0.640 -0.962) 2.053 ======================= Grid point 1563 (442/489) ======================= q-point: ( 0.59 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 4.695 1.827 1.347) 5.215 2.195 ( 7.083 13.646 1.296) 15.430 3.389 ( 17.396 11.017 -3.765) 20.933 4.264 ( 4.469 8.445 -2.859) 9.973 5.404 ( 17.868 12.661 3.954) 22.253 6.416 ( -3.560 -4.071 1.091) 5.517 6.725 ( -9.564 19.885 -2.555) 22.213 8.764 ( 31.821 -3.818 -2.323) 32.133 9.248 ( 7.310 13.298 2.613) 15.398 10.462 ( 4.308 2.602 -16.017) 16.789 12.062 ( -8.603 -2.132 5.092) 10.222 12.665 ( 5.499 2.074 3.385) 6.782 ======================= Grid point 1564 (443/489) ======================= q-point: ( 0.65 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 5.745 2.114 -2.466) 6.600 2.442 ( 5.171 12.899 0.720) 13.915 3.744 ( 14.371 7.006 -3.980) 16.476 4.406 ( 2.316 9.138 -1.326) 9.520 5.812 ( 14.229 8.226 3.739) 16.855 6.327 ( -2.159 -3.425 1.877) 4.463 6.766 ( -7.876 20.334 -4.164) 22.200 9.243 ( 25.431 -0.264 -1.062) 25.454 9.486 ( 7.595 5.763 2.481) 9.851 10.371 ( -6.913 -0.052 -20.777) 21.897 11.980 ( -2.239 1.124 4.865) 5.472 12.821 ( 7.594 1.212 4.829) 9.081 ======================= Grid point 1565 (444/489) ======================= q-point: ( 0.71 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 5.946 2.007 -4.185) 7.543 2.635 ( 2.585 11.309 0.657) 11.620 4.006 ( 11.149 3.977 -4.491) 12.660 4.515 ( 0.010 8.754 0.036) 8.754 6.034 ( 3.174 1.288 0.985) 3.564 6.340 ( 5.543 0.020 5.484) 7.797 6.822 ( -7.406 20.422 -5.433) 22.393 9.556 ( 9.059 -8.039 -5.015) 13.109 9.682 ( 13.943 4.251 -0.649) 14.591 10.156 ( -10.736 6.325 -14.607) 19.199 12.021 ( 2.800 1.390 3.752) 4.884 12.962 ( 6.172 -0.841 3.726) 7.258 ======================= Grid point 1577 (445/489) ======================= q-point: ( 0.41 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -0.000 10.378 8.440) 13.377 1.708 ( -0.000 5.973 17.211) 18.218 2.226 ( 0.000 18.735 -2.440) 18.893 3.702 ( 0.000 4.686 -1.210) 4.840 4.250 ( 0.000 22.452 -3.082) 22.663 6.717 ( 0.000 -3.880 -3.053) 4.936 6.744 ( -0.000 -9.498 0.322) 9.503 7.428 ( -0.000 30.669 3.883) 30.914 8.200 ( -0.000 14.425 1.525) 14.505 9.228 ( 0.000 29.547 -4.279) 29.855 12.635 ( -0.000 -11.590 4.329) 12.372 12.950 ( 0.000 -2.343 -5.503) 5.981 ======================= Grid point 1578 (446/489) ======================= q-point: ( 0.47 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 7.393 11.905 5.938) 15.220 1.786 ( -0.968 0.561 13.840) 13.885 2.479 ( 5.743 24.140 -5.381) 25.390 3.827 ( 7.196 6.213 -0.641) 9.528 4.520 ( 5.004 23.756 -1.154) 24.304 6.602 ( -2.020 -4.510 0.240) 4.948 6.908 ( 19.923 -5.271 -3.378) 20.883 7.523 ( -17.460 26.340 2.089) 31.670 8.579 ( 16.203 19.029 1.435) 25.034 9.595 ( 12.823 20.647 0.905) 24.321 12.501 ( -2.747 -12.128 4.043) 13.076 12.844 ( -6.992 -0.390 -7.362) 10.161 ======================= Grid point 1579 (447/489) ======================= q-point: ( 0.53 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 0.269 0.488 7.528) 7.549 1.926 ( 8.860 14.137 3.380) 17.023 2.845 ( 11.146 20.724 -4.323) 23.925 4.038 ( 8.395 8.183 -1.511) 11.820 4.884 ( 9.891 21.567 1.138) 23.755 6.522 ( -2.336 -4.757 0.906) 5.377 7.182 ( -0.610 16.773 -1.572) 16.858 7.601 ( 14.714 5.204 -2.045) 15.741 8.994 ( 9.337 16.701 1.612) 19.202 10.041 ( 16.676 11.761 0.470) 20.411 12.342 ( -4.243 -9.930 4.970) 11.887 12.690 ( -7.289 2.254 -6.779) 10.206 ======================= Grid point 1580 (448/489) ======================= q-point: ( 0.59 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 2.354 1.173 2.405) 3.564 2.236 ( 7.548 16.309 1.453) 18.030 3.228 ( 13.301 14.508 -3.150) 19.933 4.261 ( 6.672 10.808 -1.931) 12.847 5.287 ( 12.923 16.698 2.529) 21.265 6.429 ( -2.936 -4.960 0.913) 5.835 7.227 ( -16.745 29.707 -0.763) 34.109 8.089 ( 36.631 -4.003 -3.487) 37.014 9.267 ( 5.677 10.572 3.126) 12.400 10.341 ( 8.635 4.508 -6.926) 11.952 12.191 ( -6.328 -4.657 4.297) 8.955 12.634 ( 0.158 2.652 -1.441) 3.022 ======================= Grid point 1581 (449/489) ======================= q-point: ( 0.65 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 4.192 1.810 -1.058) 4.687 2.518 ( 4.848 16.965 0.556) 17.653 3.566 ( 12.941 8.816 -2.511) 15.858 4.467 ( 3.703 12.816 -1.604) 13.436 5.672 ( 13.363 10.965 3.179) 17.576 6.332 ( -2.672 -4.856 0.866) 5.610 7.241 ( -16.123 31.327 -1.708) 35.274 8.686 ( 35.034 -1.874 -2.994) 35.211 9.437 ( 4.434 3.623 2.733) 6.344 10.394 ( -1.106 2.101 -12.428) 12.653 12.075 ( -5.303 0.144 2.692) 5.949 12.717 ( 6.041 0.326 3.416) 6.947 ======================= Grid point 1582 (450/489) ======================= q-point: ( 0.71 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 5.192 2.049 -2.768) 6.230 2.746 ( 1.789 16.269 0.354) 16.371 3.837 ( 11.268 4.631 -2.472) 12.431 4.630 ( 0.246 13.426 -0.877) 13.457 5.966 ( 8.391 4.605 2.297) 9.843 6.269 ( 1.486 -3.658 2.324) 4.581 7.281 ( -14.988 31.876 -2.605) 35.320 9.195 ( 24.152 -2.871 -4.956) 24.821 9.521 ( 5.335 -1.464 -0.877) 5.602 10.324 ( -5.324 6.670 -9.669) 12.897 12.031 ( -1.544 1.035 1.897) 2.656 12.838 ( 6.974 -2.858 4.099) 8.579 ======================= Grid point 1595 (451/489) ======================= q-point: ( 0.47 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -0.000 12.727 4.852) 13.621 1.841 ( -0.000 -0.398 10.133) 10.141 2.671 ( 0.000 25.977 -5.712) 26.598 3.837 ( -0.000 8.041 2.020) 8.290 4.725 ( 0.000 25.685 -1.883) 25.754 6.589 ( -0.000 -6.810 1.167) 6.909 6.610 ( 0.000 -3.737 -3.931) 5.424 8.120 ( -0.000 33.612 2.825) 33.730 8.538 ( -0.000 17.626 1.163) 17.665 9.685 ( -0.000 15.087 7.433) 16.818 12.404 ( -0.000 -12.997 2.587) 13.252 12.877 ( 0.000 0.807 -10.005) 10.037 ======================= Grid point 1596 (452/489) ======================= q-point: ( 0.53 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -0.985 1.235 5.572) 5.792 1.918 ( 7.641 12.409 3.192) 14.918 2.938 ( 3.276 23.809 -4.254) 24.406 3.990 ( 6.227 9.013 2.064) 11.148 5.008 ( 3.399 24.801 -1.266) 25.064 6.508 ( -1.415 -5.173 1.186) 5.493 6.781 ( 22.797 -3.854 -3.738) 23.420 8.128 ( -24.544 30.225 1.896) 38.981 8.961 ( 14.539 17.605 0.687) 22.843 9.930 ( 9.682 8.787 10.145) 16.549 12.280 ( -0.519 -11.389 2.646) 11.704 12.806 ( -5.298 3.066 -10.404) 12.071 ======================= Grid point 1597 (453/489) ======================= q-point: ( 0.59 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -0.155 1.494 2.308) 2.754 2.236 ( 10.820 14.461 1.532) 18.126 3.220 ( 5.617 18.676 -2.650) 19.682 4.229 ( 8.709 10.465 0.922) 13.646 5.319 ( 5.837 20.851 -0.348) 21.656 6.427 ( -2.332 -5.189 1.101) 5.794 7.257 ( 33.822 -0.811 -3.466) 34.008 8.033 ( -20.675 29.984 1.480) 36.451 9.281 ( 5.957 10.342 2.126) 12.123 10.211 ( 10.262 3.797 4.469) 11.819 12.189 ( -0.001 -7.881 3.609) 8.668 12.712 ( -5.457 4.881 -7.644) 10.585 ======================= Grid point 1598 (454/489) ======================= q-point: ( 0.65 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 1.798 2.506 0.139) 3.087 2.571 ( 9.156 15.696 0.514) 18.179 3.484 ( 7.251 12.489 -1.402) 14.509 4.495 ( 7.827 12.462 -0.093) 14.716 5.620 ( 7.670 14.765 0.613) 16.650 6.332 ( -2.884 -5.153 0.599) 5.936 7.779 ( 8.080 17.854 -1.569) 19.660 8.114 ( 11.476 14.767 -0.207) 18.703 9.423 ( 2.148 3.171 2.470) 4.558 10.363 ( 3.808 1.784 -2.358) 4.821 12.136 ( -1.298 -3.181 2.304) 4.137 12.681 ( -0.610 2.998 -1.929) 3.617 ======================= Grid point 1599 (455/489) ======================= q-point: ( 0.71 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 3.289 3.038 -0.970) 4.582 2.862 ( 5.232 16.403 0.086) 17.218 3.712 ( 8.081 6.901 -0.741) 10.652 4.737 ( 4.274 14.182 -0.606) 14.824 5.880 ( 8.169 7.950 1.331) 11.476 6.235 ( -1.964 -5.128 0.472) 5.511 7.900 ( -15.824 32.465 0.383) 36.118 8.659 ( 32.498 2.189 -3.107) 32.720 9.449 ( 0.505 -2.390 -0.432) 2.481 10.405 ( -0.105 4.745 -3.336) 5.801 12.089 ( -2.819 -0.071 0.133) 2.823 12.720 ( 3.697 -2.046 2.118) 4.727 ======================= Grid point 1613 (456/489) ======================= q-point: ( 0.53 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -0.000 0.885 3.017) 3.145 1.980 ( -0.000 13.268 2.227) 13.454 3.140 ( 0.000 23.004 -2.985) 23.197 4.036 ( -0.000 9.260 3.551) 9.917 5.229 ( 0.000 25.079 -2.343) 25.188 6.476 ( -0.000 -5.531 1.554) 5.746 6.528 ( 0.000 -1.695 -2.704) 3.191 8.766 ( 0.000 28.339 0.522) 28.344 8.910 ( 0.000 18.423 0.113) 18.423 9.955 ( -0.000 3.188 17.088) 17.383 12.177 ( -0.000 -10.011 0.832) 10.046 12.849 ( 0.000 4.211 -11.460) 12.209 ======================= Grid point 1614 (457/489) ======================= q-point: ( 0.59 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -1.165 2.327 1.566) 3.037 2.198 ( 8.494 12.957 1.148) 15.536 3.359 ( 0.917 19.789 -1.433) 19.862 4.199 ( 6.230 9.347 2.915) 11.605 5.477 ( 1.418 22.402 -2.551) 22.591 6.414 ( -1.454 -4.833 1.234) 5.196 6.715 ( 22.417 -0.652 -1.588) 22.483 8.725 ( -21.192 27.378 0.980) 34.636 9.280 ( 8.310 13.402 0.096) 15.770 10.104 ( 7.728 -0.279 15.755) 17.551 12.102 ( 1.232 -7.020 0.682) 7.160 12.822 ( -3.919 5.651 -9.887) 12.043 ======================= Grid point 1615 (458/489) ======================= q-point: ( 0.65 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -0.351 3.648 1.101) 3.827 2.519 ( 12.340 12.705 0.357) 17.714 3.553 ( 1.305 15.293 -0.168) 15.349 4.449 ( 9.908 9.847 1.656) 14.067 5.701 ( 2.040 17.405 -2.229) 17.665 6.334 ( -2.716 -4.439 0.432) 5.222 7.235 ( 35.743 0.775 -0.707) 35.758 8.658 ( -19.561 29.207 2.211) 35.222 9.444 ( 0.886 4.657 1.721) 5.043 10.282 ( 7.267 -0.544 8.075) 10.877 12.083 ( 2.387 -4.174 0.892) 4.891 12.770 ( -4.961 5.546 -6.218) 9.697 ======================= Grid point 1631 (459/489) ======================= q-point: ( 0.59 0.59 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -0.000 3.530 1.327) 3.771 2.248 ( -0.000 12.157 0.557) 12.170 3.547 ( 0.000 18.268 0.218) 18.269 4.240 ( -0.000 8.218 2.890) 8.711 5.676 ( 0.000 20.561 -3.423) 20.844 6.387 ( -0.000 -3.950 0.827) 4.036 6.512 ( -0.000 1.043 0.365) 1.105 9.254 ( 0.000 20.250 -1.018) 20.275 9.270 ( 0.000 17.222 -1.072) 17.255 10.069 ( -0.000 -5.566 22.431) 23.111 12.032 ( 0.000 -3.876 -1.408) 4.123 12.882 ( 0.000 6.226 -9.255) 11.155 ======================= Grid point 1632 (460/489) ======================= q-point: (-0.35 -0.41 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -1.054 4.832 2.029) 5.346 2.446 ( 8.602 11.016 -0.017) 13.977 3.714 ( -0.887 15.353 1.575) 15.459 4.389 ( 6.859 7.437 1.816) 10.279 5.850 ( -0.086 15.941 -3.365) 16.293 6.340 ( -1.869 -2.420 -0.432) 3.088 6.732 ( 21.917 2.178 1.975) 22.113 9.232 ( -14.789 21.940 0.844) 26.472 9.498 ( 0.779 8.115 0.521) 8.169 10.162 ( 7.946 -5.383 17.684) 20.120 12.016 ( 1.434 -1.094 -1.946) 2.653 12.885 ( -3.479 6.182 -6.861) 9.869 ======================= Grid point 1649 (461/489) ======================= q-point: (-0.35 -0.35 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -0.000 5.788 3.155) 6.592 2.470 ( 0.000 9.657 -0.392) 9.665 3.882 ( -0.000 13.857 3.349) 14.256 4.395 ( -0.000 5.662 0.811) 5.719 5.976 ( 0.000 10.288 -2.545) 10.599 6.346 ( 0.000 1.243 -2.687) 2.961 6.574 ( -0.000 3.280 4.215) 5.340 9.577 ( 0.000 14.032 -2.068) 14.183 9.581 ( 0.000 13.111 -0.090) 13.111 10.063 ( -0.000 -10.861 23.523) 25.909 12.002 ( 0.000 2.393 -3.546) 4.278 12.956 ( 0.000 5.958 -5.541) 8.136 ======================= Grid point 1849 (462/489) ======================= q-point: ( 0.35 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -0.000 0.000 11.593) 11.593 1.160 ( -0.000 0.000 11.593) 11.593 2.072 ( -0.000 0.000 19.871) 19.871 3.679 ( 0.000 -0.000 -5.830) 5.830 3.679 ( 0.000 -0.000 -5.830) 5.830 6.768 ( -0.000 0.000 1.421) 1.421 6.768 ( -0.000 0.000 1.421) 1.421 7.301 ( 0.000 -0.000 -8.043) 8.043 7.892 ( 0.000 -0.000 -0.182) 0.182 7.892 ( 0.000 -0.000 -0.182) 0.182 12.875 ( -0.000 0.000 6.330) 6.330 13.088 ( -0.000 0.000 0.178) 0.178 ======================= Grid point 1850 (463/489) ======================= q-point: ( 0.41 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 5.765 3.328 8.656) 10.919 1.400 ( 15.355 8.865 11.486) 21.126 2.075 ( -3.600 -2.079 12.787) 13.446 3.742 ( 4.691 2.708 -6.551) 8.500 3.771 ( 11.158 6.442 -2.032) 13.044 6.689 ( -4.464 -2.577 2.155) 5.587 6.870 ( -3.546 -2.047 0.647) 4.145 7.194 ( 12.272 7.085 -4.491) 14.865 7.992 ( 7.483 4.320 -0.114) 8.641 8.449 ( 35.514 20.504 -6.365) 41.499 12.830 ( -5.498 -3.174 6.034) 8.759 13.004 ( -7.045 -4.067 -0.695) 8.165 ======================= Grid point 1851 (464/489) ======================= q-point: ( 0.47 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 9.075 5.239 5.268) 11.729 1.753 ( 5.054 2.918 17.297) 18.255 2.161 ( 14.356 8.289 -2.420) 16.753 3.847 ( 6.230 3.597 -6.574) 9.745 4.137 ( 19.247 11.113 1.645) 22.286 6.594 ( -3.965 -2.289 1.777) 4.911 6.723 ( -6.158 -3.555 0.622) 7.137 7.698 ( 26.687 15.408 -6.764) 31.549 8.222 ( 11.849 6.841 0.609) 13.696 9.272 ( 35.078 20.252 -6.429) 41.011 12.675 ( -9.674 -5.585 5.845) 12.607 12.791 ( -9.437 -5.448 -1.416) 10.988 ======================= Grid point 1852 (465/489) ======================= q-point: ( 0.53 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 10.863 6.272 2.613) 12.812 1.820 ( -0.043 -0.025 10.413) 10.413 2.636 ( 23.190 13.389 -3.279) 26.977 3.980 ( 7.003 4.043 -5.803) 9.953 4.636 ( 22.111 12.766 3.254) 25.738 6.527 ( -2.025 -1.169 0.703) 2.442 6.597 ( -4.986 -2.879 0.512) 5.780 8.288 ( 25.307 14.611 -6.666) 29.973 8.534 ( 14.422 8.327 1.352) 16.708 9.959 ( 24.724 14.275 -8.114) 29.680 12.420 ( -12.730 -7.350 3.481) 15.106 12.632 ( -3.666 -2.116 2.244) 4.791 ======================= Grid point 1853 (466/489) ======================= q-point: ( 0.59 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 2.342 1.352 3.720) 4.599 1.992 ( 11.258 6.500 1.042) 13.041 3.142 ( 20.638 11.916 -2.803) 23.996 4.126 ( 7.004 4.044 -4.368) 9.192 5.161 ( 21.369 12.338 3.770) 24.962 6.488 ( -4.617 -2.666 0.428) 5.348 6.506 ( 0.230 0.133 -0.814) 0.856 8.814 ( 21.273 12.282 -3.598) 24.826 8.891 ( 15.434 8.911 1.838) 17.916 10.319 ( 9.524 5.499 -15.609) 19.095 12.157 ( -10.068 -5.813 3.390) 12.109 12.644 ( 3.245 1.873 6.131) 7.185 ======================= Grid point 1854 (467/489) ======================= q-point: ( 0.65 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 4.101 2.368 -0.775) 4.798 2.249 ( 10.376 5.991 0.420) 11.989 3.564 ( 16.343 9.436 -2.876) 19.089 4.270 ( 6.284 3.628 -2.581) 7.701 5.637 ( 17.758 10.253 3.894) 20.872 6.389 ( -3.832 -2.212 0.598) 4.465 6.528 ( 1.994 1.151 -2.544) 3.431 9.250 ( 16.641 9.608 -0.139) 19.216 9.253 ( 14.725 8.502 2.042) 17.126 10.312 ( -3.263 -1.884 -22.739) 23.049 12.004 ( -3.852 -2.224 4.034) 6.005 12.792 ( 6.423 3.708 7.251) 10.372 ======================= Grid point 1867 (468/489) ======================= q-point: ( 0.41 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -0.000 5.179 8.897) 10.295 1.458 ( -0.000 18.606 9.034) 20.684 2.131 ( -0.000 -4.059 10.455) 11.215 3.633 ( 0.000 1.434 -2.598) 2.967 3.839 ( 0.000 16.014 -4.678) 16.684 6.775 ( 0.000 -2.202 -1.220) 2.517 6.906 ( -0.000 8.252 0.759) 8.287 7.020 ( -0.000 -5.648 0.586) 5.678 7.969 ( -0.000 8.321 0.769) 8.357 8.460 ( 0.000 40.413 -6.222) 40.889 12.847 ( -0.000 -7.072 5.720) 9.096 13.023 ( 0.000 -4.996 -1.917) 5.351 ======================= Grid point 1868 (469/489) ======================= q-point: ( 0.47 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 6.165 7.884 5.880) 11.608 1.757 ( 6.709 12.674 13.804) 19.904 2.113 ( 0.690 4.750 -1.127) 4.931 3.727 ( 7.277 3.012 -2.537) 8.274 4.069 ( 7.466 19.787 -1.655) 21.213 6.671 ( -3.747 -2.343 -0.189) 4.423 6.930 ( -9.721 5.345 1.914) 11.257 7.195 ( 20.901 3.108 -2.883) 21.327 8.217 ( 10.807 16.430 0.845) 19.684 9.016 ( 19.850 33.526 -4.819) 39.258 12.742 ( -4.221 -9.446 5.304) 11.626 12.889 ( -7.538 -5.278 -3.193) 9.740 ======================= Grid point 1869 (470/489) ======================= q-point: ( 0.53 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 7.633 11.003 2.833) 13.687 1.864 ( -1.528 -1.986 11.153) 11.431 2.421 ( 17.162 18.926 -4.165) 25.886 3.888 ( 7.185 5.607 -3.998) 9.952 4.473 ( 15.189 19.095 1.670) 24.456 6.598 ( -2.773 -2.078 0.190) 3.470 6.810 ( -15.000 14.056 2.184) 20.672 7.656 ( 34.449 -6.639 -5.349) 35.488 8.596 ( 8.664 22.538 0.330) 24.148 9.684 ( 23.233 21.980 -4.173) 32.254 12.555 ( -8.723 -9.101 4.158) 13.275 12.690 ( -6.592 -3.583 -1.451) 7.642 ======================= Grid point 1870 (471/489) ======================= q-point: ( 0.59 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 0.877 -0.649 4.214) 4.353 1.938 ( 7.472 12.902 1.138) 14.952 2.914 ( 19.190 15.365 -2.092) 24.672 4.059 ( 6.221 7.892 -4.064) 10.840 4.961 ( 18.506 16.295 2.967) 24.836 6.519 ( -3.225 -3.513 0.144) 4.771 6.727 ( -13.318 17.898 1.016) 22.332 8.196 ( 36.645 -7.223 -4.044) 37.569 8.959 ( 7.423 20.742 0.838) 22.046 10.154 ( 12.954 10.998 -9.883) 19.657 12.304 ( -11.270 -5.667 1.619) 12.718 12.626 ( 1.367 -1.189 4.699) 5.036 ======================= Grid point 1871 (472/489) ======================= q-point: ( 0.65 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 3.106 0.574 0.227) 3.167 2.203 ( 6.890 13.643 0.128) 15.284 3.360 ( 17.094 10.863 -1.506) 20.310 4.232 ( 4.883 9.282 -3.143) 10.949 5.444 ( 18.193 12.596 3.448) 22.395 6.421 ( -3.412 -3.821 -0.047) 5.123 6.709 ( -10.717 19.401 -0.478) 22.169 8.741 ( 33.127 -4.292 -1.910) 33.458 9.272 ( 7.348 14.297 1.609) 16.155 10.282 ( -0.206 3.726 -17.110) 17.512 12.098 ( -7.759 -2.072 1.719) 8.212 12.726 ( 6.644 0.772 7.717) 10.212 ======================= Grid point 1885 (473/489) ======================= q-point: ( 0.47 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -0.000 9.514 5.333) 10.907 1.878 ( -0.000 6.990 14.415) 16.020 2.174 ( 0.000 14.301 -7.290) 16.052 3.702 ( -0.000 5.739 1.293) 5.883 4.218 ( 0.000 23.242 -2.912) 23.424 6.683 ( 0.000 -4.591 -3.267) 5.635 6.743 ( 0.000 -8.539 -0.494) 8.553 7.479 ( -0.000 30.199 5.540) 30.703 8.214 ( -0.000 14.544 1.082) 14.584 9.197 ( 0.000 33.763 -1.557) 33.799 12.680 ( -0.000 -12.472 4.023) 13.105 12.890 ( 0.000 -4.788 -5.751) 7.483 ======================= Grid point 1886 (474/489) ======================= q-point: ( 0.53 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 6.730 11.465 3.215) 13.678 1.908 ( -1.988 -3.006 8.145) 8.907 2.420 ( 6.647 25.012 -4.918) 26.344 3.830 ( 5.563 7.313 1.145) 9.259 4.507 ( 6.326 23.939 -1.384) 24.799 6.602 ( -1.480 -3.879 -0.131) 4.154 6.872 ( 19.935 -6.108 -3.353) 21.118 7.554 ( -19.498 26.451 3.669) 33.065 8.591 ( 15.946 18.945 0.841) 24.777 9.612 ( 11.580 25.223 2.293) 27.849 12.543 ( -2.004 -12.840 3.659) 13.501 12.768 ( -6.043 -2.691 -6.826) 9.505 ======================= Grid point 1887 (475/489) ======================= q-point: ( 0.59 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -0.556 -0.929 2.863) 3.061 1.951 ( 7.986 13.517 1.243) 15.749 2.810 ( 11.736 20.765 -1.815) 23.921 4.026 ( 6.748 9.453 -0.537) 11.627 4.892 ( 11.314 21.125 0.405) 23.968 6.528 ( -2.394 -4.381 0.293) 5.001 7.171 ( 3.985 13.232 -0.488) 13.828 7.585 ( 9.163 8.681 -0.772) 12.646 9.007 ( 9.792 17.186 0.594) 19.789 10.043 ( 11.847 14.520 0.117) 18.740 12.386 ( -4.480 -9.775 2.592) 11.060 12.634 ( -3.661 -0.038 -3.168) 4.842 ======================= Grid point 1888 (476/489) ======================= q-point: ( 0.65 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 1.354 0.245 0.210) 1.392 2.244 ( 7.195 16.316 -0.010) 17.832 3.208 ( 13.405 14.411 -0.388) 19.685 4.242 ( 5.814 11.877 -1.545) 13.314 5.309 ( 14.021 16.151 1.523) 21.442 6.434 ( -3.064 -4.719 -0.092) 5.627 7.230 ( -17.202 29.119 1.444) 33.851 8.055 ( 36.450 -3.437 -2.666) 36.709 9.288 ( 6.016 11.122 0.743) 12.667 10.269 ( 2.996 6.795 -6.283) 9.728 12.212 ( -7.051 -3.962 -0.296) 8.093 12.647 ( 4.284 0.127 3.981) 5.850 ======================= Grid point 1903 (477/489) ======================= q-point: ( 0.53 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -0.000 12.107 2.420) 12.347 1.916 ( -0.000 -2.893 3.269) 4.365 2.621 ( 0.000 26.959 -3.192) 27.148 3.869 ( -0.000 8.476 3.968) 9.359 4.701 ( 0.000 25.913 -2.564) 26.040 6.571 ( 0.000 -3.636 -3.221) 4.858 6.598 ( -0.000 -6.222 0.494) 6.242 8.161 ( -0.000 31.905 4.722) 32.253 8.546 ( 0.000 17.416 0.298) 17.419 9.772 ( -0.000 20.478 8.638) 22.226 12.428 ( -0.000 -13.788 1.821) 13.907 12.772 ( 0.000 -1.029 -9.354) 9.410 ======================= Grid point 1904 (478/489) ======================= q-point: ( 0.59 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -1.062 0.210 0.765) 1.325 1.940 ( 7.317 11.995 0.850) 14.076 2.908 ( 3.528 24.239 -1.129) 24.520 4.019 ( 5.006 9.358 3.326) 11.122 4.989 ( 4.179 24.578 -2.222) 25.030 6.517 ( -1.374 -4.702 0.492) 4.923 6.747 ( 22.373 -3.432 -2.540) 22.777 8.156 ( -24.586 29.175 3.236) 38.290 8.964 ( 14.660 17.324 -0.152) 22.695 10.042 ( 6.325 12.666 10.699) 17.746 12.303 ( 0.442 -12.052 1.398) 12.141 12.701 ( -3.982 2.004 -8.877) 9.933 ======================= Grid point 1921 (479/489) ======================= q-point: (-0.41 -0.41 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 0.000 0.871 -0.832) 1.204 1.995 ( -0.000 12.919 0.577) 12.931 3.125 ( 0.000 23.530 0.202) 23.531 4.079 ( -0.000 8.873 4.321) 9.869 5.199 ( 0.000 24.878 -3.241) 25.089 6.487 ( -0.000 -5.311 0.555) 5.339 6.507 ( 0.000 -0.856 -1.053) 1.357 8.781 ( -0.000 26.434 2.337) 26.537 8.906 ( 0.000 18.139 -0.917) 18.162 10.141 ( -0.000 6.954 17.377) 18.717 12.179 ( 0.000 -10.739 -0.790) 10.768 12.732 ( 0.000 4.171 -9.992) 10.827 ======================= Grid point 2158 (480/489) ======================= q-point: ( 0.41 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -0.000 0.000 7.454) 7.454 1.262 ( -0.000 0.000 7.454) 7.454 2.247 ( -0.000 0.000 12.603) 12.603 3.626 ( 0.000 -0.000 -4.032) 4.032 3.626 ( 0.000 -0.000 -4.032) 4.032 6.780 ( -0.000 0.000 0.926) 0.926 6.780 ( -0.000 0.000 0.926) 0.926 7.227 ( 0.000 -0.000 -5.588) 5.588 7.890 ( 0.000 -0.000 -0.121) 0.121 7.890 ( 0.000 -0.000 -0.121) 0.121 12.942 ( -0.000 0.000 6.051) 6.051 13.079 ( 0.000 -0.000 -1.722) 1.722 ======================= Grid point 2159 (481/489) ======================= q-point: ( 0.47 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 4.900 2.829 4.741) 7.382 1.499 ( 16.732 9.660 6.905) 20.518 2.182 ( -7.256 -4.189 7.155) 11.017 3.678 ( 4.187 2.417 -5.157) 7.069 3.760 ( 12.825 7.405 -0.071) 14.810 6.713 ( -4.279 -2.470 2.312) 5.455 6.877 ( -3.374 -1.948 0.853) 3.988 7.140 ( 11.435 6.602 -5.299) 14.227 7.989 ( 7.684 4.437 -0.356) 8.880 8.402 ( 34.019 19.641 -2.557) 39.365 12.894 ( -5.572 -3.217 5.695) 8.592 12.988 ( -7.112 -4.106 -2.318) 8.533 ======================= Grid point 2160 (482/489) ======================= q-point: ( 0.53 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 8.298 4.791 2.032) 9.795 1.927 ( 5.656 3.265 15.072) 16.426 2.111 ( 11.660 6.732 -6.908) 15.133 3.780 ( 6.154 3.553 -5.638) 9.071 4.160 ( 20.025 11.562 2.429) 23.251 6.617 ( -4.305 -2.485 2.613) 5.616 6.729 ( -6.285 -3.629 0.601) 7.282 7.621 ( 26.231 15.144 -7.311) 31.159 8.225 ( 12.246 7.070 0.055) 14.140 9.219 ( 34.210 19.751 -3.607) 39.666 12.727 ( -11.193 -6.462 2.593) 13.182 12.783 ( -7.442 -4.297 1.264) 8.686 ======================= Grid point 2161 (483/489) ======================= q-point: ( 0.59 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 10.440 6.027 0.197) 12.056 1.906 ( -2.451 -1.415 4.936) 5.690 2.610 ( 23.629 13.642 -1.073) 27.306 3.919 ( 7.358 4.248 -5.329) 10.029 4.671 ( 22.385 12.924 3.109) 26.034 6.542 ( -2.738 -1.581 2.120) 3.807 6.600 ( -5.066 -2.925 0.030) 5.849 8.219 ( 26.335 15.205 -6.087) 31.012 8.545 ( 14.793 8.541 0.569) 17.091 9.867 ( 21.828 12.602 -8.925) 26.738 12.439 ( -12.591 -7.270 0.140) 14.540 12.682 ( -2.327 -1.343 6.978) 7.477 ======================= Grid point 2176 (484/489) ======================= q-point: ( 0.47 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -0.000 4.935 4.563) 6.721 1.530 ( -0.000 19.844 4.134) 20.270 2.211 ( -0.000 -8.297 4.472) 9.426 3.619 ( 0.000 2.680 0.062) 2.681 3.796 ( 0.000 16.443 -3.328) 16.776 6.759 ( 0.000 -3.380 -1.816) 3.837 6.903 ( 0.000 0.683 -1.084) 1.282 7.041 ( -0.000 4.731 3.226) 5.727 7.977 ( -0.000 8.719 0.714) 8.748 8.410 ( 0.000 39.087 -3.165) 39.215 12.906 ( -0.000 -7.573 5.087) 9.123 12.994 ( 0.000 -5.882 -3.408) 6.798 ======================= Grid point 2177 (485/489) ======================= q-point: ( 0.53 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 5.069 7.875 2.047) 9.586 1.873 ( 11.501 19.998 6.766) 24.041 2.089 ( -3.821 -5.049 -2.454) 6.790 3.708 ( 4.697 4.676 -0.913) 6.690 4.058 ( 9.791 19.389 -0.527) 21.727 6.669 ( -2.654 -3.172 -0.096) 4.137 6.946 ( -4.538 1.571 0.889) 4.884 7.171 ( 12.558 8.596 -1.313) 15.275 8.223 ( 10.230 16.931 0.289) 19.784 8.982 ( 19.931 34.292 -1.557) 39.694 12.795 ( -3.975 -10.036 4.399) 11.656 12.851 ( -6.622 -6.439 -3.607) 9.916 ======================= Grid point 2178 (486/489) ======================= q-point: ( 0.59 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 6.894 11.104 -0.138) 13.071 1.941 ( -3.149 -4.339 2.374) 5.863 2.393 ( 18.677 19.588 -0.321) 27.067 3.851 ( 5.447 7.159 -2.814) 9.426 4.491 ( 16.581 18.430 1.625) 24.844 6.600 ( -2.616 -2.514 0.212) 3.635 6.838 ( -15.362 13.995 2.958) 20.990 7.600 ( 33.655 -5.273 -4.856) 34.410 8.597 ( 8.511 22.947 -0.227) 24.475 9.643 ( 20.118 22.848 -3.397) 30.632 12.572 ( -10.595 -8.270 -1.248) 13.499 12.705 ( -2.062 -5.820 4.339) 7.547 ======================= Grid point 2194 (487/489) ======================= q-point: ( 0.53 0.53 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -0.000 9.246 1.655) 9.393 2.014 ( -0.000 6.449 10.792) 12.571 2.072 ( 0.000 13.206 -11.499) 17.510 3.729 ( -0.000 6.595 3.749) 7.586 4.188 ( 0.000 23.470 -2.744) 23.630 6.648 ( 0.000 -4.969 -3.118) 5.866 6.736 ( 0.000 -7.731 -0.696) 7.762 7.545 ( -0.000 30.083 6.784) 30.839 8.223 ( 0.000 14.441 0.530) 14.451 9.194 ( 0.000 37.126 1.019) 37.140 12.718 ( -0.000 -13.337 2.900) 13.648 12.828 ( 0.000 -6.522 -5.677) 8.647 ======================= Grid point 2467 (488/489) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -0.000 0.000 2.582) 2.582 1.317 ( -0.000 0.000 2.582) 2.582 2.339 ( -0.000 0.000 4.329) 4.329 3.596 ( 0.000 -0.000 -1.448) 1.448 3.596 ( 0.000 -0.000 -1.448) 1.448 6.787 ( -0.000 0.000 0.321) 0.321 6.787 ( -0.000 0.000 0.321) 0.321 7.186 ( 0.000 -0.000 -2.008) 2.008 7.889 ( 0.000 -0.000 -0.042) 0.042 7.889 ( 0.000 -0.000 -0.042) 0.042 13.002 ( -0.000 0.000 4.908) 4.908 13.051 ( 0.000 -0.000 -3.390) 3.390 ======================= Grid point 2468 (489/489) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.00e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 4.405 2.543 0.180) 5.090 1.544 ( 17.432 10.064 1.426) 20.179 2.227 ( -8.554 -4.939 1.420) 9.979 3.635 ( 3.358 1.939 -2.845) 4.809 3.769 ( 13.921 8.038 1.731) 16.168 6.737 ( -3.747 -2.163 2.192) 4.850 6.889 ( -2.498 -1.442 1.319) 3.171 7.085 ( 9.184 5.303 -4.854) 11.664 7.984 ( 7.713 4.453 -0.566) 8.924 8.391 ( 33.494 19.338 0.424) 38.678 12.950 ( -5.252 -3.032 3.831) 7.173 12.955 ( -7.134 -4.119 -2.953) 8.751 =================== 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 3/58956 10.0 1091.159 1091.159 1561.830 0.000 -0.000 0.000 3/58956 20.0 487.767 487.767 609.435 0.000 -0.000 0.000 3/58956 30.0 264.701 264.701 294.448 0.000 -0.000 0.000 3/58956 40.0 156.604 156.604 156.746 0.000 -0.000 0.000 3/58956 50.0 101.179 101.179 92.370 0.000 -0.000 0.000 3/58956 60.0 69.894 69.894 59.867 0.000 -0.000 0.000 3/58956 70.0 51.055 51.055 42.011 0.000 -0.000 0.000 3/58956 80.0 39.123 39.123 31.391 0.000 -0.000 0.000 3/58956 90.0 31.206 31.206 24.627 0.000 -0.000 0.000 3/58956 100.0 25.722 25.722 20.065 0.000 -0.000 0.000 3/58956 110.0 21.773 21.773 16.839 0.000 -0.000 0.000 3/58956 120.0 18.831 18.831 14.467 0.000 -0.000 0.000 3/58956 130.0 16.573 16.573 12.663 0.000 -0.000 0.000 3/58956 140.0 14.794 14.794 11.254 0.000 -0.000 0.000 3/58956 150.0 13.362 13.362 10.127 0.000 -0.000 0.000 3/58956 160.0 12.187 12.187 9.207 0.000 -0.000 0.000 3/58956 170.0 11.207 11.207 8.443 0.000 -0.000 0.000 3/58956 180.0 10.377 10.377 7.799 0.000 -0.000 0.000 3/58956 190.0 9.666 9.666 7.249 0.000 -0.000 0.000 3/58956 200.0 9.049 9.049 6.774 0.000 -0.000 0.000 3/58956 210.0 8.510 8.510 6.360 0.000 -0.000 0.000 3/58956 220.0 8.034 8.034 5.995 0.000 -0.000 0.000 3/58956 230.0 7.611 7.611 5.672 0.000 -0.000 0.000 3/58956 240.0 7.231 7.231 5.383 0.000 -0.000 0.000 3/58956 250.0 6.890 6.890 5.123 0.000 -0.000 0.000 3/58956 260.0 6.580 6.580 4.888 0.000 -0.000 0.000 3/58956 270.0 6.299 6.299 4.675 0.000 -0.000 0.000 3/58956 280.0 6.041 6.041 4.480 0.000 -0.000 0.000 3/58956 290.0 5.805 5.805 4.302 0.000 -0.000 0.000 3/58956 300.0 5.587 5.587 4.137 0.000 -0.000 0.000 3/58956 310.0 5.385 5.385 3.986 0.000 -0.000 0.000 3/58956 320.0 5.198 5.198 3.845 0.000 -0.000 0.000 3/58956 330.0 5.024 5.024 3.714 0.000 -0.000 0.000 3/58956 340.0 4.861 4.861 3.593 0.000 -0.000 0.000 3/58956 350.0 4.710 4.710 3.479 0.000 -0.000 0.000 3/58956 360.0 4.567 4.567 3.372 0.000 -0.000 0.000 3/58956 370.0 4.433 4.433 3.272 0.000 -0.000 0.000 3/58956 380.0 4.308 4.308 3.178 0.000 -0.000 0.000 3/58956 390.0 4.189 4.189 3.090 0.000 -0.000 0.000 3/58956 400.0 4.077 4.077 3.006 0.000 -0.000 0.000 3/58956 410.0 3.970 3.970 2.927 0.000 -0.000 0.000 3/58956 420.0 3.870 3.870 2.852 0.000 -0.000 0.000 3/58956 430.0 3.774 3.774 2.781 0.000 -0.000 0.000 3/58956 440.0 3.683 3.683 2.713 0.000 -0.000 0.000 3/58956 450.0 3.597 3.597 2.649 0.000 -0.000 0.000 3/58956 460.0 3.514 3.514 2.588 0.000 -0.000 0.000 3/58956 470.0 3.436 3.436 2.530 0.000 -0.000 0.000 3/58956 480.0 3.361 3.361 2.474 0.000 -0.000 0.000 3/58956 490.0 3.289 3.289 2.421 0.000 -0.000 0.000 3/58956 500.0 3.220 3.220 2.370 0.000 -0.000 0.000 3/58956 510.0 3.154 3.154 2.321 0.000 -0.000 0.000 3/58956 520.0 3.091 3.091 2.274 0.000 -0.000 0.000 3/58956 530.0 3.030 3.030 2.229 0.000 -0.000 0.000 3/58956 540.0 2.972 2.972 2.186 0.000 -0.000 0.000 3/58956 550.0 2.916 2.916 2.144 0.000 -0.000 0.000 3/58956 560.0 2.862 2.862 2.104 0.000 -0.000 0.000 3/58956 570.0 2.810 2.810 2.066 0.000 -0.000 0.000 3/58956 580.0 2.760 2.760 2.029 0.000 -0.000 0.000 3/58956 590.0 2.712 2.712 1.993 0.000 -0.000 0.000 3/58956 600.0 2.665 2.665 1.959 0.000 -0.000 0.000 3/58956 610.0 2.620 2.620 1.925 0.000 -0.000 0.000 3/58956 620.0 2.576 2.576 1.893 0.000 -0.000 0.000 3/58956 630.0 2.534 2.534 1.862 0.000 -0.000 0.000 3/58956 640.0 2.494 2.494 1.832 0.000 -0.000 0.000 3/58956 650.0 2.454 2.454 1.803 0.000 -0.000 0.000 3/58956 660.0 2.416 2.416 1.775 0.000 -0.000 0.000 3/58956 670.0 2.379 2.379 1.748 0.000 -0.000 0.000 3/58956 680.0 2.343 2.343 1.721 0.000 -0.000 0.000 3/58956 690.0 2.309 2.309 1.696 0.000 -0.000 0.000 3/58956 700.0 2.275 2.275 1.671 0.000 -0.000 0.000 3/58956 710.0 2.242 2.242 1.647 0.000 -0.000 0.000 3/58956 720.0 2.210 2.210 1.623 0.000 -0.000 0.000 3/58956 730.0 2.179 2.179 1.600 0.000 -0.000 0.000 3/58956 740.0 2.149 2.149 1.578 0.000 -0.000 0.000 3/58956 750.0 2.120 2.120 1.557 0.000 -0.000 0.000 3/58956 760.0 2.092 2.092 1.536 0.000 -0.000 0.000 3/58956 770.0 2.064 2.064 1.515 0.000 -0.000 0.000 3/58956 780.0 2.037 2.037 1.495 0.000 -0.000 0.000 3/58956 790.0 2.011 2.011 1.476 0.000 -0.000 0.000 3/58956 800.0 1.985 1.985 1.457 0.000 -0.000 0.000 3/58956 810.0 1.960 1.960 1.439 0.000 -0.000 0.000 3/58956 820.0 1.936 1.936 1.421 0.000 -0.000 0.000 3/58956 830.0 1.912 1.912 1.404 0.000 -0.000 0.000 3/58956 840.0 1.889 1.889 1.387 0.000 -0.000 0.000 3/58956 850.0 1.866 1.866 1.370 0.000 -0.000 0.000 3/58956 860.0 1.844 1.844 1.354 0.000 -0.000 0.000 3/58956 870.0 1.823 1.823 1.338 0.000 -0.000 0.000 3/58956 880.0 1.802 1.802 1.322 0.000 -0.000 0.000 3/58956 890.0 1.781 1.781 1.307 0.000 -0.000 0.000 3/58956 900.0 1.761 1.761 1.293 0.000 -0.000 0.000 3/58956 910.0 1.742 1.742 1.278 0.000 -0.000 0.000 3/58956 920.0 1.723 1.723 1.264 0.000 -0.000 0.000 3/58956 930.0 1.704 1.704 1.250 0.000 -0.000 0.000 3/58956 940.0 1.685 1.685 1.237 0.000 -0.000 0.000 3/58956 950.0 1.667 1.667 1.223 0.000 -0.000 0.000 3/58956 960.0 1.650 1.650 1.211 0.000 -0.000 0.000 3/58956 970.0 1.633 1.633 1.198 0.000 -0.000 0.000 3/58956 980.0 1.616 1.616 1.186 0.000 -0.000 0.000 3/58956 990.0 1.599 1.599 1.173 0.000 -0.000 0.000 3/58956 1000.0 1.583 1.583 1.161 0.000 -0.000 0.000 3/58956 Thermal conductivity related properties were written into "kappa-m171717.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:25:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|