----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:23:18]------------------------- 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 1.715150692994325 0.990242714301045 6.467407923333326 b -1.715150692994321 0.990242714301045 6.467407923333326 c 0.000000000000002 -1.980485428602092 6.467407923333326 Atomic positions (fractional): *1 O 0.22450769747197 0.22450769747197 0.22450769747197 15.999 2 O 0.77549230252803 0.77549230252803 0.77549230252804 15.999 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.430301385988646 0.000000000000000 0.000000000000000 b -1.715150692994323 2.970728142903137 0.000000000000000 c 0.000000000000000 0.000000000000000 19.402223769999999 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.22450769747197 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.10882563586137 15.999 > 2 3 O 0.66666666666667 0.33333333333333 0.55784103080530 15.999 > 1 4 O 0.33333333333333 0.66666666666667 0.44215896919470 15.999 > 2 5 O 0.33333333333333 0.66666666666667 0.89117436413863 15.999 > 1 6 O 0.00000000000000 0.00000000000000 0.77549230252804 15.999 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 3 *10 Er 0.33333333333333 0.66666666666667 0.16666666666667 167.259 > 4 11 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 4 12 Er 0.66666666666667 0.33333333333333 0.83333333333333 167.259 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.290904157965938 0.000000000000000 0.000000000000000 b -5.145452078982969 8.912184428709411 0.000000000000000 c 0.000000000000000 0.000000000000000 19.402223769999999 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.22450769747197 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.22450769747197 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.22450769747197 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.22450769747197 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.22450769747197 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.22450769747197 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.22450769747197 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.22450769747197 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.22450769747197 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10882563586137 15.999 > 2 11 O 0.55555555555556 0.11111111111111 0.10882563586137 15.999 > 2 12 O 0.88888888888889 0.11111111111111 0.10882563586137 15.999 > 2 13 O 0.22222222222222 0.44444444444444 0.10882563586137 15.999 > 2 14 O 0.55555555555556 0.44444444444444 0.10882563586137 15.999 > 2 15 O 0.88888888888889 0.44444444444444 0.10882563586137 15.999 > 2 16 O 0.22222222222222 0.77777777777778 0.10882563586137 15.999 > 2 17 O 0.55555555555556 0.77777777777778 0.10882563586137 15.999 > 2 18 O 0.88888888888889 0.77777777777778 0.10882563586137 15.999 > 2 19 O 0.22222222222222 0.11111111111111 0.55784103080530 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.55784103080530 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.55784103080530 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.55784103080530 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.55784103080530 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.55784103080530 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.55784103080530 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.55784103080530 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.55784103080530 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.44215896919470 15.999 > 2 29 O 0.44444444444444 0.22222222222222 0.44215896919470 15.999 > 2 30 O 0.77777777777778 0.22222222222222 0.44215896919470 15.999 > 2 31 O 0.11111111111111 0.55555555555556 0.44215896919470 15.999 > 2 32 O 0.44444444444444 0.55555555555556 0.44215896919470 15.999 > 2 33 O 0.77777777777778 0.55555555555556 0.44215896919470 15.999 > 2 34 O 0.11111111111111 0.88888888888889 0.44215896919470 15.999 > 2 35 O 0.44444444444444 0.88888888888889 0.44215896919470 15.999 > 2 36 O 0.77777777777778 0.88888888888889 0.44215896919470 15.999 > 2 37 O 0.11111111111111 0.22222222222222 0.89117436413863 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89117436413863 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89117436413863 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89117436413863 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89117436413863 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89117436413863 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89117436413863 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89117436413863 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89117436413863 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.77549230252804 15.999 > 2 47 O 0.33333333333333 0.00000000000000 0.77549230252804 15.999 > 2 48 O 0.66666666666667 0.00000000000000 0.77549230252804 15.999 > 2 49 O 0.00000000000000 0.33333333333333 0.77549230252804 15.999 > 2 50 O 0.33333333333333 0.33333333333333 0.77549230252804 15.999 > 2 51 O 0.66666666666667 0.33333333333333 0.77549230252804 15.999 > 2 52 O 0.00000000000000 0.66666666666667 0.77549230252804 15.999 > 2 53 O 0.33333333333333 0.66666666666667 0.77549230252804 15.999 > 2 54 O 0.66666666666667 0.66666666666667 0.77549230252804 15.999 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 3 *82 Er 0.11111111111111 0.22222222222222 0.16666666666667 167.259 > 4 83 Er 0.44444444444444 0.22222222222222 0.16666666666667 167.259 > 4 84 Er 0.77777777777778 0.22222222222222 0.16666666666667 167.259 > 4 85 Er 0.11111111111111 0.55555555555556 0.16666666666667 167.259 > 4 86 Er 0.44444444444444 0.55555555555556 0.16666666666667 167.259 > 4 87 Er 0.77777777777778 0.55555555555556 0.16666666666667 167.259 > 4 88 Er 0.11111111111111 0.88888888888889 0.16666666666667 167.259 > 4 89 Er 0.44444444444444 0.88888888888889 0.16666666666667 167.259 > 4 90 Er 0.77777777777778 0.88888888888889 0.16666666666667 167.259 > 4 91 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 4 92 Er 0.33333333333333 0.00000000000000 0.50000000000000 167.259 > 4 93 Er 0.66666666666667 0.00000000000000 0.50000000000000 167.259 > 4 94 Er 0.00000000000000 0.33333333333333 0.50000000000000 167.259 > 4 95 Er 0.33333333333333 0.33333333333333 0.50000000000000 167.259 > 4 96 Er 0.66666666666667 0.33333333333333 0.50000000000000 167.259 > 4 97 Er 0.00000000000000 0.66666666666667 0.50000000000000 167.259 > 4 98 Er 0.33333333333333 0.66666666666667 0.50000000000000 167.259 > 4 99 Er 0.66666666666667 0.66666666666667 0.50000000000000 167.259 > 4 100 Er 0.22222222222222 0.11111111111111 0.83333333333333 167.259 > 4 101 Er 0.55555555555556 0.11111111111111 0.83333333333333 167.259 > 4 102 Er 0.88888888888889 0.11111111111111 0.83333333333333 167.259 > 4 103 Er 0.22222222222222 0.44444444444444 0.83333333333333 167.259 > 4 104 Er 0.55555555555556 0.44444444444444 0.83333333333333 167.259 > 4 105 Er 0.88888888888889 0.44444444444444 0.83333333333333 167.259 > 4 106 Er 0.22222222222222 0.77777777777778 0.83333333333333 167.259 > 4 107 Er 0.55555555555556 0.77777777777778 0.83333333333333 167.259 > 4 108 Er 0.88888888888889 0.77777777777778 0.83333333333333 167.259 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9125178 -0.0000000 0.0000000 0.0000000 3.9125178 0.0000000 0.0000000 0.0000000 3.5497359 -------------------------- Born effective charges -------------------------- 1 O -2.6312689 0.0000000 0.0000000 0.0000000 -2.6312689 0.0000000 0.0000000 0.0000000 -2.1285470 2 O -2.6312689 0.0000000 0.0000000 0.0000000 -2.6312689 0.0000000 0.0000000 0.0000000 -2.1285470 3 Rb 1.0785298 -0.0000000 0.0000000 0.0000000 1.0785298 0.0000000 0.0000000 0.0000000 1.7523297 4 Er 4.1840080 -0.0000000 0.0000000 0.0000000 4.1840080 0.0000000 0.0000000 0.0000000 2.5047644 ---------------------------------------------------------------------------- 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: 169 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): 0.012 Solver_block: 80 / 80 - Time: 0.189 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.229 --------------------------------- 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: 169 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 22:23:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:23:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.715150692994325 0.990242714301045 6.467407923333326 b -1.715150692994321 0.990242714301045 6.467407923333326 c 0.000000000000002 -1.980485428602092 6.467407923333326 Atomic positions (fractional): 1 O 0.22450769747197 0.22450769747197 0.22450769747197 15.999 2 O 0.77549230252803 0.77549230252803 0.77549230252804 15.999 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.290904157965938 0.000000000000000 0.000000000000000 b -5.145452078982969 8.912184428709411 0.000000000000000 c 0.000000000000000 0.000000000000000 19.402223769999999 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.22450769747197 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.22450769747197 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.22450769747197 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.22450769747197 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.22450769747197 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.22450769747197 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.22450769747197 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.22450769747197 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.22450769747197 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10882563586137 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.10882563586137 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.10882563586137 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.10882563586137 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.10882563586137 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.10882563586137 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.10882563586137 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.10882563586137 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.10882563586137 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.55784103080530 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.55784103080530 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.55784103080530 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.55784103080530 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.55784103080530 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.55784103080530 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.55784103080530 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.55784103080530 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.55784103080530 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.44215896919470 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.44215896919470 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.44215896919470 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.44215896919470 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.44215896919470 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.44215896919470 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.44215896919470 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.44215896919470 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.44215896919470 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.89117436413863 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89117436413863 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89117436413863 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89117436413863 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89117436413863 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89117436413863 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89117436413863 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89117436413863 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89117436413863 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.77549230252804 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.77549230252804 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.77549230252804 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.77549230252804 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.77549230252804 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.77549230252804 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.77549230252804 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.77549230252804 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.77549230252804 15.999 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Er 0.11111111111111 0.22222222222222 0.16666666666667 167.259 > 82 83 Er 0.44444444444444 0.22222222222222 0.16666666666667 167.259 > 82 84 Er 0.77777777777778 0.22222222222222 0.16666666666667 167.259 > 82 85 Er 0.11111111111111 0.55555555555556 0.16666666666667 167.259 > 82 86 Er 0.44444444444444 0.55555555555556 0.16666666666667 167.259 > 82 87 Er 0.77777777777778 0.55555555555556 0.16666666666667 167.259 > 82 88 Er 0.11111111111111 0.88888888888889 0.16666666666667 167.259 > 82 89 Er 0.44444444444444 0.88888888888889 0.16666666666667 167.259 > 82 90 Er 0.77777777777778 0.88888888888889 0.16666666666667 167.259 > 82 91 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 82 92 Er 0.33333333333333 0.00000000000000 0.50000000000000 167.259 > 82 93 Er 0.66666666666667 0.00000000000000 0.50000000000000 167.259 > 82 94 Er 0.00000000000000 0.33333333333333 0.50000000000000 167.259 > 82 95 Er 0.33333333333333 0.33333333333333 0.50000000000000 167.259 > 82 96 Er 0.66666666666667 0.33333333333333 0.50000000000000 167.259 > 82 97 Er 0.00000000000000 0.66666666666667 0.50000000000000 167.259 > 82 98 Er 0.33333333333333 0.66666666666667 0.50000000000000 167.259 > 82 99 Er 0.66666666666667 0.66666666666667 0.50000000000000 167.259 > 82 100 Er 0.22222222222222 0.11111111111111 0.83333333333333 167.259 > 82 101 Er 0.55555555555556 0.11111111111111 0.83333333333333 167.259 > 82 102 Er 0.88888888888889 0.11111111111111 0.83333333333333 167.259 > 82 103 Er 0.22222222222222 0.44444444444444 0.83333333333333 167.259 > 82 104 Er 0.55555555555556 0.44444444444444 0.83333333333333 167.259 > 82 105 Er 0.88888888888889 0.44444444444444 0.83333333333333 167.259 > 82 106 Er 0.22222222222222 0.77777777777778 0.83333333333333 167.259 > 82 107 Er 0.55555555555556 0.77777777777778 0.83333333333333 167.259 > 82 108 Er 0.88888888888889 0.77777777777778 0.83333333333333 167.259 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9125178 -0.0000000 0.0000000 0.0000000 3.9125178 0.0000000 0.0000000 0.0000000 3.5497359 -------------------------- Born effective charges -------------------------- 1 O -2.6312689 0.0000000 0.0000000 0.0000000 -2.6312689 0.0000000 0.0000000 0.0000000 -2.1285470 2 O -2.6312689 0.0000000 0.0000000 0.0000000 -2.6312689 0.0000000 0.0000000 0.0000000 -2.1285470 3 Rb 1.0785298 -0.0000000 0.0000000 0.0000000 1.0785298 0.0000000 0.0000000 0.0000000 1.7523297 4 Er 4.1840080 -0.0000000 0.0000000 0.0000000 4.1840080 0.0000000 0.0000000 0.0000000 2.5047644 ---------------------------------------------------------------------------- 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 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) 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 22:23:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:23:28]------------------------- 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 1.715150692994325 0.990242714301045 6.467407923333326 b -1.715150692994321 0.990242714301045 6.467407923333326 c 0.000000000000002 -1.980485428602092 6.467407923333326 Atomic positions (fractional): 1 O 0.22450769747197 0.22450769747197 0.22450769747197 15.999 2 O 0.77549230252803 0.77549230252803 0.77549230252804 15.999 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.290904157965938 0.000000000000000 0.000000000000000 b -5.145452078982969 8.912184428709411 0.000000000000000 c 0.000000000000000 0.000000000000000 19.402223769999999 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.22450769747197 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.22450769747197 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.22450769747197 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.22450769747197 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.22450769747197 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.22450769747197 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.22450769747197 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.22450769747197 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.22450769747197 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10882563586137 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.10882563586137 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.10882563586137 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.10882563586137 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.10882563586137 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.10882563586137 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.10882563586137 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.10882563586137 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.10882563586137 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.55784103080530 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.55784103080530 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.55784103080530 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.55784103080530 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.55784103080530 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.55784103080530 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.55784103080530 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.55784103080530 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.55784103080530 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.44215896919470 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.44215896919470 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.44215896919470 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.44215896919470 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.44215896919470 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.44215896919470 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.44215896919470 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.44215896919470 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.44215896919470 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.89117436413863 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89117436413863 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89117436413863 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89117436413863 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89117436413863 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89117436413863 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89117436413863 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89117436413863 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89117436413863 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.77549230252804 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.77549230252804 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.77549230252804 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.77549230252804 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.77549230252804 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.77549230252804 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.77549230252804 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.77549230252804 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.77549230252804 15.999 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Er 0.11111111111111 0.22222222222222 0.16666666666667 167.259 > 82 83 Er 0.44444444444444 0.22222222222222 0.16666666666667 167.259 > 82 84 Er 0.77777777777778 0.22222222222222 0.16666666666667 167.259 > 82 85 Er 0.11111111111111 0.55555555555556 0.16666666666667 167.259 > 82 86 Er 0.44444444444444 0.55555555555556 0.16666666666667 167.259 > 82 87 Er 0.77777777777778 0.55555555555556 0.16666666666667 167.259 > 82 88 Er 0.11111111111111 0.88888888888889 0.16666666666667 167.259 > 82 89 Er 0.44444444444444 0.88888888888889 0.16666666666667 167.259 > 82 90 Er 0.77777777777778 0.88888888888889 0.16666666666667 167.259 > 82 91 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 82 92 Er 0.33333333333333 0.00000000000000 0.50000000000000 167.259 > 82 93 Er 0.66666666666667 0.00000000000000 0.50000000000000 167.259 > 82 94 Er 0.00000000000000 0.33333333333333 0.50000000000000 167.259 > 82 95 Er 0.33333333333333 0.33333333333333 0.50000000000000 167.259 > 82 96 Er 0.66666666666667 0.33333333333333 0.50000000000000 167.259 > 82 97 Er 0.00000000000000 0.66666666666667 0.50000000000000 167.259 > 82 98 Er 0.33333333333333 0.66666666666667 0.50000000000000 167.259 > 82 99 Er 0.66666666666667 0.66666666666667 0.50000000000000 167.259 > 82 100 Er 0.22222222222222 0.11111111111111 0.83333333333333 167.259 > 82 101 Er 0.55555555555556 0.11111111111111 0.83333333333333 167.259 > 82 102 Er 0.88888888888889 0.11111111111111 0.83333333333333 167.259 > 82 103 Er 0.22222222222222 0.44444444444444 0.83333333333333 167.259 > 82 104 Er 0.55555555555556 0.44444444444444 0.83333333333333 167.259 > 82 105 Er 0.88888888888889 0.44444444444444 0.83333333333333 167.259 > 82 106 Er 0.22222222222222 0.77777777777778 0.83333333333333 167.259 > 82 107 Er 0.55555555555556 0.77777777777778 0.83333333333333 167.259 > 82 108 Er 0.88888888888889 0.77777777777778 0.83333333333333 167.259 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9125178 -0.0000000 0.0000000 0.0000000 3.9125178 0.0000000 0.0000000 0.0000000 3.5497359 -------------------------- Born effective charges -------------------------- 1 O -2.6312689 0.0000000 0.0000000 0.0000000 -2.6312689 0.0000000 0.0000000 0.0000000 -2.1285470 2 O -2.6312689 0.0000000 0.0000000 0.0000000 -2.6312689 0.0000000 0.0000000 0.0000000 -2.1285470 3 Rb 1.0785298 -0.0000000 0.0000000 0.0000000 1.0785298 0.0000000 0.0000000 0.0000000 1.7523297 4 Er 4.1840080 -0.0000000 0.0000000 0.0000000 4.1840080 0.0000000 0.0000000 0.0000000 2.5047644 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) 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: 1.03, Number of G-points: 301, Lambda: 0.21 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 1.10e-04 7.23e-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 2.127 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 4.432 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 9.974 ( 0.000 0.000 0.000) 0.000 11.023 ( 0.000 0.000 0.000) 0.000 11.023 ( 0.000 0.000 0.000) 0.000 14.389 ( 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 19.263 11.122 6.834) 23.270 0.567 ( 24.515 14.154 -0.917) 28.323 1.040 ( 43.488 25.108 6.809) 50.675 2.158 ( 2.727 1.575 -0.562) 3.199 2.282 ( 11.943 6.895 -0.306) 13.794 4.431 ( -1.195 -0.690 3.476) 3.740 7.188 ( 5.090 2.939 0.338) 5.887 9.720 ( -14.200 -8.198 -12.308) 20.502 10.990 ( -2.825 -1.631 -0.000) 3.262 11.180 ( 13.641 7.876 -18.261) 24.116 14.115 ( -19.170 -11.068 3.667) 22.437 14.968 ( 9.433 5.446 -4.963) 11.970 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 18.899 10.912 4.941) 22.375 1.104 ( 22.366 12.913 -0.543) 25.832 1.986 ( 36.012 20.791 6.436) 42.078 2.249 ( 5.456 3.150 -1.054) 6.387 2.684 ( 23.623 13.639 -0.416) 27.281 4.403 ( -1.749 -1.010 -0.215) 2.031 7.362 ( 10.008 5.778 0.392) 11.562 9.310 ( -18.689 -10.790 0.822) 21.596 10.899 ( -4.969 -2.869 0.073) 5.738 11.440 ( 13.054 7.537 -20.648) 25.564 13.636 ( -23.646 -13.652 9.038) 28.761 15.117 ( 4.515 2.607 -5.072) 7.273 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 18.081 10.439 3.276) 21.134 1.572 ( 18.260 10.542 -0.081) 21.085 2.403 ( 8.381 4.839 -1.378) 9.775 2.672 ( 23.166 13.375 4.435) 27.115 3.362 ( 34.098 19.687 0.117) 39.373 4.347 ( -2.852 -1.646 -1.902) 3.803 7.642 ( 14.245 8.224 0.011) 16.449 8.915 ( -15.239 -8.798 -0.419) 17.601 10.772 ( -5.943 -3.431 0.290) 6.868 11.617 ( 7.307 4.219 -19.885) 21.601 13.110 ( -25.326 -14.622 15.878) 33.276 15.144 ( -0.333 -0.192 -7.256) 7.266 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 16.596 9.582 2.811) 19.369 1.927 ( 12.745 7.358 0.168) 14.718 2.622 ( 11.009 6.356 -1.346) 12.783 3.132 ( 16.966 9.795 1.938) 19.686 4.119 ( 25.691 14.833 -5.943) 30.255 4.284 ( 2.721 1.571 3.828) 4.952 8.001 ( 16.889 9.751 -0.752) 19.516 8.638 ( -7.832 -4.522 -4.493) 10.098 10.640 ( -5.581 -3.222 0.693) 6.482 11.633 ( -0.963 -0.556 -20.461) 20.491 12.589 ( -25.051 -14.463 22.944) 36.921 15.078 ( -2.681 -1.548 -9.056) 9.570 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 14.514 8.379 3.573) 17.135 2.164 ( 8.209 4.740 0.109) 9.480 2.880 ( 11.330 6.541 -0.968) 13.118 3.470 ( 12.499 7.217 -1.877) 14.555 4.111 ( -5.662 -3.269 -3.117) 7.243 4.851 ( 26.270 15.167 2.487) 30.435 8.390 ( 16.965 9.795 -1.654) 19.659 8.545 ( 1.587 0.916 -8.054) 8.260 10.530 ( -4.081 -2.356 1.240) 4.873 11.442 ( -10.407 -6.008 -18.554) 22.105 12.111 ( -23.040 -13.302 24.098) 35.896 14.992 ( -1.946 -1.124 -8.832) 9.114 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 5.284 3.050 0.003) 6.101 2.447 ( 12.331 7.119 4.827) 15.035 3.115 ( 9.167 5.292 -0.573) 10.601 3.665 ( 4.490 2.592 -10.113) 11.364 3.987 ( -3.492 -2.016 4.638) 6.146 5.379 ( 19.270 11.126 1.232) 22.285 8.662 ( 10.767 6.216 -9.768) 15.811 8.744 ( 14.069 8.123 -2.268) 16.403 10.465 ( -2.000 -1.155 1.686) 2.860 11.066 ( -18.383 -10.613 -8.184) 22.749 11.680 ( -19.516 -11.268 13.969) 26.514 14.948 ( 0.126 0.073 -6.555) 6.557 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 3.057 1.765 -0.034) 3.530 2.724 ( 10.512 6.069 5.713) 13.415 3.286 ( 5.791 3.344 -0.291) 6.693 3.579 ( -6.912 -3.991 -10.862) 13.479 4.024 ( 3.405 1.966 4.998) 6.359 5.738 ( 11.859 6.847 0.577) 13.706 8.966 ( 18.120 10.462 -9.679) 23.054 9.003 ( 8.910 5.144 -2.063) 10.493 10.446 ( -0.298 -0.172 1.570) 1.607 10.568 ( -24.157 -13.947 2.702) 28.024 11.329 ( -12.747 -7.360 3.015) 15.025 14.951 ( 1.199 0.692 -3.666) 3.918 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 1.010 0.583 -0.017) 1.166 2.950 ( 6.834 3.946 4.418) 9.044 3.375 ( 1.967 1.136 -0.088) 2.273 3.380 ( -6.345 -3.663 -5.829) 9.362 4.099 ( 1.659 0.958 1.416) 2.382 5.922 ( 4.044 2.335 0.170) 4.673 9.134 ( 2.969 1.714 -0.841) 3.530 9.409 ( 21.817 12.596 -8.190) 26.490 10.011 ( -24.328 -14.046 6.679) 28.875 10.450 ( 0.155 0.089 0.650) 0.674 11.136 ( -4.279 -2.471 -0.151) 4.944 14.967 ( 0.636 0.367 -1.136) 1.353 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 0.000 20.758 19.366) 28.389 0.611 ( 0.000 27.637 8.313) 28.860 1.026 ( 0.000 49.367 4.225) 49.547 2.157 ( 0.000 3.196 -0.800) 3.295 2.278 ( 0.000 13.766 -1.276) 13.825 4.445 ( 0.000 -3.378 6.052) 6.930 7.189 ( 0.000 5.902 0.650) 5.938 9.618 ( -0.000 -6.292 -33.122) 33.714 10.987 ( -0.000 -3.358 -0.561) 3.404 11.177 ( -0.000 17.827 -16.976) 24.617 14.117 ( -0.000 -22.950 4.079) 23.309 14.938 ( -0.000 12.608 -10.410) 16.350 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 7.937 18.853 14.211) 24.908 1.020 ( 11.196 24.509 4.145) 27.262 1.751 ( 24.292 37.160 6.416) 44.857 2.219 ( 2.862 5.232 -1.308) 6.105 2.540 ( 11.708 19.697 -1.344) 22.953 4.414 ( -1.193 -2.196 0.557) 2.560 7.307 ( 4.968 8.776 0.925) 10.127 9.399 ( -6.996 -16.467 -5.297) 18.659 10.910 ( -2.729 -4.957 -1.267) 5.799 11.340 ( 4.634 17.155 -22.474) 28.650 13.783 ( -11.600 -24.106 7.757) 27.853 15.067 ( 4.040 7.023 -7.516) 11.052 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 12.534 15.812 9.040) 22.110 1.459 ( 12.640 19.662 2.152) 23.474 2.351 ( 5.353 8.199 -1.698) 9.938 2.472 ( 21.240 22.009 5.731) 31.118 3.078 ( 24.614 26.423 -0.890) 36.122 4.363 ( -1.977 -2.222 -2.216) 3.708 7.536 ( 9.565 11.417 0.861) 14.919 9.057 ( -12.918 -13.984 0.901) 19.059 10.803 ( -3.117 -5.670 -0.819) 6.522 11.500 ( 5.402 10.118 -23.440) 26.096 13.334 ( -16.597 -23.027 13.785) 31.555 15.130 ( 0.381 2.351 -7.675) 8.036 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 13.617 13.501 5.766) 20.023 1.835 ( 10.543 14.180 1.545) 17.738 2.555 ( 7.486 11.714 -1.712) 14.007 2.969 ( 16.005 13.596 3.266) 21.253 3.814 ( 28.379 24.728 -2.190) 37.705 4.296 ( -1.942 -1.732 -1.221) 2.874 7.858 ( 13.039 13.485 0.365) 18.762 8.732 ( -10.901 -8.224 -1.771) 13.770 10.691 ( -3.964 -4.161 -0.008) 5.747 11.556 ( 1.858 1.653 -22.792) 22.927 12.861 ( -18.746 -21.164 20.175) 34.733 15.088 ( -2.939 -0.398 -9.014) 9.489 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 13.330 11.065 4.580) 17.919 2.108 ( 7.070 10.052 0.966) 12.327 2.818 ( 8.141 14.151 -1.344) 16.381 3.331 ( 12.523 9.106 0.057) 15.483 4.133 ( -1.926 -2.437 -6.912) 7.578 4.591 ( 24.299 19.312 4.518) 31.366 8.233 ( 14.196 13.816 -0.513) 19.816 8.542 ( -3.533 -1.322 -5.621) 6.769 10.591 ( -4.343 -1.577 0.723) 4.677 11.446 ( -4.502 -5.738 -21.177) 22.398 12.401 ( -19.619 -18.489 23.190) 35.560 14.992 ( -3.129 -1.569 -9.252) 9.893 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 4.603 7.566 1.005) 8.913 2.326 ( 11.796 9.066 4.207) 15.461 3.085 ( 6.315 14.557 -0.953) 15.896 3.567 ( 7.423 4.332 -6.521) 10.789 4.030 ( -3.496 -3.418 0.435) 4.909 5.164 ( 20.603 14.533 2.164) 25.305 8.509 ( 7.834 3.041 -6.415) 10.572 8.648 ( 10.725 14.695 -3.170) 18.467 10.517 ( -3.958 0.486 1.352) 4.211 11.175 ( -10.758 -10.445 -15.091) 21.274 11.957 ( -20.335 -14.829 18.453) 31.208 14.915 ( -0.448 -1.962 -7.362) 7.632 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 1.709 6.823 0.249) 7.038 2.615 ( 10.984 6.687 5.138) 13.847 3.303 ( 2.793 13.668 -0.703) 13.968 3.589 ( -2.353 -2.554 -12.712) 13.178 4.006 ( 1.694 -0.104 6.507) 6.724 5.588 ( 14.627 8.801 1.238) 17.115 8.720 ( 14.843 5.869 -7.764) 17.750 8.958 ( 8.314 14.294 -3.142) 16.832 10.466 ( -3.263 -0.261 1.908) 3.789 10.796 ( -16.388 -12.185 -5.090) 21.046 11.544 ( -17.968 -8.308 8.358) 21.488 14.894 ( 2.429 -2.524 -4.273) 5.525 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( -0.630 5.997 0.008) 6.030 2.863 ( 9.251 4.484 4.885) 11.382 3.419 ( -4.549 -0.993 -8.347) 9.558 3.450 ( -3.107 8.749 -1.967) 9.490 4.070 ( 2.729 -0.207 4.023) 4.865 5.846 ( 8.048 3.437 0.703) 8.779 9.059 ( 16.488 6.607 -4.466) 18.315 9.193 ( 7.355 12.161 -5.864) 15.374 10.276 ( -19.106 -12.704 5.115) 23.507 10.480 ( -4.329 -1.272 -0.293) 4.521 11.267 ( -10.980 0.560 1.212) 11.061 14.910 ( 3.507 -3.476 -1.338) 5.116 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -2.825 4.884 -0.122) 5.644 2.980 ( -1.165 -2.280 -1.704) 3.075 3.331 ( 2.851 1.388 -0.646) 3.237 3.491 ( -5.794 10.124 -0.035) 11.665 4.095 ( 0.242 -2.070 1.140) 2.375 5.933 ( 0.659 -1.401 0.328) 1.582 9.208 ( -2.936 5.474 -0.441) 6.227 9.484 ( 9.793 -5.445 -2.946) 11.586 9.890 ( -8.150 4.279 2.354) 9.501 10.449 ( 0.461 -0.830 0.242) 0.980 11.180 ( -3.805 6.478 -0.368) 7.522 14.928 ( 2.916 -4.317 1.115) 5.327 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -4.821 3.381 -0.217) 5.892 2.815 ( -8.897 -5.626 -5.794) 12.016 3.444 ( -9.610 7.473 0.459) 12.182 3.503 ( 9.170 4.287 6.305) 11.926 4.043 ( -2.821 -3.531 -1.869) 4.891 5.843 ( -7.248 -5.402 -0.010) 9.040 9.091 ( -10.786 -8.053 2.610) 13.711 9.249 ( -15.650 -3.432 6.306) 17.219 10.227 ( 21.679 11.101 -5.648) 25.002 10.480 ( 2.727 4.185 -0.099) 4.997 11.255 ( 4.140 8.470 -1.393) 9.530 14.932 ( 1.949 -4.278 3.423) 5.815 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( -6.648 1.506 -0.365) 6.827 2.569 ( -11.113 -5.626 -4.977) 13.414 3.308 ( -13.255 4.701 0.533) 14.074 3.699 ( 4.264 0.886 11.390) 12.194 3.944 ( -1.294 -1.944 -6.976) 7.356 5.580 ( -15.287 -8.463 -0.436) 17.479 8.790 ( -11.506 -10.638 7.448) 17.350 8.989 ( -16.867 -0.337 3.503) 17.230 10.450 ( 2.068 2.904 -1.605) 3.909 10.823 ( 22.585 11.409 0.477) 25.307 11.472 ( 12.120 8.711 -6.950) 16.465 14.940 ( 1.856 -2.836 5.771) 6.693 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( -10.424 -4.227 -2.620) 11.549 2.301 ( -11.871 -1.791 -1.194) 12.065 3.093 ( -15.698 2.005 0.778) 15.845 3.616 ( -10.563 -5.837 4.348) 12.828 4.025 ( 8.088 2.790 -0.577) 8.575 5.149 ( -23.491 -10.851 -1.099) 25.899 8.564 ( -9.037 -6.781 5.470) 12.553 8.683 ( -15.979 -2.042 4.766) 16.800 10.505 ( 1.647 3.894 -1.396) 4.452 11.304 ( 19.003 6.836 12.708) 23.861 11.781 ( 18.661 8.459 -19.491) 28.279 14.984 ( 2.819 -0.411 7.575) 8.093 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -16.218 -6.288 -2.056) 17.516 2.103 ( -12.308 -1.509 -0.080) 12.401 2.828 ( -16.158 0.098 0.949) 16.186 3.331 ( -15.693 -6.840 0.053) 17.119 4.182 ( 6.185 1.750 3.472) 7.305 4.557 ( -31.112 -12.280 -2.559) 33.545 8.241 ( -19.359 -6.016 1.043) 20.299 8.595 ( 1.912 1.086 6.004) 6.394 10.583 ( 3.763 3.214 -1.045) 5.058 11.632 ( 7.812 1.549 19.141) 20.732 12.183 ( 26.341 8.936 -24.242) 36.897 15.069 ( 3.435 1.437 7.683) 8.538 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -19.211 -6.051 -1.068) 20.170 1.829 ( -17.528 -2.647 0.194) 17.728 2.567 ( -13.725 -0.659 0.902) 13.770 2.946 ( -21.032 -7.092 -1.793) 22.268 3.824 ( -37.286 -12.352 0.001) 39.279 4.306 ( 4.323 1.211 0.914) 4.581 7.858 ( -18.371 -5.043 0.341) 19.054 8.751 ( 11.143 4.131 2.407) 12.125 10.688 ( 5.812 1.722 -0.545) 6.086 11.729 ( -1.788 -1.104 13.829) 13.988 12.695 ( 29.583 7.885 -15.039) 34.110 15.156 ( 1.921 1.426 5.763) 6.240 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -21.496 -4.843 -0.853) 22.051 1.452 ( -23.377 -2.262 0.570) 23.493 2.361 ( -9.702 -0.630 0.554) 9.738 2.435 ( -31.173 -6.711 -2.450) 31.981 3.081 ( -34.911 -7.678 -0.141) 35.745 4.376 ( 2.589 0.477 0.581) 2.696 7.532 ( -14.777 -2.856 -0.029) 15.051 9.052 ( 18.087 4.131 -0.220) 18.554 10.806 ( 6.631 0.353 -0.092) 6.641 11.653 ( -9.278 -1.266 8.955) 12.957 13.238 ( 29.456 5.145 -6.496) 30.599 15.179 ( -2.028 0.123 2.827) 3.481 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -22.655 -0.000 0.000) 22.655 1.001 ( -27.437 -0.000 0.000) 27.437 1.721 ( -45.228 -0.000 0.000) 45.228 2.225 ( -5.942 -0.000 0.000) 5.942 2.546 ( -22.873 -0.000 0.000) 22.873 4.411 ( 1.338 0.000 -0.000) 1.338 7.303 ( -10.102 -0.000 0.000) 10.102 9.424 ( 21.802 0.000 -0.000) 21.802 10.915 ( 5.725 0.000 -0.000) 5.725 11.451 ( -14.899 -0.000 0.000) 14.899 13.745 ( 27.056 0.000 -0.000) 27.056 15.103 ( -7.035 -0.000 0.000) 7.035 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 0.000 20.097 17.020) 26.336 1.181 ( 0.000 24.705 7.378) 25.783 1.967 ( 0.000 41.271 4.668) 41.534 2.244 ( 0.000 6.391 -1.613) 6.591 2.668 ( 0.000 27.004 -2.079) 27.084 4.400 ( -0.000 -2.764 -0.767) 2.868 7.370 ( 0.000 11.808 1.286) 11.878 9.262 ( -0.000 -16.473 -4.127) 16.983 10.888 ( -0.000 -5.986 -1.084) 6.083 11.414 ( -0.000 16.196 -22.036) 27.348 13.628 ( -0.000 -29.156 7.925) 30.214 15.086 ( -0.000 7.676 -7.829) 10.965 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 3.153 19.252 13.778) 23.884 1.509 ( 7.300 21.104 5.474) 22.992 2.349 ( 4.205 8.952 -1.902) 10.071 2.456 ( 11.185 28.830 4.761) 31.288 3.061 ( 11.437 33.718 -1.998) 35.661 4.358 ( -1.061 -2.685 -2.658) 3.925 7.546 ( 4.700 14.509 1.540) 15.329 9.061 ( -4.772 -15.474 1.344) 16.249 10.790 ( -2.822 -6.109 -1.688) 6.938 11.490 ( 0.764 10.684 -24.033) 26.312 13.306 ( -6.441 -29.173 11.982) 32.189 15.133 ( 0.305 4.153 -7.314) 8.417 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 7.172 16.703 9.686) 20.597 1.843 ( 7.799 16.424 3.754) 18.565 2.554 ( 7.327 13.362 -1.803) 15.345 2.894 ( 11.490 18.065 3.128) 21.637 3.668 ( 19.508 31.615 -2.794) 37.255 4.302 ( -1.330 -1.576 -2.023) 2.888 7.824 ( 8.834 16.764 1.641) 19.020 8.812 ( -8.812 -10.442 0.994) 13.699 10.689 ( -1.680 -4.823 -1.369) 5.287 11.490 ( -0.097 2.466 -24.586) 24.710 12.925 ( -10.233 -26.988 17.288) 33.644 15.115 ( -2.759 0.942 -7.803) 8.330 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 9.266 13.486 6.795) 17.718 2.116 ( 6.208 12.566 2.560) 14.247 2.841 ( 8.126 17.607 -1.444) 19.446 3.234 ( 10.353 11.581 0.574) 15.544 4.091 ( 3.168 2.295 -9.366) 10.150 4.456 ( 15.886 20.476 5.609) 26.516 8.175 ( 10.966 17.503 1.409) 20.703 8.597 ( -6.673 -3.203 -2.444) 7.795 10.630 ( -1.397 -1.511 -0.290) 2.078 11.378 ( -2.629 -5.805 -23.304) 24.160 12.535 ( -12.536 -23.748 20.527) 33.800 15.020 ( -4.819 -1.104 -8.388) 9.736 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 9.701 9.638 5.782) 14.847 2.328 ( 4.407 11.591 1.347) 12.473 3.149 ( 6.372 19.319 -1.380) 20.390 3.471 ( 7.368 5.814 -4.492) 10.405 4.040 ( -1.990 -3.167 -2.244) 4.362 4.993 ( 18.516 18.297 2.850) 26.187 8.437 ( 2.880 4.145 -2.836) 5.790 8.632 ( 8.279 16.244 -1.669) 18.308 10.602 ( -2.883 2.557 0.434) 3.878 11.152 ( -5.780 -11.347 -18.936) 22.819 12.148 ( -14.553 -19.646 18.718) 30.792 14.900 ( -3.539 -2.631 -7.678) 8.855 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 4.207 7.710 3.205) 9.350 2.539 ( 7.352 10.373 2.825) 13.025 3.412 ( 3.278 16.446 -2.931) 17.023 3.553 ( 0.731 1.858 -9.836) 10.036 4.004 ( 0.147 -0.803 5.395) 5.456 5.432 ( 14.833 10.849 1.732) 18.458 8.549 ( 8.635 5.066 -5.156) 11.261 8.969 ( 8.618 18.191 -1.341) 20.174 10.568 ( -5.503 3.882 0.154) 6.736 10.860 ( -8.748 -12.813 -10.738) 18.868 11.770 ( -15.403 -12.815 12.033) 23.372 14.815 ( 0.247 -4.387 -5.369) 6.938 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -0.233 9.079 1.072) 9.145 2.771 ( 8.391 6.096 3.972) 11.106 3.429 ( -3.253 -3.705 -12.103) 13.069 3.635 ( -1.876 17.538 -0.467) 17.644 4.043 ( 1.562 0.316 5.804) 6.019 5.726 ( 10.302 4.063 1.149) 11.133 8.807 ( 15.836 6.651 -4.627) 17.788 9.240 ( 3.931 14.741 -2.621) 15.480 10.474 ( -9.345 0.642 0.931) 9.413 10.543 ( -10.851 -10.329 -2.672) 15.218 11.481 ( -11.844 -1.709 4.279) 12.709 14.787 ( 3.777 -6.315 -2.381) 7.734 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( -3.521 8.762 0.098) 9.443 2.940 ( 4.285 0.514 1.379) 4.530 3.312 ( -1.331 -0.621 -6.828) 6.984 3.736 ( -5.877 15.653 0.090) 16.720 4.072 ( 0.156 -0.803 3.160) 3.264 5.873 ( 4.890 -1.408 0.765) 5.146 9.159 ( 18.431 3.918 -2.895) 19.064 9.345 ( -3.489 5.555 -3.075) 7.245 10.200 ( -18.392 4.279 4.703) 19.460 10.410 ( 0.702 -4.707 -1.641) 5.033 11.354 ( -7.430 6.630 -0.009) 9.958 14.796 ( 5.386 -7.613 0.435) 9.336 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -6.050 6.435 -0.692) 8.860 2.884 ( -6.225 -3.583 -4.371) 8.408 3.398 ( 8.367 3.889 1.872) 9.415 3.740 ( -10.460 13.115 0.613) 16.787 4.044 ( -2.283 -2.441 0.378) 3.364 5.870 ( -1.669 -5.182 0.441) 5.462 9.178 ( -8.393 -11.684 -0.487) 14.395 9.408 ( 0.096 4.188 2.981) 5.142 10.129 ( 0.940 15.992 -2.771) 16.257 10.441 ( 4.745 0.809 1.729) 5.115 11.333 ( -3.340 8.079 -2.143) 9.001 14.819 ( 5.426 -7.434 2.852) 9.635 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -7.448 1.740 -1.878) 7.876 2.702 ( -10.212 -0.804 -3.481) 10.819 3.612 ( 10.017 2.886 5.477) 11.776 3.641 ( -14.918 10.426 1.251) 18.244 3.951 ( -4.373 -3.474 -3.125) 6.400 5.716 ( -9.203 -7.136 0.112) 11.646 8.888 ( -10.493 -11.730 4.038) 16.248 9.295 ( -15.206 2.147 3.083) 15.664 10.424 ( 9.555 12.612 -3.528) 16.212 10.596 ( 11.902 6.225 1.711) 13.540 11.393 ( 3.743 5.881 -4.603) 8.354 14.856 ( 5.139 -5.443 4.786) 8.884 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -9.107 -3.198 -3.077) 10.131 2.509 ( -12.312 2.301 -0.936) 12.560 3.445 ( -18.542 7.555 1.110) 20.053 3.727 ( -5.161 -4.185 7.907) 10.328 3.896 ( 7.346 1.571 -5.799) 9.490 5.413 ( -17.595 -7.685 -0.276) 19.203 8.648 ( -7.620 -7.435 5.357) 11.918 9.004 ( -19.887 -0.236 2.324) 20.024 10.555 ( -1.414 7.926 -0.864) 8.098 11.018 ( 23.867 6.958 4.134) 25.202 11.546 ( 10.797 3.409 -10.127) 15.190 14.922 ( 5.295 -2.332 5.812) 8.201 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -13.130 -3.641 -2.061) 13.781 2.314 ( -12.627 1.305 -0.180) 12.695 3.170 ( -20.243 4.306 0.878) 20.714 3.521 ( -12.607 -4.809 1.178) 13.544 4.070 ( 9.177 1.468 0.459) 9.305 4.958 ( -26.562 -7.224 -0.697) 27.535 8.488 ( -10.147 -3.367 2.630) 11.010 8.679 ( -13.543 -1.057 3.222) 13.961 10.589 ( -0.810 4.558 -0.892) 4.714 11.493 ( 18.881 3.098 17.848) 26.166 11.766 ( 18.749 3.057 -22.487) 29.437 15.023 ( 5.411 0.198 5.281) 7.564 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -17.312 -2.359 -0.644) 17.484 2.091 ( -14.433 -0.048 -0.075) 14.433 2.859 ( -19.055 1.450 0.475) 19.116 3.225 ( -17.373 -3.119 -0.198) 17.652 4.220 ( 6.528 0.421 2.008) 6.843 4.365 ( -34.421 -4.945 -1.698) 34.815 8.165 ( -20.789 -2.050 0.301) 20.892 8.643 ( 4.703 0.747 2.258) 5.271 10.628 ( 2.391 1.510 -0.494) 2.871 11.732 ( 4.492 -0.296 9.542) 10.551 12.189 ( 30.461 3.238 -11.529) 32.730 15.129 ( 4.303 0.817 3.081) 5.355 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -20.523 -0.000 0.000) 20.523 1.808 ( -18.726 -0.000 0.000) 18.726 2.571 ( -14.865 -0.000 0.000) 14.865 2.864 ( -22.981 -0.000 0.000) 22.981 3.693 ( -39.132 -0.000 0.000) 39.132 4.321 ( 4.371 0.000 -0.000) 4.371 7.808 ( -18.890 -0.000 0.000) 18.890 8.804 ( 12.549 0.000 -0.000) 12.549 10.702 ( 5.355 0.000 -0.000) 5.355 11.760 ( -2.331 -0.000 0.000) 2.331 12.726 ( 31.304 0.000 -0.000) 31.304 15.190 ( 1.524 0.000 -0.000) 1.524 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 0.000 17.965 13.917) 22.725 1.660 ( 0.000 19.208 5.836) 20.075 2.394 ( 0.000 10.006 -2.156) 10.236 2.665 ( 0.000 27.129 3.860) 27.402 3.321 ( 0.000 38.328 -2.558) 38.413 4.331 ( -0.000 -2.478 -3.147) 4.005 7.667 ( 0.000 17.011 1.675) 17.093 8.963 ( -0.000 -12.740 3.299) 13.160 10.747 ( -0.000 -7.246 -1.405) 7.381 11.495 ( -0.000 5.887 -26.714) 27.355 13.093 ( -0.000 -30.602 13.550) 33.468 15.152 ( -0.000 3.701 -6.422) 7.412 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 1.793 16.357 11.278) 19.949 1.900 ( 5.178 14.908 4.682) 16.462 2.554 ( 6.406 12.892 -1.886) 14.519 2.961 ( 4.560 20.981 2.454) 21.610 3.754 ( 7.802 33.554 -4.549) 34.748 4.304 ( -0.260 1.052 -1.167) 1.593 7.891 ( 4.673 18.930 1.864) 19.587 8.833 ( -4.150 -8.560 3.545) 10.152 10.656 ( -1.264 -6.135 -1.694) 6.489 11.431 ( -0.618 -1.260 -27.727) 27.763 12.809 ( -3.648 -29.023 16.716) 33.691 15.148 ( -1.873 1.758 -6.068) 6.589 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 4.516 13.752 8.412) 16.741 2.141 ( 6.134 11.494 3.485) 13.486 2.847 ( 10.603 16.609 -1.252) 19.744 3.227 ( 5.217 14.335 -0.248) 15.256 4.045 ( 2.583 4.773 -9.136) 10.627 4.479 ( 8.788 23.426 4.888) 25.493 8.204 ( 8.109 19.782 2.308) 21.504 8.683 ( -6.709 -2.631 0.717) 7.242 10.603 ( 1.322 -2.957 -1.271) 3.480 11.281 ( -2.076 -8.068 -25.579) 26.902 12.501 ( -6.393 -26.406 18.304) 32.760 15.078 ( -5.035 -0.172 -6.415) 8.157 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 6.321 10.314 6.822) 13.888 2.362 ( 5.903 10.947 2.231) 12.635 3.206 ( 9.779 19.348 -1.330) 21.720 3.411 ( 4.800 6.750 -4.854) 9.600 4.030 ( -0.756 -1.720 -2.841) 3.406 4.932 ( 12.687 22.280 3.021) 25.816 8.472 ( -0.323 7.363 0.378) 7.380 8.671 ( 5.323 15.539 -0.113) 16.426 10.633 ( 2.595 2.020 -0.369) 3.310 11.052 ( -3.880 -12.751 -21.423) 25.231 12.180 ( -8.372 -23.406 17.008) 30.120 14.944 ( -6.616 -1.936 -6.656) 9.582 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 6.725 6.827 6.116) 11.368 2.576 ( 4.957 12.214 1.065) 13.224 3.435 ( 1.544 2.895 -9.478) 10.030 3.580 ( 6.513 16.374 -2.711) 17.829 4.016 ( 0.145 0.535 4.432) 4.467 5.327 ( 11.420 13.543 1.842) 17.810 8.505 ( 1.433 5.883 -2.222) 6.450 9.009 ( 8.718 19.748 0.984) 21.609 10.693 ( -2.763 5.518 -3.047) 6.882 10.791 ( -2.757 -13.022 -12.620) 18.343 11.863 ( -9.152 -18.517 12.955) 24.382 14.791 ( -4.851 -4.153 -5.916) 8.705 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 5.788 5.742 5.030) 9.579 2.768 ( 3.022 11.315 0.458) 11.721 3.388 ( -0.810 -3.618 -12.066) 12.623 3.801 ( 1.089 13.074 -0.036) 13.119 4.081 ( 0.821 7.576 5.435) 9.360 5.598 ( 9.256 4.693 1.255) 10.453 8.655 ( 8.672 7.810 -1.833) 11.814 9.311 ( 4.964 15.642 -0.103) 16.411 10.497 ( -5.031 -11.743 -10.537) 16.560 10.730 ( -8.444 6.714 2.196) 11.009 11.614 ( -6.643 -8.357 6.907) 12.715 14.674 ( -0.409 -6.966 -3.947) 8.017 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 1.426 8.101 2.817) 8.695 2.888 ( 1.842 3.806 -0.086) 4.230 3.308 ( -1.060 -0.391 -9.323) 9.392 3.884 ( 0.212 2.163 2.921) 3.641 4.190 ( -4.354 16.021 1.804) 16.700 5.750 ( 6.930 -2.471 0.973) 7.422 8.921 ( 13.323 6.303 -1.101) 14.780 9.454 ( -1.984 7.254 -1.324) 7.636 10.323 ( 0.302 -8.980 -4.920) 10.244 10.591 ( -16.390 10.019 3.498) 19.526 11.515 ( -4.394 2.779 1.288) 5.356 14.619 ( 4.300 -9.234 -1.222) 10.259 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( -6.524 4.935 -1.953) 8.410 2.920 ( 0.022 0.627 -0.128) 0.640 3.330 ( 3.624 4.652 -3.287) 6.752 3.889 ( 0.176 -3.297 3.308) 4.673 4.229 ( -10.980 17.227 -0.242) 20.430 5.797 ( 3.490 -6.666 0.746) 7.561 9.111 ( 3.189 -5.944 -1.777) 6.976 9.458 ( -0.145 6.924 1.829) 7.163 10.263 ( 0.827 -4.995 -4.936) 7.071 10.506 ( -8.526 17.951 5.644) 20.658 11.478 ( -5.423 5.433 -2.352) 8.028 14.628 ( 7.294 -9.381 1.450) 11.971 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -7.580 -1.515 -3.406) 8.447 2.884 ( -8.027 5.637 -0.628) 9.828 3.480 ( 8.932 3.303 0.691) 9.548 3.848 ( -1.685 -4.049 2.569) 5.083 4.148 ( -15.974 13.468 -1.368) 20.938 5.742 ( -1.929 -7.475 0.462) 7.733 8.942 ( -8.074 -10.341 0.499) 13.129 9.520 ( -5.814 3.797 2.967) 7.552 10.316 ( 10.773 3.969 -4.915) 12.489 10.634 ( -1.390 16.795 5.666) 17.780 11.420 ( -3.617 1.814 -4.937) 6.383 14.689 ( 8.323 -7.032 3.275) 11.378 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -8.267 -2.383 -2.669) 9.008 2.755 ( -12.333 4.455 -0.557) 13.125 3.680 ( 10.118 1.121 3.998) 10.937 3.764 ( -6.170 -0.844 1.025) 6.311 3.948 ( -17.330 6.518 -3.162) 18.783 5.581 ( -9.455 -5.882 0.143) 11.136 8.717 ( -7.661 -6.998 2.358) 10.641 9.337 ( -16.976 0.651 1.575) 17.062 10.629 ( 14.947 7.242 -3.526) 16.980 10.773 ( 1.784 10.713 5.774) 12.300 11.400 ( 4.485 -1.759 -6.362) 7.980 14.791 ( 8.271 -3.492 3.688) 9.706 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -9.959 -1.586 -1.332) 10.172 2.558 ( -13.761 1.760 -0.208) 13.875 3.582 ( -20.190 4.713 1.560) 20.791 3.669 ( -9.718 -3.377 0.816) 10.321 3.908 ( 10.361 0.971 -1.244) 10.480 5.296 ( -18.549 -3.341 -0.091) 18.848 8.568 ( -4.911 -2.723 1.979) 5.954 9.006 ( -21.119 -0.272 0.754) 21.134 10.698 ( -6.056 5.005 -0.341) 7.864 11.150 ( 25.741 3.176 4.629) 26.346 11.500 ( 10.062 -1.173 -7.030) 12.331 14.919 ( 7.713 -0.745 2.501) 8.143 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -13.397 -0.000 0.000) 13.397 2.329 ( -13.641 -0.000 0.000) 13.641 3.227 ( -22.154 -0.000 0.000) 22.154 3.469 ( -12.764 -0.000 0.000) 12.764 4.086 ( 9.360 0.000 -0.000) 9.360 4.880 ( -27.722 -0.000 0.000) 27.722 8.462 ( -10.489 -0.000 0.000) 10.489 8.679 ( -12.314 -0.000 0.000) 12.314 10.638 ( -2.616 -0.000 0.000) 2.616 11.639 ( 8.159 0.000 -0.000) 8.159 11.661 ( 29.866 0.000 -0.000) 29.866 15.043 ( 6.445 0.000 -0.000) 6.445 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 0.000 14.182 10.828) 17.843 1.999 ( 0.000 12.170 3.511) 12.667 2.616 ( 0.000 13.368 -1.802) 13.489 3.138 ( 0.000 19.600 1.133) 19.633 3.959 ( 0.000 19.459 -8.399) 21.194 4.368 ( 0.000 14.844 3.005) 15.145 8.048 ( 0.000 19.906 1.343) 19.951 8.817 ( 0.000 -4.229 4.609) 6.255 10.598 ( -0.000 -6.607 -1.177) 6.711 11.303 ( -0.000 -7.676 -29.882) 30.852 12.607 ( 0.000 -27.765 17.382) 32.757 15.168 ( -0.000 1.683 -4.685) 4.979 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 1.261 12.055 8.436) 14.767 2.158 ( 4.550 9.204 3.004) 10.698 2.823 ( 8.491 14.589 -1.220) 16.924 3.321 ( 1.011 14.508 -2.210) 14.710 4.031 ( 0.392 1.922 -7.281) 7.541 4.645 ( 3.822 28.682 4.235) 29.244 8.295 ( 5.057 20.032 1.340) 20.704 8.773 ( -4.221 0.491 2.656) 5.011 10.540 ( 0.915 -4.432 -0.942) 4.622 11.114 ( 0.177 -12.902 -27.037) 29.958 12.369 ( -2.765 -25.940 16.594) 30.917 15.141 ( -3.439 0.863 -4.243) 5.529 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 3.192 9.532 7.023) 12.263 2.350 ( 7.042 8.200 2.105) 11.012 3.169 ( 13.790 15.793 -0.914) 20.986 3.423 ( -0.019 6.685 -7.549) 10.084 4.024 ( -0.248 0.459 -1.090) 1.208 5.019 ( 6.013 25.294 2.959) 26.166 8.573 ( 1.633 13.035 1.624) 13.237 8.752 ( 0.758 11.545 -0.153) 11.570 10.562 ( 5.167 -0.697 -0.372) 5.227 10.894 ( -0.947 -14.991 -21.732) 26.418 12.101 ( -4.876 -24.200 14.323) 28.541 15.038 ( -7.228 -0.387 -4.533) 8.541 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 4.499 6.618 6.400) 10.247 2.575 ( 8.242 9.321 1.096) 12.491 3.411 ( -1.145 -0.530 -11.247) 11.317 3.571 ( 13.468 16.868 -1.421) 21.632 4.037 ( 0.044 1.847 4.476) 4.842 5.340 ( 5.392 17.136 1.889) 18.063 8.594 ( -4.035 7.512 -0.758) 8.561 9.056 ( 9.354 19.304 1.509) 21.504 10.635 ( 0.050 -14.187 -13.150) 19.344 10.714 ( 4.874 3.529 -3.566) 6.995 11.820 ( -5.553 -21.460 11.390) 24.922 14.866 ( -9.156 -2.219 -4.866) 10.604 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 5.578 4.627 5.607) 9.164 2.808 ( 6.597 10.456 0.266) 12.366 3.328 ( -1.174 -3.872 -11.384) 12.081 3.874 ( 2.934 9.938 -0.269) 10.366 4.135 ( 6.164 9.385 4.975) 12.282 5.544 ( 3.658 7.518 1.177) 8.443 8.653 ( 1.609 9.515 0.038) 9.650 9.375 ( 6.119 15.543 1.280) 16.753 10.398 ( -3.221 -14.670 -11.888) 19.155 10.884 ( 2.704 10.438 -0.178) 10.784 11.586 ( -2.347 -15.518 8.140) 17.680 14.668 ( -7.610 -4.937 -4.498) 10.125 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 6.445 3.402 4.524) 8.578 2.965 ( -0.617 7.681 -1.445) 7.840 3.267 ( 2.155 -0.574 -9.031) 9.302 3.900 ( -2.379 -1.185 3.651) 4.516 4.406 ( 3.802 19.613 1.084) 20.008 5.629 ( 3.212 -2.213 0.869) 3.996 8.830 ( 6.823 9.540 1.455) 11.819 9.547 ( -0.446 7.930 -0.199) 7.945 10.197 ( -0.371 -12.165 -7.467) 14.279 10.940 ( -9.292 12.110 1.703) 15.359 11.528 ( 3.905 -3.618 3.288) 6.257 14.501 ( -2.442 -7.930 -2.956) 8.808 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 2.431 -0.894 0.032) 2.590 2.939 ( -2.711 4.620 -0.224) 5.361 3.339 ( 2.438 7.784 -5.869) 10.049 3.838 ( -1.033 -6.830 4.568) 8.281 4.597 ( -6.631 21.904 -0.229) 22.887 5.638 ( 4.927 -9.361 0.807) 10.610 9.023 ( 4.600 3.514 0.985) 5.871 9.547 ( -3.121 4.186 0.434) 5.239 10.113 ( 4.386 -9.227 -4.831) 11.301 10.893 ( -11.364 16.131 3.908) 20.115 11.573 ( -0.703 2.333 -1.338) 2.779 14.426 ( 4.385 -9.037 -0.542) 10.059 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( -6.735 -2.213 -2.990) 7.694 3.026 ( 0.104 5.474 1.874) 5.787 3.425 ( 1.175 6.732 -3.731) 7.786 3.781 ( 2.039 -8.068 3.786) 9.142 4.590 ( -16.522 16.856 -0.624) 23.611 5.633 ( 5.083 -9.347 0.611) 10.657 8.985 ( -6.411 -4.899 -0.479) 8.083 9.610 ( 0.853 6.036 3.134) 6.854 10.128 ( 8.617 -5.004 -4.174) 10.803 10.923 ( -6.892 18.502 5.343) 20.454 11.504 ( -6.964 -1.163 -4.613) 8.433 14.469 ( 9.277 -6.761 1.351) 11.558 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -7.630 -1.296 -1.538) 7.891 2.994 ( -9.629 3.693 0.104) 10.314 3.531 ( 7.753 1.622 -0.443) 7.934 3.765 ( 1.244 -3.623 1.453) 4.096 4.376 ( -21.464 7.452 -0.512) 22.726 5.614 ( -0.249 -4.387 0.241) 4.401 8.801 ( -8.323 -3.761 0.267) 9.137 9.581 ( -9.604 1.106 1.293) 9.753 10.333 ( 17.951 0.711 -1.636) 18.039 11.024 ( -6.066 16.671 6.203) 18.793 11.321 ( -4.108 -8.287 -6.529) 11.321 14.601 ( 10.606 -2.868 1.511) 11.090 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -8.414 -0.000 0.000) 8.414 2.804 ( -13.485 -0.000 0.000) 13.485 3.704 ( 10.612 0.000 -0.000) 10.612 3.739 ( -2.961 -0.000 0.000) 2.961 4.026 ( -22.553 -0.000 0.000) 22.553 5.517 ( -9.057 -0.000 0.000) 9.057 8.653 ( -6.648 -0.000 0.000) 6.648 9.346 ( -17.609 -0.000 0.000) 17.609 10.682 ( 19.652 0.000 -0.000) 19.652 10.956 ( -8.589 -0.000 0.000) 8.589 11.319 ( 8.434 0.000 -0.000) 8.434 14.767 ( 9.645 0.000 -0.000) 9.645 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 0.000 7.282 1.309) 7.398 2.214 ( 0.000 9.754 8.197) 12.741 2.878 ( 0.000 13.395 -1.058) 13.437 3.429 ( -0.000 9.878 -6.480) 11.814 4.026 ( -0.000 1.453 -2.991) 3.325 4.918 ( 0.000 29.265 3.589) 29.484 8.442 ( 0.000 18.672 -0.086) 18.672 8.842 ( 0.000 4.089 1.786) 4.462 10.488 ( -0.000 -3.712 -0.035) 3.713 10.879 ( -0.000 -16.559 -24.398) 29.487 12.188 ( -0.000 -24.890 14.011) 28.562 15.174 ( -0.000 1.409 -2.809) 3.142 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 4.609 6.618 0.792) 8.104 2.333 ( 1.472 7.097 6.909) 10.013 3.091 ( 9.857 12.616 -0.839) 16.032 3.457 ( -0.873 2.713 -11.169) 11.527 4.050 ( -0.280 3.749 2.164) 4.338 5.219 ( 1.732 25.343 2.825) 25.559 8.662 ( 4.521 15.685 -0.284) 16.326 8.867 ( -2.476 7.992 -1.606) 8.520 10.480 ( 2.379 -1.606 0.512) 2.916 10.664 ( 1.774 -16.361 -18.055) 24.429 11.963 ( -2.296 -23.850 10.868) 26.310 15.139 ( -4.875 1.151 -2.451) 5.576 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 2.382 5.655 5.939) 8.540 2.498 ( 9.093 6.003 0.547) 10.910 3.376 ( 1.737 -0.214 -10.208) 10.356 3.464 ( 12.677 10.679 -3.069) 16.857 4.089 ( -1.211 3.970 4.733) 6.296 5.475 ( 1.146 18.925 2.008) 19.065 8.756 ( -5.145 8.292 -2.182) 9.999 9.064 ( 10.371 15.966 -0.856) 19.058 10.450 ( 0.744 -13.836 -10.102) 17.147 10.603 ( 7.568 0.388 -1.537) 7.732 11.714 ( -3.428 -21.385 7.963) 23.075 15.012 ( -9.667 0.090 -2.837) 10.075 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 3.764 3.893 5.152) 7.475 2.737 ( 10.983 6.621 0.177) 12.826 3.287 ( -2.119 -3.843 -10.663) 11.531 3.858 ( 14.192 12.784 -1.785) 19.184 4.119 ( 1.126 2.326 5.722) 6.279 5.630 ( -1.492 11.219 1.284) 11.391 8.762 ( -2.541 9.392 -1.208) 9.804 9.397 ( 9.366 13.821 0.209) 16.697 10.270 ( -2.267 -12.821 -8.729) 15.675 10.810 ( 13.121 4.263 -0.125) 13.796 11.490 ( -2.844 -16.236 6.032) 17.552 14.801 ( -12.423 -1.779 -3.288) 12.973 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( 5.080 2.501 3.897) 6.873 2.982 ( 8.010 6.820 0.010) 10.520 3.191 ( -0.078 -3.217 -8.389) 8.985 3.980 ( -4.973 1.935 2.187) 5.767 4.387 ( 16.725 11.673 1.328) 20.439 5.648 ( -4.776 2.710 0.769) 5.545 8.861 ( 2.439 10.275 1.484) 10.664 9.613 ( 2.658 7.796 -0.258) 8.241 10.076 ( -3.027 -11.462 -6.496) 13.519 11.090 ( 8.595 9.623 -1.383) 12.977 11.368 ( 3.833 -9.936 5.481) 11.977 14.552 ( -11.312 -4.183 -3.066) 12.444 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 5.461 0.910 1.959) 5.873 3.020 ( -3.938 0.419 -2.122) 4.493 3.294 ( 9.694 5.544 -3.928) 11.838 3.870 ( -7.308 -3.137 3.125) 8.544 4.781 ( 11.011 16.645 -0.024) 19.957 5.534 ( -5.482 -7.034 0.599) 8.938 9.024 ( 3.406 7.805 2.706) 8.935 9.647 ( -3.644 3.672 -0.555) 5.203 9.935 ( 2.041 -10.363 -4.715) 11.567 11.183 ( -5.717 9.819 1.899) 11.520 11.499 ( 10.936 -0.909 0.647) 10.993 14.346 ( -5.013 -5.678 -1.751) 7.774 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( -3.070 -1.172 -1.190) 3.495 3.011 ( 3.568 1.639 0.955) 4.041 3.492 ( 5.131 9.240 -4.520) 11.495 3.705 ( -5.581 -8.358 4.241) 10.908 5.006 ( -10.075 18.420 -0.536) 21.002 5.402 ( 7.053 -13.950 0.653) 15.645 9.066 ( -4.870 0.591 0.592) 4.942 9.660 ( 0.452 5.740 2.149) 6.146 9.912 ( 7.256 -7.451 -3.703) 11.040 11.186 ( -5.232 8.903 2.844) 10.711 11.576 ( -2.116 -0.590 -2.013) 2.980 14.287 ( 4.426 -3.968 -0.137) 5.946 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( -6.671 -0.000 0.000) 6.671 3.091 ( 1.520 0.000 -0.000) 1.520 3.510 ( -4.914 -0.000 0.000) 4.914 3.680 ( 6.104 0.000 -0.000) 6.104 4.785 ( -20.971 -0.000 0.000) 20.971 5.514 ( 8.665 0.000 -0.000) 8.665 8.933 ( -8.847 -0.000 0.000) 8.847 9.692 ( -2.346 -0.000 0.000) 2.346 10.053 ( 13.816 0.000 -0.000) 13.816 11.188 ( -1.324 -0.000 0.000) 1.324 11.422 ( -12.667 -0.000 0.000) 12.667 14.402 ( 10.263 0.000 -0.000) 10.263 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 0.000 4.565 0.106) 4.566 2.409 ( 0.000 5.877 5.920) 8.342 3.114 ( 0.000 10.565 -0.620) 10.584 3.429 ( -0.000 -2.033 -13.164) 13.320 4.114 ( 0.000 6.014 4.249) 7.364 5.454 ( 0.000 22.325 2.419) 22.456 8.755 ( 0.000 13.057 -2.058) 13.219 8.956 ( -0.000 7.027 -5.642) 9.011 10.438 ( -0.000 -14.952 -10.785) 18.436 10.462 ( 0.000 0.719 1.650) 1.799 11.774 ( -0.000 -23.430 7.315) 24.546 15.194 ( -0.000 1.869 -1.281) 2.266 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 5.938 3.824 -0.026) 7.063 2.483 ( 0.921 4.328 4.877) 6.585 3.291 ( 7.591 6.449 -2.900) 10.374 3.363 ( 2.518 -1.473 -9.876) 10.298 4.176 ( -1.365 5.428 4.444) 7.147 5.659 ( -0.217 17.369 1.823) 17.466 8.882 ( -0.452 7.864 -4.255) 8.953 9.024 ( 6.218 8.670 -6.573) 12.531 10.296 ( 0.259 -10.130 -3.378) 10.682 10.512 ( 3.375 1.629 1.609) 4.078 11.558 ( -0.827 -21.211 4.312) 21.661 15.156 ( -6.197 1.571 -1.133) 6.493 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 2.268 2.834 4.354) 5.669 2.595 ( 10.609 3.726 -0.407) 11.252 3.250 ( -1.331 -3.732 -9.349) 10.154 3.653 ( 18.506 7.890 -0.926) 20.140 4.192 ( -3.268 3.122 3.970) 6.015 5.787 ( -2.374 11.530 1.242) 11.837 8.882 ( -2.754 6.224 -5.301) 8.627 9.301 ( 14.268 8.322 -2.986) 16.786 10.202 ( -2.426 -5.040 -0.780) 5.647 10.616 ( 8.485 -1.549 1.177) 8.705 11.379 ( 0.156 -14.461 2.518) 14.680 15.005 ( -11.968 0.482 -1.519) 12.073 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 3.461 1.729 2.876) 4.820 2.837 ( 13.132 3.413 -0.060) 13.568 3.165 ( -2.008 -2.769 -6.186) 7.069 4.053 ( 11.955 8.067 -1.903) 14.547 4.174 ( 4.757 -0.135 4.111) 6.289 5.801 ( -6.446 5.554 0.716) 8.538 8.921 ( 1.274 6.806 -1.636) 7.114 9.569 ( 9.232 3.590 -1.876) 10.081 10.083 ( -7.440 -2.416 -0.893) 7.874 10.818 ( 19.148 -3.861 -0.021) 19.534 11.305 ( 0.877 -4.338 2.230) 4.956 14.759 ( -15.383 -0.942 -1.715) 15.506 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 4.622 0.670 1.300) 4.848 3.067 ( 0.950 1.282 0.525) 1.679 3.120 ( 9.613 0.014 -3.563) 10.252 4.009 ( -8.649 0.296 1.073) 8.721 4.560 ( 23.427 4.654 0.198) 23.885 5.678 ( -11.475 0.419 0.304) 11.487 9.037 ( 4.252 5.332 1.051) 6.900 9.678 ( 3.357 0.142 -1.509) 3.683 9.902 ( -8.986 -3.333 -1.136) 9.651 11.174 ( 22.505 -0.255 -1.144) 22.536 11.309 ( -0.153 0.844 2.464) 2.609 14.478 ( -14.180 -1.682 -1.135) 14.325 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 4.163 0.000 -0.000) 4.163 3.015 ( -2.842 -0.000 0.000) 2.842 3.349 ( 12.636 0.000 -0.000) 12.636 3.843 ( -10.534 -0.000 0.000) 10.534 4.980 ( 21.314 0.000 -0.000) 21.314 5.432 ( -16.236 -0.000 0.000) 16.236 9.121 ( 0.613 0.000 -0.000) 0.613 9.741 ( -5.487 -0.000 0.000) 5.487 9.745 ( 4.970 0.000 -0.000) 4.970 11.296 ( -2.714 -0.000 0.000) 2.714 11.491 ( 12.359 0.000 -0.000) 12.359 14.280 ( -6.280 -0.000 0.000) 6.280 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 0.000 2.596 -0.274) 2.611 2.525 ( 0.000 2.998 3.663) 4.733 3.277 ( -0.000 -4.508 -10.370) 11.308 3.282 ( 0.000 6.604 -0.350) 6.613 4.254 ( 0.000 4.805 3.594) 6.000 5.821 ( 0.000 13.512 1.339) 13.578 8.930 ( 0.000 6.329 -2.710) 6.885 8.995 ( -0.000 2.087 -12.501) 12.674 10.230 ( 0.000 -3.349 3.933) 5.166 10.522 ( 0.000 3.362 2.251) 4.046 11.362 ( -0.000 -20.119 1.298) 20.161 15.228 ( 0.000 1.835 -0.382) 1.874 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 6.541 1.858 -0.146) 6.802 2.567 ( 1.000 1.912 2.527) 3.323 3.204 ( -0.475 -3.289 -7.136) 7.872 3.441 ( 11.761 4.450 -0.376) 12.581 4.284 ( -2.229 3.022 2.526) 4.525 5.925 ( -1.304 8.709 0.853) 8.847 8.936 ( -1.348 2.046 -7.719) 8.099 9.099 ( 12.188 2.815 -4.075) 13.156 10.236 ( -0.948 2.451 5.741) 6.314 10.544 ( -1.012 -0.700 0.997) 1.584 11.211 ( 3.150 -13.781 -0.137) 14.137 15.181 ( -7.162 1.193 -0.382) 7.271 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 2.181 0.837 1.724) 2.903 2.641 ( 11.509 1.255 -0.391) 11.584 3.153 ( -0.867 -1.620 -3.450) 3.908 3.755 ( 20.221 2.718 -0.340) 20.406 4.250 ( -4.745 1.027 1.423) 5.059 5.945 ( -4.107 3.867 0.422) 5.657 8.934 ( 1.091 1.943 -3.334) 4.011 9.367 ( 15.493 1.157 -1.562) 15.614 10.247 ( -7.562 6.328 3.423) 10.438 10.510 ( 7.540 -8.112 -0.897) 11.111 11.211 ( 5.748 -3.578 0.298) 6.777 15.008 ( -13.393 0.272 -0.476) 13.404 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 3.323 0.000 -0.000) 3.323 2.871 ( 14.075 0.000 -0.000) 14.075 3.117 ( -1.958 -0.000 0.000) 1.958 4.153 ( -7.199 -0.000 0.000) 7.199 4.159 ( 24.471 0.000 -0.000) 24.471 5.859 ( -8.240 -0.000 0.000) 8.240 8.987 ( 3.990 0.000 -0.000) 3.990 9.578 ( 8.250 0.000 -0.000) 8.250 10.086 ( -12.398 -0.000 0.000) 12.398 10.751 ( 22.753 0.000 -0.000) 22.753 11.286 ( 3.718 0.000 -0.000) 3.718 14.744 ( -16.601 -0.000 0.000) 16.601 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 0.000 0.848 -0.150) 0.861 2.578 ( 0.000 0.903 1.251) 1.543 3.164 ( -0.000 -2.000 -3.847) 4.336 3.368 ( 0.000 2.237 -0.116) 2.239 4.334 ( 0.000 1.651 1.255) 2.073 6.004 ( 0.000 4.479 0.396) 4.497 8.934 ( -0.000 -0.699 -6.256) 6.295 8.992 ( -0.000 1.699 -1.205) 2.083 10.289 ( 0.000 3.195 4.820) 5.782 10.590 ( 0.000 1.789 1.005) 2.052 11.041 ( -0.000 -10.145 -1.349) 10.234 15.254 ( 0.000 0.779 -0.052) 0.780 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 6.759 0.000 -0.000) 6.759 2.593 ( 1.037 0.000 -0.000) 1.037 3.147 ( -0.149 -0.000 0.000) 0.149 3.484 ( 11.908 0.000 -0.000) 11.908 4.322 ( -2.525 -0.000 0.000) 2.525 6.014 ( -1.622 -0.000 0.000) 1.622 8.922 ( 0.328 0.000 -0.000) 0.328 9.113 ( 12.433 0.000 -0.000) 12.433 10.339 ( 3.142 0.000 -0.000) 3.142 10.497 ( -10.067 -0.000 0.000) 10.067 11.067 ( 7.460 0.000 -0.000) 7.460 15.193 ( -7.518 -0.000 0.000) 7.518 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.207 ( 0.000 -0.000 22.594) 22.594 0.207 ( 0.000 -0.000 22.594) 22.594 0.437 ( 0.000 -0.000 47.928) 47.928 2.121 ( -0.000 0.000 -1.360) 1.360 2.121 ( -0.000 0.000 -1.360) 1.360 5.230 ( -0.000 0.000 -4.606) 4.606 7.133 ( 0.000 -0.000 1.013) 1.013 7.133 ( 0.000 -0.000 1.013) 1.013 11.020 ( -0.000 0.000 -0.564) 0.564 11.020 ( 0.000 0.000 -0.564) 0.564 14.391 ( 0.000 -0.000 0.433) 0.433 14.576 ( -0.000 0.000 -0.210) 0.210 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 22.033 12.721 6.950) 26.374 0.625 ( 13.441 7.760 24.509) 29.010 1.147 ( 39.921 23.049 16.755) 49.048 2.147 ( 2.700 1.559 -1.872) 3.637 2.272 ( 12.243 7.069 -1.874) 14.261 4.494 ( -8.005 -4.622 8.741) 12.721 7.195 ( 5.039 2.909 1.284) 5.958 9.412 ( 25.546 14.749 -50.699) 58.656 10.957 ( 7.228 4.173 -22.874) 24.349 10.987 ( -2.740 -1.582 -0.565) 3.214 14.168 ( -17.615 -10.170 7.001) 21.511 14.877 ( 13.236 7.642 -12.460) 19.719 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 15.298 8.833 15.926) 23.784 1.118 ( 21.584 12.462 3.439) 25.159 2.066 ( 34.470 19.901 10.839) 41.252 2.233 ( 5.472 3.159 -2.260) 6.711 2.674 ( 23.914 13.807 -1.796) 27.672 4.397 ( -3.118 -1.800 -1.241) 3.808 7.369 ( 9.808 5.663 1.212) 11.390 9.309 ( -15.652 -9.036 -1.090) 18.106 10.897 ( -4.838 -2.793 -0.486) 5.607 11.184 ( 16.146 9.322 -33.737) 38.546 13.740 ( -21.761 -12.564 12.872) 28.233 15.047 ( 4.997 2.885 -9.969) 11.519 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 16.010 9.243 9.742) 20.896 1.582 ( 17.856 10.309 2.317) 20.748 2.385 ( 8.501 4.908 -2.369) 10.098 2.723 ( 21.584 12.461 6.451) 25.744 3.358 ( 34.149 19.716 -0.978) 39.444 4.323 ( -2.704 -1.561 -3.531) 4.714 7.645 ( 13.885 8.016 0.684) 16.047 8.915 ( -16.726 -9.657 0.601) 19.323 10.773 ( -5.738 -3.313 -0.240) 6.630 11.395 ( 9.580 5.531 -27.957) 30.066 13.271 ( -23.166 -13.375 18.739) 32.661 15.061 ( -0.510 -0.295 -10.585) 10.602 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 15.743 9.089 6.397) 19.271 1.934 ( 12.404 7.161 1.443) 14.395 2.607 ( 11.275 6.510 -1.935) 13.162 3.154 ( 15.508 8.954 2.787) 18.123 4.049 ( 17.751 10.248 -8.951) 22.366 4.325 ( 11.220 6.478 4.662) 13.768 7.996 ( 16.426 9.484 -0.248) 18.969 8.601 ( -9.631 -5.561 -3.541) 11.671 10.644 ( -5.296 -3.058 0.253) 6.121 11.430 ( 0.199 0.115 -23.566) 23.567 12.799 ( -23.675 -13.669 22.529) 35.424 14.987 ( -2.476 -1.430 -10.770) 11.143 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 7.978 4.606 0.578) 9.231 2.168 ( 14.444 8.339 5.259) 17.488 2.870 ( 11.582 6.687 -1.199) 13.428 3.449 ( 9.994 5.770 -2.833) 11.883 4.075 ( -2.733 -1.578 -4.504) 5.499 4.879 ( 25.230 14.567 3.578) 29.352 8.376 ( 16.530 9.544 -1.388) 19.138 8.476 ( 0.381 0.220 -7.010) 7.024 10.541 ( -3.768 -2.176 1.001) 4.465 11.271 ( -7.954 -4.592 -18.893) 21.008 12.315 ( -24.574 -14.188 20.656) 35.097 14.912 ( -1.031 -0.595 -8.603) 8.685 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 5.190 2.997 0.043) 5.993 2.493 ( 12.542 7.241 5.205) 15.389 3.110 ( 9.329 5.386 -0.659) 10.792 3.566 ( 1.501 0.867 -11.596) 11.725 4.027 ( -0.404 -0.233 4.265) 4.290 5.394 ( 18.781 10.843 2.042) 21.782 8.577 ( 10.306 5.950 -8.723) 14.755 8.723 ( 13.875 8.011 -2.377) 16.197 10.481 ( -1.826 -1.054 1.808) 2.778 10.976 ( -13.609 -7.857 -11.236) 19.318 11.805 ( -23.849 -13.769 13.025) 30.463 14.895 ( 1.253 0.723 -4.824) 5.036 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 3.050 1.761 -0.198) 3.527 2.773 ( 10.565 6.100 5.102) 13.224 3.283 ( 5.894 3.403 -0.343) 6.814 3.468 ( -5.383 -3.108 -13.102) 14.501 4.074 ( 2.129 1.229 5.721) 6.226 5.746 ( 11.551 6.669 1.271) 13.398 8.880 ( 18.165 10.488 -9.197) 22.903 8.981 ( 9.180 5.300 -2.684) 10.935 10.463 ( -0.485 -0.280 2.199) 2.269 10.575 ( -20.123 -11.618 -0.885) 23.253 11.359 ( -15.904 -9.182 3.458) 18.687 14.928 ( 2.058 1.188 -1.317) 2.717 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 1.047 0.604 -0.267) 1.238 2.979 ( 4.405 2.543 1.870) 5.419 3.317 ( -2.264 -1.307 -7.764) 8.193 3.374 ( 2.046 1.181 -0.141) 2.366 4.121 ( 0.309 0.178 3.394) 3.413 5.926 ( 3.815 2.203 0.816) 4.480 9.121 ( 3.687 2.129 -1.942) 4.680 9.328 ( 22.546 13.017 -9.512) 27.717 10.069 ( -23.329 -13.469 6.136) 27.628 10.461 ( -0.419 -0.242 1.743) 1.808 11.133 ( -4.415 -2.549 -0.680) 5.144 14.968 ( 1.236 0.714 1.280) 1.917 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -0.956 -0.552 -0.236) 1.129 2.901 ( -7.955 -4.593 -6.212) 11.090 3.375 ( -1.889 -1.091 0.024) 2.182 3.419 ( 9.275 5.355 2.557) 11.011 4.097 ( -3.091 -1.784 1.133) 3.744 5.923 ( -4.260 -2.460 0.512) 4.946 9.136 ( -2.140 -1.236 -0.405) 2.504 9.472 ( -18.749 -10.825 5.237) 22.274 9.952 ( 22.696 13.103 -5.865) 26.855 10.450 ( -0.837 -0.483 0.563) 1.118 11.136 ( 4.365 2.520 -0.291) 5.048 14.988 ( -0.056 -0.032 3.370) 3.371 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -3.008 -1.737 -0.137) 3.477 2.670 ( -10.122 -5.844 -6.019) 13.147 3.289 ( -5.693 -3.287 0.202) 6.577 3.658 ( 9.516 5.494 6.101) 12.568 3.990 ( -5.885 -3.397 -2.123) 7.119 5.736 ( -12.131 -7.004 0.230) 14.010 9.017 ( -8.392 -4.845 1.115) 9.755 9.053 ( -17.599 -10.161 9.352) 22.370 10.435 ( -0.130 -0.075 -0.681) 0.698 10.524 ( 26.839 15.495 -6.924) 31.755 11.308 ( 10.350 5.975 -1.535) 12.049 14.993 ( -0.461 -0.266 5.417) 5.443 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -5.258 -3.036 0.034) 6.072 2.406 ( -11.733 -6.774 -4.190) 14.181 3.120 ( -9.032 -5.214 0.415) 10.437 3.747 ( -8.696 -5.020 7.366) 12.453 3.945 ( 7.693 4.441 -4.190) 9.821 5.372 ( -19.684 -11.365 -0.177) 22.730 8.752 ( -11.035 -6.371 9.930) 16.155 8.763 ( -14.024 -8.096 1.838) 16.297 10.451 ( 1.949 1.125 -1.320) 2.609 11.109 ( 24.911 14.382 -0.075) 28.764 11.569 ( 13.286 7.670 -9.164) 17.870 15.011 ( 0.637 0.368 7.243) 7.280 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -14.003 -8.084 -1.737) 16.262 2.165 ( -8.202 -4.735 0.356) 9.477 2.887 ( -11.166 -6.447 0.624) 12.909 3.485 ( -14.065 -8.121 1.318) 16.295 4.128 ( 7.337 4.236 0.605) 8.493 4.836 ( -27.022 -15.601 -0.698) 31.210 8.405 ( -17.227 -9.946 1.700) 19.965 8.620 ( -2.701 -1.559 8.302) 8.869 10.519 ( 4.244 2.450 -1.317) 5.075 11.607 ( 13.193 7.617 17.802) 23.431 11.880 ( 21.269 12.280 -26.601) 36.205 15.069 ( 2.270 1.311 7.818) 8.246 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -16.523 -9.540 0.849) 19.098 1.931 ( -12.694 -7.329 1.063) 14.697 2.631 ( -10.900 -6.293 0.633) 12.602 3.120 ( -17.975 -10.378 -0.716) 20.768 4.142 ( -32.965 -19.033 -1.572) 38.098 4.270 ( 4.757 2.746 1.406) 5.670 8.010 ( -17.238 -9.952 1.159) 19.938 8.681 ( 6.178 3.567 4.962) 8.690 10.632 ( 5.787 3.341 -1.045) 6.763 11.781 ( 0.466 0.269 9.872) 9.886 12.403 ( 27.769 16.032 -15.880) 35.782 15.148 ( 2.323 1.341 6.212) 6.766 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -18.604 -10.741 3.486) 21.763 1.583 ( -18.159 -10.484 2.365) 21.101 2.410 ( -8.367 -4.831 0.282) 9.666 2.644 ( -24.139 -13.937 -1.736) 27.928 3.356 ( -33.857 -19.547 -1.139) 39.111 4.357 ( 2.741 1.583 0.256) 3.176 7.645 ( -14.529 -8.388 0.663) 16.789 8.922 ( 13.736 7.930 1.268) 15.911 10.767 ( 6.113 3.529 -0.780) 7.102 11.734 ( -6.198 -3.578 4.446) 8.425 13.002 ( 27.193 15.700 -6.665) 32.099 15.190 ( -0.350 -0.202 2.725) 2.754 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -19.610 -11.322 7.813) 23.953 1.127 ( -22.267 -12.856 4.323) 26.073 1.951 ( -36.501 -21.074 -1.200) 42.165 2.252 ( -5.480 -3.164 -0.242) 6.332 2.681 ( -23.445 -13.536 -0.879) 27.087 4.403 ( 1.455 0.840 -0.155) 1.687 7.362 ( -10.153 -5.862 0.478) 11.734 9.294 ( 18.153 10.481 -2.714) 21.136 10.896 ( 5.089 2.938 -0.619) 5.909 11.529 ( -12.004 -6.931 -1.813) 13.979 13.591 ( 24.902 14.377 -0.367) 28.757 15.132 ( -5.019 -2.898 -1.924) 6.107 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 0.000 24.715 12.972) 27.912 0.741 ( 0.000 18.950 22.721) 29.586 1.131 ( 0.000 40.808 19.566) 45.257 2.143 ( -0.000 3.238 -2.195) 3.912 2.260 ( 0.000 13.941 -2.599) 14.182 4.518 ( 0.000 -12.298 8.403) 14.895 7.199 ( 0.000 5.889 1.555) 6.091 9.193 ( -0.000 41.081 -53.918) 67.785 10.980 ( -0.000 -3.439 -1.051) 3.596 10.994 ( -0.000 10.700 -18.289) 21.190 14.171 ( -0.000 -21.803 6.639) 22.791 14.826 ( -0.000 15.576 -12.077) 19.710 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 5.318 16.866 19.919) 26.637 1.079 ( 8.347 23.117 9.448) 26.331 1.837 ( 24.359 33.846 12.590) 43.559 2.202 ( 2.827 5.326 -2.593) 6.564 2.522 ( 11.956 19.681 -2.691) 23.185 4.417 ( -2.527 -4.514 -0.347) 5.185 7.319 ( 4.879 8.770 1.730) 10.184 9.329 ( 0.295 -7.185 -9.829) 12.179 10.885 ( -2.764 -3.223 -5.596) 7.024 11.095 ( 2.725 17.914 -27.453) 32.894 13.871 ( -9.913 -23.328 10.765) 27.538 14.979 ( 4.689 8.323 -11.040) 14.599 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 9.556 14.034 15.287) 22.846 1.491 ( 11.380 19.629 4.814) 23.194 2.331 ( 5.395 8.365 -2.774) 10.333 2.536 ( 20.229 19.695 8.234) 29.410 3.065 ( 25.198 26.635 -1.811) 36.710 4.335 ( -2.304 -2.496 -4.071) 5.302 7.547 ( 9.237 11.469 1.576) 14.810 9.069 ( -12.940 -14.010 1.894) 19.165 10.789 ( -2.117 -5.622 -2.338) 6.447 11.251 ( 5.990 13.154 -29.948) 33.254 13.473 ( -14.353 -22.249 16.020) 30.946 15.044 ( 0.191 3.036 -10.888) 11.305 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 11.664 12.565 9.981) 19.838 1.856 ( 9.721 14.208 3.169) 17.504 2.536 ( 7.675 12.011 -2.402) 14.455 3.004 ( 15.057 12.152 4.173) 19.794 3.784 ( 25.968 22.225 -4.436) 34.467 4.284 ( 0.905 1.000 -1.300) 1.873 7.864 ( 12.452 13.629 1.011) 18.489 8.720 ( -12.719 -9.123 -0.734) 15.669 10.688 ( -3.381 -4.119 -0.618) 5.365 11.331 ( 3.077 3.021 -25.943) 26.299 13.046 ( -16.887 -20.732 20.197) 33.510 14.995 ( -3.169 0.302 -11.111) 11.558 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 12.479 10.778 6.928) 17.885 2.120 ( 6.411 10.053 1.777) 12.055 2.804 ( 8.381 14.373 -1.587) 16.714 3.330 ( 10.747 7.443 -0.433) 13.080 4.062 ( 0.900 -0.097 -8.283) 8.332 4.634 ( 22.881 18.078 4.895) 29.569 8.232 ( 13.359 13.970 0.082) 19.329 8.495 ( -5.105 -1.789 -4.539) 7.062 10.595 ( -3.935 -1.457 0.315) 4.208 11.251 ( -2.751 -4.722 -21.495) 22.179 12.600 ( -19.632 -19.160 20.293) 34.122 14.905 ( -2.595 -0.754 -9.619) 9.991 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 3.676 8.076 0.727) 8.903 2.372 ( 12.092 8.613 5.707) 15.905 3.076 ( 6.524 14.537 -0.997) 15.965 3.498 ( 4.266 2.184 -8.572) 9.821 4.034 ( -0.143 -0.886 0.655) 1.111 5.187 ( 20.049 14.071 2.792) 24.652 8.452 ( 5.816 2.741 -5.874) 8.709 8.624 ( 10.918 15.321 -2.010) 18.920 10.529 ( -3.552 0.467 1.098) 3.747 11.034 ( -7.628 -8.584 -15.581) 19.356 12.111 ( -22.729 -16.694 15.202) 32.037 14.853 ( 0.766 -1.287 -6.033) 6.216 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 1.398 7.044 0.130) 7.182 2.662 ( 11.033 6.523 5.126) 13.804 3.295 ( 3.022 13.229 -0.925) 13.602 3.470 ( -2.669 -2.046 -13.329) 13.746 4.062 ( 1.995 0.178 5.842) 6.175 5.602 ( 14.295 8.556 1.818) 16.758 8.652 ( 14.244 6.836 -7.051) 17.302 8.932 ( 7.806 14.173 -2.727) 16.409 10.484 ( -2.709 -0.316 1.857) 3.299 10.738 ( -12.235 -10.010 -7.285) 17.406 11.616 ( -21.512 -10.390 7.270) 24.971 14.865 ( 3.639 -2.153 -2.098) 4.720 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -0.766 6.112 -0.197) 6.163 2.903 ( 8.514 3.844 3.727) 10.058 3.323 ( -3.887 -2.827 -11.751) 12.696 3.443 ( -1.689 12.101 -0.461) 12.227 4.112 ( 1.608 -0.828 4.978) 5.296 5.855 ( 7.807 3.283 1.272) 8.564 9.010 ( 19.442 8.356 -6.218) 22.056 9.146 ( 4.008 11.612 -4.495) 13.080 10.320 ( -17.986 -11.335 4.402) 21.711 10.475 ( -2.334 -2.137 -0.544) 3.211 11.276 ( -12.669 0.077 0.596) 12.683 14.908 ( 4.398 -3.289 0.939) 5.571 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -2.841 4.893 -0.348) 5.669 2.950 ( -4.349 -3.758 -4.709) 7.431 3.319 ( 7.396 3.894 -1.894) 8.571 3.491 ( -5.721 10.201 -0.094) 11.696 4.115 ( -0.903 -2.807 3.112) 4.287 5.939 ( 0.462 -1.529 0.930) 1.848 9.200 ( -2.793 5.873 -1.318) 6.636 9.435 ( 16.079 0.259 -7.384) 17.695 9.929 ( -13.399 -0.158 5.776) 14.592 10.453 ( 0.730 -1.283 0.717) 1.641 11.174 ( -3.786 6.327 -1.057) 7.448 14.947 ( 3.594 -4.131 3.144) 6.314 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -4.744 3.247 -0.393) 5.762 2.759 ( -8.886 -5.116 -6.283) 12.025 3.447 ( -9.708 7.690 0.083) 12.385 3.541 ( 11.220 5.204 1.673) 12.481 4.040 ( -4.334 -4.621 1.410) 6.490 5.846 ( -7.443 -5.548 0.693) 9.309 9.107 ( -8.572 -5.410 1.052) 10.192 9.303 ( -15.068 -5.438 5.153) 16.828 10.175 ( 21.407 12.228 -5.753) 25.315 10.479 ( 1.555 4.085 -0.129) 4.373 11.243 ( 3.954 7.353 -1.185) 8.433 14.971 ( 2.617 -4.036 4.942) 6.897 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -6.477 1.030 -0.443) 6.573 2.526 ( -10.676 -4.673 -4.449) 12.474 3.312 ( -13.209 4.906 0.325) 14.095 3.785 ( 9.428 3.605 5.620) 11.553 3.888 ( -6.345 -4.919 -3.340) 8.695 5.580 ( -15.545 -8.657 0.453) 17.799 8.852 ( -10.363 -10.559 5.954) 15.948 9.022 ( -16.904 -0.963 3.882) 17.371 10.438 ( 2.309 2.908 -1.098) 3.872 10.798 ( 24.459 14.549 -6.056) 29.096 11.426 ( 9.354 6.166 -2.883) 11.568 14.996 ( 2.559 -2.706 6.356) 7.367 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -11.200 -5.498 -1.999) 12.636 2.297 ( -10.276 -0.200 -0.089) 10.279 3.099 ( -15.660 2.172 0.496) 15.817 3.645 ( -12.205 -6.837 1.769) 14.101 4.019 ( 9.746 3.598 -0.696) 10.413 5.145 ( -23.854 -11.083 0.198) 26.304 8.606 ( -12.329 -7.297 3.782) 14.817 8.733 ( -12.783 -2.893 6.041) 14.432 10.493 ( 1.587 3.960 -1.228) 4.440 11.376 ( 27.415 12.455 -0.707) 30.120 11.634 ( 10.345 4.089 -8.822) 14.197 15.050 ( 3.319 -0.730 6.709) 7.521 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -15.540 -6.226 0.636) 16.753 2.106 ( -12.113 -1.687 0.799) 12.256 2.834 ( -16.132 0.142 0.441) 16.139 3.332 ( -16.440 -7.226 0.274) 17.960 4.191 ( 6.910 2.294 -1.511) 7.436 4.549 ( -31.655 -12.648 0.838) 34.099 8.252 ( -19.616 -6.386 1.436) 20.680 8.649 ( 1.177 -0.336 5.803) 5.931 10.572 ( 3.872 3.365 -1.241) 5.278 11.759 ( 4.841 0.257 2.399) 5.409 11.997 ( 30.182 12.112 -10.206) 34.085 15.128 ( 3.454 0.519 5.170) 6.239 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -18.716 -6.645 3.639) 20.192 1.838 ( -17.139 -3.041 1.899) 17.510 2.571 ( -13.744 -0.725 0.005) 13.763 2.937 ( -21.642 -7.047 -0.112) 22.761 3.815 ( -37.161 -11.886 -1.892) 39.061 4.312 ( 4.159 0.966 0.349) 4.284 7.864 ( -18.532 -5.377 1.009) 19.322 8.775 ( 10.072 2.910 2.814) 10.855 10.681 ( 5.951 1.976 -1.023) 6.354 11.778 ( -1.250 -1.753 -4.224) 4.741 12.616 ( 30.434 10.346 -0.944) 32.158 15.190 ( 1.524 0.219 1.770) 2.346 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -20.748 -6.279 7.383) 22.900 1.469 ( -22.868 -3.347 3.178) 23.329 2.361 ( -9.714 -0.739 -0.655) 9.764 2.429 ( -31.530 -5.779 1.200) 32.077 3.075 ( -34.813 -7.275 -1.138) 35.583 4.374 ( 2.577 0.422 -0.973) 2.786 7.535 ( -14.863 -3.068 0.809) 15.198 9.053 ( 17.135 3.948 0.437) 17.589 10.801 ( 6.704 0.622 -0.875) 6.789 11.649 ( -8.700 -3.324 -9.789) 13.512 13.227 ( 29.527 7.551 4.290) 30.777 15.179 ( -2.590 -0.812 -2.640) 3.786 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 0.000 17.051 20.960) 27.019 1.258 ( 0.000 23.138 9.469) 25.001 2.037 ( 0.000 38.460 10.850) 39.961 2.223 ( 0.000 6.476 -3.040) 7.154 2.644 ( 0.000 27.123 -3.178) 27.308 4.386 ( -0.000 -4.621 -2.365) 5.191 7.385 ( 0.000 11.797 1.928) 11.954 9.222 ( -0.000 -8.608 -4.670) 9.793 10.877 ( -0.000 -6.052 -1.410) 6.214 11.163 ( -0.000 17.791 -31.406) 36.095 13.720 ( -0.000 -28.106 11.573) 30.396 14.999 ( -0.000 9.257 -10.713) 14.158 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 1.805 16.681 17.339) 24.127 1.568 ( 6.120 20.215 7.564) 22.434 2.326 ( 4.312 9.191 -3.155) 10.631 2.514 ( 10.872 26.216 7.743) 29.418 3.040 ( 11.780 33.952 -2.566) 36.029 4.325 ( -1.211 -2.960 -4.608) 5.609 7.563 ( 4.697 14.521 2.063) 15.400 9.079 ( -4.420 -13.858 2.686) 14.791 10.769 ( -3.221 -5.554 -3.049) 7.108 11.237 ( 1.536 12.092 -30.201) 32.568 13.430 ( -5.288 -28.046 14.795) 32.147 15.051 ( 0.120 5.535 -10.349) 11.737 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 5.436 14.848 12.999) 20.469 1.884 ( 6.896 16.065 5.229) 18.247 2.534 ( 7.500 13.829 -2.595) 15.944 2.927 ( 10.952 16.249 3.936) 19.986 3.637 ( 18.480 29.402 -3.988) 34.956 4.280 ( 0.104 0.975 -2.830) 2.995 7.841 ( 8.641 16.925 2.159) 19.126 8.825 ( -10.304 -10.902 1.870) 15.116 10.673 ( -1.048 -4.496 -2.271) 5.145 11.252 ( 0.937 3.386 -27.065) 27.292 13.087 ( -8.856 -26.393 17.968) 33.134 15.032 ( -3.221 2.219 -10.330) 11.046 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 8.058 12.581 9.230) 17.561 2.143 ( 5.422 12.326 3.429) 13.895 2.826 ( 8.248 17.956 -1.712) 19.834 3.237 ( 9.331 9.614 -0.016) 13.398 4.004 ( 4.368 4.184 -9.598) 11.345 4.504 ( 15.743 19.904 4.806) 25.829 8.191 ( 10.423 17.844 2.019) 20.764 8.578 ( -8.375 -3.591 -1.813) 9.291 10.626 ( -0.781 -1.421 -0.687) 1.761 11.164 ( -1.214 -4.988 -23.318) 23.876 12.714 ( -11.978 -24.282 18.736) 32.926 14.937 ( -4.939 0.081 -9.691) 10.877 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 9.108 9.397 7.319) 14.994 2.342 ( 3.744 11.422 1.692) 12.139 3.136 ( 6.399 19.052 -1.369) 20.145 3.421 ( 5.215 3.615 -6.635) 9.181 4.021 ( 0.753 -0.022 -1.863) 2.009 5.021 ( 18.030 17.591 3.126) 25.383 8.413 ( 0.477 3.001 -2.404) 3.875 8.622 ( 8.603 18.095 -0.455) 20.041 10.604 ( -2.579 2.327 -0.012) 3.473 10.983 ( -3.417 -9.903 -18.255) 21.048 12.305 ( -15.656 -21.163 15.635) 30.618 14.830 ( -2.820 -1.790 -7.400) 8.119 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 1.835 9.328 1.997) 9.715 2.573 ( 8.951 8.560 4.687) 13.242 3.370 ( 2.300 7.950 -6.888) 10.768 3.475 ( 0.603 9.545 -6.593) 11.617 4.050 ( 1.530 0.595 4.708) 4.986 5.450 ( 14.591 10.472 2.067) 18.079 8.506 ( 7.738 5.974 -4.102) 10.602 8.960 ( 7.669 18.660 -0.632) 20.184 10.562 ( -4.957 1.580 -1.732) 5.483 10.766 ( -5.543 -9.010 -9.435) 14.175 11.869 ( -17.899 -14.636 9.503) 24.998 14.773 ( 1.538 -4.060 -3.903) 5.838 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -1.080 9.656 0.633) 9.736 2.807 ( 8.532 5.078 3.985) 10.699 3.315 ( -2.711 -2.914 -12.782) 13.388 3.631 ( -1.599 18.059 -0.529) 18.138 4.095 ( 1.081 -0.124 5.514) 5.620 5.738 ( 10.137 3.839 1.546) 10.950 8.766 ( 15.236 8.066 -4.277) 17.762 9.220 ( 2.903 15.068 -1.892) 15.461 10.458 ( -3.051 -4.643 -4.166) 6.944 10.539 ( -13.187 -4.149 1.667) 13.925 11.513 ( -14.148 -2.903 2.700) 14.693 14.774 ( 5.059 -6.306 -0.528) 8.102 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( -3.866 8.756 -0.177) 9.573 2.942 ( 1.464 -1.172 -0.935) 2.095 3.248 ( 2.488 1.986 -7.025) 7.712 3.737 ( -5.961 16.304 0.166) 17.360 4.106 ( -0.573 -1.894 4.003) 4.466 5.882 ( 4.734 -1.564 1.232) 5.136 9.123 ( 18.169 4.776 -4.995) 19.439 9.324 ( -3.306 7.837 -1.540) 8.644 10.244 ( -18.483 2.108 4.882) 19.233 10.396 ( 2.335 -3.896 -1.354) 4.740 11.348 ( -8.240 6.099 -1.218) 10.324 14.808 ( 6.412 -7.645 2.081) 10.193 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -6.075 5.735 -0.913) 8.405 2.841 ( -7.050 -2.422 -5.058) 9.008 3.400 ( 10.204 4.507 -1.398) 11.242 3.747 ( -10.710 14.122 0.851) 17.745 4.057 ( -2.882 -3.970 2.446) 5.481 5.876 ( -1.825 -5.331 0.992) 5.721 9.168 ( -5.684 -10.198 -1.749) 11.806 9.429 ( 1.139 5.541 1.504) 5.854 10.111 ( -1.632 12.803 -1.112) 12.955 10.456 ( 4.501 2.837 1.671) 5.576 11.310 ( -3.455 7.111 -2.684) 8.349 14.850 ( 6.236 -7.453 3.924) 10.480 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -7.265 0.272 -1.932) 7.522 2.673 ( -10.154 1.431 -2.984) 10.680 3.613 ( 2.778 5.595 -2.730) 6.817 3.670 ( -6.284 9.700 2.611) 11.849 3.943 ( -5.570 -5.615 1.750) 8.101 5.720 ( -9.366 -7.317 0.778) 11.911 8.921 ( -8.698 -11.731 3.167) 14.943 9.321 ( -15.218 1.683 2.617) 15.533 10.389 ( 12.088 12.923 -4.188) 18.184 10.604 ( 8.385 8.160 0.054) 11.700 11.357 ( 3.468 4.353 -3.088) 6.365 14.901 ( 5.809 -5.679 4.959) 9.517 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -8.993 -3.240 -1.838) 9.734 2.502 ( -11.870 2.989 -0.617) 12.256 3.452 ( -18.595 7.921 0.548) 20.219 3.763 ( -8.168 -5.580 -2.128) 10.118 3.871 ( 10.475 2.461 2.240) 10.991 5.414 ( -17.775 -7.886 0.599) 19.455 8.694 ( -7.077 -8.435 4.644) 11.950 9.025 ( -19.610 -0.902 2.368) 19.773 10.548 ( -1.520 8.128 -0.696) 8.299 11.012 ( 25.430 10.473 -5.989) 28.147 11.488 ( 8.634 1.536 -1.847) 8.962 14.971 ( 5.769 -3.127 4.799) 8.130 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -12.615 -3.318 0.185) 13.045 2.315 ( -12.445 1.222 0.451) 12.513 3.176 ( -20.355 4.301 0.424) 20.809 3.525 ( -12.711 -5.145 -0.381) 13.718 4.067 ( 9.260 1.710 -0.964) 9.466 4.959 ( -26.660 -7.379 0.765) 27.673 8.511 ( -11.897 -4.328 2.545) 12.913 8.708 ( -11.797 -2.432 3.009) 12.415 10.581 ( -0.961 4.850 -0.914) 5.028 11.537 ( 24.652 6.836 -21.440) 33.378 11.670 ( 13.065 1.778 14.849) 19.859 15.061 ( 5.560 -1.249 3.011) 6.445 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -16.787 -2.685 2.647) 17.205 2.096 ( -14.229 -0.339 1.278) 14.291 2.860 ( -19.134 1.244 -0.128) 19.175 3.225 ( -17.369 -3.104 0.151) 17.645 4.197 ( 2.210 0.751 -6.160) 6.587 4.383 ( -30.259 -5.027 4.628) 31.021 8.171 ( -20.911 -2.539 1.165) 21.097 8.661 ( 4.566 -1.138 1.737) 5.016 10.622 ( 2.378 1.995 -0.824) 3.212 11.701 ( 5.873 -0.547 -15.528) 16.611 12.191 ( 29.286 6.019 11.184) 31.922 15.141 ( 4.141 -0.949 -0.275) 4.257 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -19.857 -1.178 5.177) 20.555 1.817 ( -18.575 -0.759 1.980) 18.695 2.567 ( -14.956 -0.186 -0.923) 14.985 2.872 ( -22.573 0.461 1.719) 22.643 3.687 ( -38.629 0.614 -1.431) 38.660 4.316 ( 3.787 -0.214 -1.048) 3.936 7.812 ( -18.902 -0.391 0.885) 18.927 8.806 ( 12.772 -1.228 0.405) 12.838 10.699 ( 5.278 0.500 -0.669) 5.343 11.681 ( -1.899 -1.165 -16.261) 16.413 12.786 ( 30.182 2.888 12.233) 32.695 15.170 ( 1.257 -1.515 -4.219) 4.656 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 0.000 15.384 16.678) 22.690 1.718 ( 0.000 17.796 6.856) 19.071 2.368 ( 0.000 10.400 -3.437) 10.953 2.709 ( 0.000 24.951 5.788) 25.614 3.297 ( 0.000 37.894 -2.736) 37.993 4.295 ( -0.000 -1.698 -4.906) 5.191 7.684 ( 0.000 16.885 1.878) 16.989 8.999 ( -0.000 -11.736 4.659) 12.627 10.734 ( -0.000 -7.209 -1.457) 7.355 11.223 ( -0.000 6.689 -32.182) 32.870 13.230 ( -0.000 -29.259 16.002) 33.349 15.079 ( -0.000 5.379 -9.467) 10.889 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 0.951 14.163 13.068) 19.295 1.948 ( 4.945 13.708 6.055) 15.781 2.533 ( 6.665 13.506 -2.757) 15.312 2.986 ( 4.153 19.079 2.768) 19.721 3.709 ( 7.078 30.231 -5.309) 31.499 4.291 ( 0.700 5.170 -1.784) 5.514 7.909 ( 4.924 18.783 1.923) 19.513 8.867 ( -5.185 -8.824 3.908) 10.956 10.639 ( -1.538 -5.729 -2.045) 6.275 11.170 ( 0.877 -0.799 -29.113) 29.137 12.966 ( -3.274 -28.394 17.362) 33.442 15.080 ( -2.260 3.455 -8.895) 9.806 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 3.791 12.259 9.999) 16.268 2.177 ( 5.681 10.699 4.497) 12.921 2.834 ( 10.747 17.072 -1.644) 20.240 3.220 ( 4.523 11.890 -1.411) 12.799 3.964 ( 3.083 6.655 -8.680) 11.364 4.520 ( 9.006 23.517 4.029) 25.503 8.226 ( 8.362 19.804 2.419) 21.633 8.688 ( -8.252 -3.166 0.358) 8.846 10.590 ( 1.642 -2.545 -1.455) 3.360 11.052 ( -0.580 -7.259 -24.349) 25.414 12.663 ( -6.115 -27.063 17.176) 32.632 15.009 ( -5.548 1.386 -8.506) 10.249 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 5.883 9.669 8.352) 14.066 2.384 ( 5.350 10.307 2.703) 11.923 3.193 ( 9.357 19.090 -1.487) 21.312 3.357 ( 3.969 4.195 -7.060) 9.121 4.007 ( 1.104 2.014 -2.148) 3.145 4.959 ( 12.323 21.533 2.992) 24.990 8.474 ( -2.546 5.612 0.127) 6.164 8.672 ( 6.424 17.502 0.401) 18.648 10.629 ( 2.836 2.179 -0.449) 3.605 10.864 ( -2.286 -11.481 -19.819) 23.018 12.326 ( -8.703 -24.980 14.920) 30.370 14.878 ( -6.731 -0.738 -7.587) 10.169 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 6.110 6.433 7.214) 11.435 2.586 ( 4.696 11.817 1.211) 12.773 3.341 ( 0.460 -0.258 -10.853) 10.865 3.558 ( 6.774 18.288 -2.178) 19.623 4.054 ( 1.427 2.599 3.900) 4.900 5.344 ( 11.239 13.092 1.910) 17.360 8.487 ( 0.836 6.591 -1.625) 6.839 9.020 ( 8.200 20.073 1.432) 21.730 10.613 ( -4.920 -8.352 -13.054) 16.260 10.732 ( 1.788 2.196 -1.784) 3.347 11.971 ( -10.536 -20.158 10.672) 25.124 14.738 ( -4.223 -3.545 -5.620) 7.873 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 4.358 6.362 4.952) 9.165 2.773 ( 3.574 9.902 0.870) 10.563 3.278 ( -0.855 -2.896 -12.060) 12.432 3.799 ( 1.829 14.803 -0.364) 14.920 4.128 ( 0.477 6.166 4.791) 7.823 5.611 ( 9.218 4.400 1.411) 10.312 8.641 ( 8.134 9.156 -1.168) 12.302 9.313 ( 4.039 15.749 0.490) 16.266 10.402 ( -2.791 -10.835 -10.186) 15.131 10.750 ( -7.276 6.966 2.120) 10.294 11.668 ( -8.920 -9.644 4.847) 14.002 14.643 ( 0.806 -6.889 -2.840) 7.495 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( -1.215 9.362 1.587) 9.573 2.889 ( 2.925 1.082 0.201) 3.125 3.222 ( 0.340 1.670 -9.252) 9.408 3.910 ( 0.123 4.381 2.732) 5.165 4.207 ( -4.578 13.617 1.820) 14.481 5.760 ( 6.907 -2.667 1.245) 7.508 8.910 ( 12.337 7.736 -1.299) 14.619 9.446 ( -2.180 7.684 -0.244) 7.992 10.273 ( 1.958 -8.564 -5.662) 10.452 10.629 ( -15.493 9.773 4.566) 18.878 11.519 ( -5.939 2.042 -0.546) 6.304 14.614 ( 5.624 -9.367 0.000) 10.926 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -6.646 2.655 -2.672) 7.639 2.917 ( -1.734 3.316 -0.476) 3.772 3.294 ( 5.852 5.110 -4.466) 8.961 3.925 ( -0.163 -2.712 4.545) 5.295 4.226 ( -11.215 16.380 -0.415) 19.855 5.805 ( 3.408 -6.831 1.119) 7.715 9.091 ( 2.758 -4.494 -2.460) 5.818 9.478 ( 0.918 7.807 2.478) 8.242 10.217 ( 0.530 -5.344 -4.879) 7.256 10.560 ( -8.038 17.606 6.009) 20.265 11.451 ( -6.126 4.630 -3.512) 8.444 14.645 ( 8.354 -9.584 2.151) 12.895 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -7.360 -1.531 -2.803) 8.023 2.877 ( -8.691 6.743 -0.935) 11.039 3.466 ( 9.912 3.538 -3.678) 11.149 3.887 ( -1.581 -4.823 5.641) 7.589 4.135 ( -16.539 13.703 -1.364) 21.521 5.749 ( -2.044 -7.671 0.907) 7.991 8.946 ( -6.767 -9.987 0.373) 12.070 9.546 ( -6.224 3.614 2.709) 7.690 10.267 ( 10.698 4.895 -5.677) 13.063 10.687 ( -1.919 17.178 5.645) 18.183 11.375 ( -3.688 0.808 -4.795) 6.103 14.718 ( 9.023 -7.542 3.079) 12.156 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( -8.091 -1.741 -1.281) 8.374 2.750 ( -12.305 4.848 -0.595) 13.239 3.652 ( 8.455 2.139 -7.269) 11.354 3.823 ( -2.075 -3.681 9.088) 10.022 3.925 ( -19.696 8.108 -1.941) 21.388 5.585 ( -9.547 -6.104 0.682) 11.352 8.737 ( -6.799 -7.810 2.079) 10.561 9.352 ( -17.123 0.002 1.747) 17.212 10.588 ( 15.838 8.518 -5.632) 18.845 10.812 ( -0.467 11.533 2.667) 11.846 11.359 ( 5.217 -1.971 -2.397) 6.070 14.819 ( 8.648 -4.587 2.516) 10.107 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -9.764 -0.955 0.649) 9.832 2.557 ( -13.599 1.874 0.132) 13.729 3.590 ( -20.578 4.746 0.289) 21.120 3.652 ( -8.190 -3.307 -4.474) 9.901 3.915 ( 9.117 0.643 2.691) 9.528 5.299 ( -18.548 -3.513 0.697) 18.890 8.584 ( -4.717 -4.308 1.436) 6.548 9.015 ( -21.074 -1.040 1.178) 21.133 10.695 ( -5.972 5.268 -0.313) 7.969 11.114 ( 23.856 4.237 -11.463) 26.804 11.506 ( 11.562 0.388 7.490) 13.781 14.932 ( 7.792 -2.397 0.492) 8.168 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -13.240 0.206 2.458) 13.468 2.333 ( -13.492 -0.141 0.863) 13.520 3.225 ( -22.092 -0.461 -0.560) 22.104 3.463 ( -12.230 0.121 -1.233) 12.292 4.077 ( 8.392 0.244 -1.751) 8.576 4.887 ( -27.394 -0.112 1.473) 27.433 8.464 ( -9.987 -1.327 0.323) 10.080 8.677 ( -12.766 -1.425 -0.319) 12.849 10.638 ( -2.670 0.499 -0.130) 2.719 11.452 ( 16.500 0.572 -22.003) 27.509 11.840 ( 21.453 2.275 20.217) 29.566 15.031 ( 6.270 -1.853 -2.612) 7.041 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -17.151 1.878 3.859) 17.680 2.097 ( -14.345 -0.385 1.410) 14.419 2.852 ( -19.110 -1.632 -1.017) 19.206 3.229 ( -16.654 3.123 0.542) 16.953 4.170 ( 0.188 1.055 -7.763) 7.836 4.404 ( -28.463 3.768 5.603) 29.253 8.166 ( -20.692 1.425 0.599) 20.750 8.621 ( 5.233 -2.563 -2.555) 6.362 10.631 ( 2.264 -0.980 0.113) 2.469 11.581 ( 6.639 -0.037 -20.846) 21.877 12.347 ( 27.612 -0.456 20.347) 34.302 15.086 ( 4.029 -2.401 -6.090) 7.687 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 0.000 12.108 13.039) 17.793 2.032 ( 0.000 10.792 3.709) 11.412 2.596 ( 0.000 14.075 -2.492) 14.293 3.145 ( 0.000 17.223 0.223) 17.224 3.883 ( 0.000 16.931 -8.241) 18.830 4.392 ( 0.000 19.050 2.307) 19.189 8.059 ( 0.000 19.492 1.023) 19.519 8.856 ( 0.000 -4.941 3.796) 6.231 10.588 ( -0.000 -6.320 -0.884) 6.381 11.033 ( -0.000 -6.345 -29.002) 29.688 12.764 ( -0.000 -28.070 17.031) 32.833 15.112 ( -0.000 3.511 -7.537) 8.315 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 2.131 9.667 5.400) 11.276 2.201 ( 3.364 8.860 8.156) 12.504 2.810 ( 8.663 15.067 -1.600) 17.454 3.291 ( 0.593 11.163 -4.560) 12.073 3.969 ( 0.850 5.427 -6.196) 8.280 4.682 ( 3.738 28.288 3.752) 28.780 8.305 ( 5.652 19.566 0.889) 20.385 8.789 ( -5.139 -0.598 0.701) 5.221 10.532 ( 0.729 -3.842 -0.702) 3.973 10.880 ( 1.317 -10.822 -23.882) 26.253 12.515 ( -2.721 -27.444 15.514) 31.643 15.090 ( -3.857 2.596 -6.732) 8.181 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 3.894 8.727 6.684) 11.662 2.376 ( 6.045 7.086 4.429) 10.314 3.159 ( 13.765 15.858 -1.189) 21.033 3.344 ( -0.424 3.764 -9.724) 10.436 4.017 ( 0.670 4.274 -0.401) 4.345 5.046 ( 5.734 24.742 2.796) 25.551 8.583 ( 0.831 11.343 0.621) 11.390 8.745 ( 1.860 12.128 -1.339) 12.343 10.559 ( 5.048 -0.380 -0.421) 5.080 10.712 ( -0.154 -12.379 -18.102) 21.931 12.225 ( -4.854 -26.359 13.036) 29.804 14.988 ( -7.769 1.077 -6.304) 10.062 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 4.340 5.827 7.742) 10.618 2.586 ( 7.985 8.690 1.430) 11.888 3.305 ( -1.122 -1.300 -11.841) 11.965 3.557 ( 13.127 16.799 -1.512) 21.373 4.075 ( 0.928 3.678 3.723) 5.315 5.356 ( 5.141 16.779 1.766) 17.638 8.584 ( -3.807 7.504 -1.493) 8.546 9.068 ( 9.868 19.114 1.249) 21.547 10.504 ( -1.777 -13.496 -14.096) 19.596 10.704 ( 7.086 5.258 -0.120) 8.825 11.918 ( -5.765 -23.491 10.111) 26.216 14.818 ( -9.400 -1.181 -5.704) 11.058 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 5.227 3.787 6.571) 9.211 2.811 ( 6.243 10.125 0.355) 11.900 3.225 ( -1.006 -3.036 -11.170) 11.619 3.869 ( 4.434 11.535 -0.865) 12.388 4.178 ( 5.034 8.042 4.352) 10.438 5.555 ( 3.560 7.277 1.103) 8.175 8.654 ( 2.043 10.331 0.069) 10.531 9.387 ( 5.917 15.129 1.244) 16.292 10.294 ( -2.499 -12.640 -10.765) 16.790 10.885 ( 3.358 9.952 0.256) 10.507 11.654 ( -3.498 -16.701 6.725) 18.341 14.627 ( -7.228 -4.397 -4.412) 9.541 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 6.010 2.409 4.657) 7.976 2.950 ( -1.741 6.841 -1.773) 7.278 3.188 ( 2.992 1.678 -8.184) 8.874 3.930 ( -1.497 -0.433 2.769) 3.178 4.415 ( 3.200 18.635 1.029) 18.936 5.637 ( 3.276 -2.394 0.907) 4.158 8.843 ( 6.610 10.608 1.492) 12.588 9.548 ( -0.828 7.451 0.313) 7.503 10.129 ( 0.780 -10.863 -7.347) 13.138 10.960 ( -7.833 11.952 2.634) 14.531 11.550 ( 1.758 -4.405 1.562) 4.994 14.477 ( -1.438 -7.771 -2.295) 8.230 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( -2.590 -1.813 -2.718) 4.169 2.951 ( 1.794 5.294 2.223) 6.016 3.286 ( 2.474 8.586 -5.830) 10.669 3.879 ( -0.678 -6.707 4.495) 8.102 4.594 ( -6.894 21.677 -0.425) 22.751 5.646 ( 4.973 -9.499 0.985) 10.768 9.031 ( 3.271 4.017 0.771) 5.237 9.556 ( -1.917 4.739 1.464) 5.318 10.065 ( 4.711 -8.908 -5.519) 11.489 10.935 ( -10.508 15.885 5.056) 19.706 11.554 ( -2.103 1.908 -2.880) 4.045 14.424 ( 5.501 -9.110 -0.026) 10.642 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( -6.607 -1.233 -2.296) 7.103 3.040 ( -0.818 5.327 1.231) 5.528 3.381 ( 2.294 6.966 -5.699) 9.288 3.824 ( 1.681 -8.505 5.290) 10.156 4.583 ( -16.587 17.023 -0.760) 23.780 5.640 ( 5.006 -9.577 0.878) 10.842 8.984 ( -6.458 -4.535 0.182) 7.893 9.638 ( 0.804 5.704 2.995) 6.492 10.084 ( 8.875 -3.949 -5.174) 11.006 10.976 ( -6.312 18.131 6.177) 20.167 11.459 ( -7.858 -1.365 -5.217) 9.530 14.480 ( 9.955 -7.235 1.086) 12.354 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -7.486 -0.272 -0.325) 7.498 2.993 ( -9.948 3.777 -0.188) 10.643 3.498 ( 7.768 2.931 -6.153) 10.335 3.801 ( 1.472 -5.469 5.671) 8.015 4.372 ( -21.480 7.872 -0.342) 22.879 5.618 ( -0.296 -4.694 0.559) 4.736 8.807 ( -8.056 -4.085 0.874) 9.075 9.592 ( -9.866 0.028 1.199) 9.938 10.307 ( 17.851 2.797 -4.015) 18.509 11.081 ( -7.346 16.651 6.121) 19.201 11.267 ( -2.802 -8.417 -5.029) 10.197 14.610 ( 10.810 -3.920 0.421) 11.507 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( -8.313 0.849 1.603) 8.508 2.805 ( -13.403 0.216 0.024) 13.405 3.631 ( 5.643 1.742 -10.175) 11.764 3.798 ( 0.985 -2.709 6.846) 7.429 4.032 ( -21.695 0.707 1.392) 21.751 5.519 ( -8.999 -0.230 0.459) 9.014 8.653 ( -6.831 -1.112 -0.001) 6.921 9.349 ( -17.532 -0.863 0.460) 17.559 10.662 ( 19.931 2.596 -4.492) 20.596 10.937 ( -9.723 -3.239 -3.429) 10.807 11.351 ( 9.223 3.133 6.481) 11.699 14.760 ( 9.532 -1.434 -1.581) 9.768 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -9.940 2.099 3.157) 10.639 2.561 ( -13.712 -1.716 0.535) 13.830 3.559 ( -17.049 -3.875 -3.712) 17.873 3.644 ( -9.648 1.983 -3.926) 10.603 3.934 ( 6.874 -0.629 3.976) 7.966 5.301 ( -18.326 3.199 0.868) 18.623 8.548 ( -5.159 1.097 -2.341) 5.771 9.002 ( -21.240 -0.623 -0.207) 21.250 10.701 ( -6.124 -4.799 0.280) 7.785 11.058 ( 21.589 -0.531 -13.505) 25.470 11.605 ( 14.465 1.191 14.148) 20.268 14.888 ( 7.365 -0.679 -4.215) 8.513 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -13.337 3.744 4.046) 14.431 2.319 ( -12.550 -1.571 0.810) 12.674 3.161 ( -20.095 -4.251 -1.214) 20.576 3.503 ( -11.190 4.204 -2.684) 12.251 4.059 ( 7.179 -0.891 -1.736) 7.440 4.971 ( -25.967 7.036 2.009) 26.978 8.463 ( -7.681 2.016 -2.782) 8.415 8.652 ( -15.851 -0.101 -2.731) 16.085 10.597 ( -0.763 -4.181 0.731) 4.313 11.325 ( 15.265 -0.937 -18.868) 24.287 11.966 ( 22.124 -2.970 21.152) 30.752 14.967 ( 4.893 -1.256 -6.919) 8.567 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 0.000 6.514 1.188) 6.621 2.298 ( 0.000 8.005 10.366) 13.097 2.868 ( 0.000 13.807 -1.297) 13.868 3.356 ( -0.000 6.051 -9.391) 11.171 4.005 ( 0.000 5.815 -1.757) 6.074 4.950 ( 0.000 28.738 3.297) 28.926 8.438 ( 0.000 17.959 -0.712) 17.973 8.842 ( -0.000 2.276 -1.907) 2.969 10.490 ( -0.000 -3.123 0.457) 3.156 10.678 ( -0.000 -12.802 -19.500) 23.327 12.311 ( -0.000 -27.278 13.011) 30.222 15.137 ( -0.000 3.079 -5.293) 6.123 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 4.948 5.786 0.616) 7.639 2.407 ( 1.184 5.852 9.209) 10.976 3.083 ( 9.755 12.742 -1.052) 16.082 3.349 ( -0.662 0.937 -12.480) 12.533 4.069 ( -0.086 6.460 1.960) 6.752 5.244 ( 1.599 24.896 2.521) 25.074 8.656 ( 5.046 14.751 -1.107) 15.629 8.835 ( -2.057 6.326 -5.307) 8.510 10.479 ( 1.379 -4.036 -2.296) 4.843 10.530 ( 2.492 -8.952 -9.588) 13.352 12.058 ( -2.176 -26.577 10.078) 28.507 15.107 ( -5.274 2.620 -4.596) 7.470 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 6.493 5.792 2.161) 8.965 2.520 ( 5.005 4.094 6.408) 9.103 3.272 ( -0.638 -1.556 -11.972) 12.090 3.446 ( 15.209 12.405 -1.470) 19.681 4.127 ( -0.869 4.814 3.542) 6.039 5.492 ( 0.961 18.615 1.689) 18.716 8.726 ( -4.372 7.240 -4.469) 9.566 9.052 ( 11.963 15.338 -1.612) 19.518 10.363 ( -0.799 -11.143 -8.299) 13.917 10.602 ( 7.687 2.036 0.808) 7.993 11.785 ( -3.118 -23.949 7.480) 25.283 14.979 ( -10.202 1.305 -4.395) 11.185 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 3.636 2.658 6.315) 7.756 2.741 ( 10.904 6.247 0.714) 12.587 3.192 ( -1.786 -2.395 -10.235) 10.662 3.842 ( 14.012 12.685 -1.740) 18.980 4.165 ( 1.484 2.357 4.304) 5.127 5.640 ( -1.660 11.025 0.991) 11.193 8.746 ( -0.850 9.422 -2.194) 9.711 9.396 ( 10.161 12.954 -0.503) 16.472 10.200 ( -3.423 -9.665 -6.397) 12.085 10.810 ( 12.465 4.223 0.041) 13.161 11.544 ( -2.308 -18.069 5.901) 19.148 14.767 ( -12.752 -0.813 -4.106) 13.421 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 4.733 1.164 4.484) 6.622 2.984 ( 7.477 6.956 0.443) 10.222 3.118 ( 0.435 -1.528 -7.681) 7.844 3.993 ( -3.752 2.434 0.797) 4.543 4.400 ( 15.787 10.701 1.492) 19.130 5.654 ( -4.823 2.565 0.541) 5.489 8.873 ( 3.672 10.651 1.019) 11.313 9.609 ( 2.924 6.829 -0.725) 7.464 10.024 ( -3.789 -9.124 -4.971) 11.059 11.079 ( 9.299 8.523 -1.123) 12.664 11.415 ( 3.038 -10.111 5.006) 11.684 14.523 ( -11.157 -3.427 -3.153) 12.090 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 4.404 -0.217 1.492) 4.655 3.003 ( -3.229 1.184 -1.699) 3.836 3.263 ( 9.074 6.968 -2.771) 11.772 3.894 ( -6.378 -3.720 2.127) 7.684 4.781 ( 10.661 16.457 0.028) 19.608 5.539 ( -5.315 -7.184 0.486) 8.950 9.046 ( 3.301 7.595 2.216) 8.572 9.644 ( -2.753 3.773 0.016) 4.671 9.893 ( 1.519 -9.076 -4.437) 10.215 11.202 ( -3.978 9.238 2.281) 10.314 11.501 ( 8.881 -1.252 -0.089) 8.970 14.331 ( -4.421 -5.144 -1.460) 6.938 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( -3.535 -0.163 -0.929) 3.659 3.018 ( 4.034 0.860 0.540) 4.160 3.453 ( 3.108 10.322 -4.063) 11.520 3.742 ( -3.657 -9.151 3.852) 10.581 5.001 ( -10.055 18.471 -0.641) 21.040 5.408 ( 6.990 -14.122 0.770) 15.776 9.073 ( -5.343 0.073 0.991) 5.434 9.680 ( 0.839 5.186 2.179) 5.687 9.876 ( 7.376 -5.478 -4.123) 10.071 11.213 ( -4.395 6.695 3.122) 8.596 11.556 ( -3.170 0.918 -2.323) 4.036 14.286 ( 4.819 -3.897 -0.169) 6.200 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( -6.565 1.226 0.838) 6.731 3.087 ( 1.631 -0.921 -0.818) 2.044 3.486 ( -4.881 4.851 -4.616) 8.286 3.703 ( 5.801 -4.557 4.311) 8.544 4.785 ( -20.925 0.457 -0.087) 20.930 5.515 ( 8.674 -0.482 0.245) 8.690 8.938 ( -8.845 -0.185 1.066) 8.911 9.688 ( -2.161 -2.111 -0.787) 3.122 10.049 ( 13.399 3.034 -0.962) 13.771 11.183 ( -1.969 -5.944 -1.034) 6.346 11.430 ( -11.837 5.593 1.707) 13.203 14.399 ( 10.116 -0.548 -0.647) 10.152 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( -7.580 2.225 2.628) 8.326 2.991 ( -9.120 -3.662 -0.452) 9.838 3.503 ( 5.700 0.845 -6.057) 8.360 3.778 ( 2.453 0.668 3.629) 4.431 4.381 ( -21.221 -7.078 0.651) 22.380 5.613 ( -0.146 4.119 0.113) 4.123 8.802 ( -8.911 3.267 0.345) 9.497 9.569 ( -9.040 -2.195 -1.229) 9.384 10.335 ( 17.047 1.640 -1.245) 17.171 10.973 ( -5.898 -16.583 -4.655) 18.206 11.382 ( -3.567 7.806 6.698) 10.887 14.583 ( 10.167 2.039 -2.414) 10.647 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( -8.266 2.750 3.786) 9.498 2.760 ( -12.196 -4.061 0.475) 12.863 3.601 ( 5.503 1.207 -10.875) 12.248 3.782 ( -5.888 -3.298 2.485) 7.191 3.983 ( -13.376 -4.959 4.663) 15.008 5.582 ( -9.258 5.721 0.419) 10.891 8.695 ( -8.760 5.966 -2.414) 10.870 9.324 ( -16.730 -1.536 -1.206) 16.844 10.645 ( 18.597 -2.638 -1.338) 18.831 10.719 ( -2.795 -12.320 -4.524) 13.419 11.468 ( 5.835 0.783 8.289) 10.167 14.753 ( 7.692 2.812 -4.382) 9.289 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -8.963 2.225 3.650) 9.930 2.520 ( -12.653 -1.078 1.529) 12.791 3.432 ( -18.008 -6.859 -1.731) 19.347 3.644 ( -1.899 1.982 -9.812) 10.189 3.952 ( 3.210 -0.185 6.041) 6.843 5.419 ( -17.251 7.521 1.104) 18.852 8.598 ( -8.188 6.227 -5.557) 11.692 8.984 ( -20.040 -0.633 -1.945) 20.144 10.563 ( -1.176 -7.489 0.776) 7.621 10.953 ( 19.672 -3.479 -9.326) 22.047 11.655 ( 15.136 -5.468 12.949) 20.656 14.868 ( 4.567 2.063 -6.027) 7.838 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 0.000 4.270 0.086) 4.271 2.474 ( 0.000 4.180 8.288) 9.283 3.108 ( 0.000 10.760 -0.682) 10.781 3.308 ( -0.000 -1.874 -13.394) 13.525 4.148 ( 0.000 6.970 3.120) 7.636 5.474 ( 0.000 21.909 1.961) 21.997 8.735 ( 0.000 12.539 -2.349) 12.757 8.883 ( -0.000 4.503 -10.038) 11.002 10.366 ( -0.000 -9.475 -5.035) 10.730 10.478 ( 0.000 1.196 1.815) 2.174 11.839 ( -0.000 -26.261 6.801) 27.128 15.173 ( -0.000 3.163 -3.440) 4.673 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 5.986 3.706 -0.066) 7.041 2.540 ( 1.018 2.572 7.395) 7.895 3.228 ( 0.041 -0.899 -10.261) 10.301 3.312 ( 10.245 7.504 -2.116) 12.874 4.210 ( -1.285 5.383 3.043) 6.316 5.673 ( -0.258 17.030 1.307) 17.082 8.828 ( -2.013 5.979 -7.542) 9.833 8.967 ( 9.761 8.895 -5.575) 14.335 10.281 ( -0.972 -5.584 -0.025) 5.668 10.529 ( 3.089 1.898 1.851) 4.071 11.597 ( -0.551 -23.757 4.103) 24.115 15.137 ( -6.518 2.670 -3.036) 7.670 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 7.976 3.180 0.314) 8.592 2.613 ( 4.925 1.530 5.892) 7.830 3.168 ( -0.990 -1.624 -8.605) 8.813 3.644 ( 18.230 8.107 -0.899) 19.972 4.222 ( -2.937 2.608 2.583) 4.701 5.797 ( -2.431 11.286 0.748) 11.569 8.830 ( -0.884 6.382 -5.977) 8.788 9.274 ( 15.202 8.055 -2.886) 17.444 10.203 ( -4.423 -1.828 0.959) 4.881 10.625 ( 8.060 -1.982 0.839) 8.342 11.404 ( 0.820 -16.265 2.911) 16.544 14.985 ( -12.358 1.475 -2.946) 12.789 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 3.321 0.164 3.756) 5.017 2.840 ( 13.153 3.217 0.638) 13.556 3.113 ( -1.858 -0.398 -5.111) 5.453 4.034 ( 12.145 7.927 -2.069) 14.650 4.206 ( 4.662 -0.543 2.983) 5.562 5.806 ( -6.503 5.366 0.272) 8.435 8.906 ( 3.045 7.309 -1.652) 8.089 9.549 ( 9.437 3.608 -2.411) 10.387 10.081 ( -8.921 -0.793 0.486) 8.969 10.813 ( 18.563 -3.884 -1.011) 18.992 11.331 ( 1.772 -5.787 3.340) 6.913 14.739 ( -15.578 0.067 -2.516) 15.780 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 4.333 -0.671 1.726) 4.712 3.063 ( -3.044 0.756 -1.824) 3.628 3.104 ( 13.593 2.830 0.392) 13.890 4.012 ( -8.217 -0.172 -0.396) 8.229 4.564 ( 23.168 4.343 0.518) 23.577 5.679 ( -11.461 0.248 -0.059) 11.464 9.045 ( 4.981 4.749 0.538) 6.903 9.661 ( 3.518 1.017 -2.100) 4.222 9.899 ( -9.706 -2.277 0.425) 9.978 11.153 ( 20.386 1.034 -3.162) 20.656 11.342 ( 2.022 -1.637 4.445) 5.150 14.466 ( -14.081 -0.626 -1.338) 14.158 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 4.088 -0.591 -0.015) 4.130 3.015 ( -2.837 0.852 0.178) 2.967 3.354 ( 12.425 1.607 1.054) 12.573 3.838 ( -10.341 -1.496 -1.022) 10.499 4.981 ( 21.293 0.129 0.241) 21.295 5.431 ( -16.207 -0.335 -0.269) 16.213 9.117 ( 0.802 -1.637 -0.697) 1.951 9.731 ( -0.644 -5.108 -1.087) 5.262 9.759 ( -0.112 7.772 1.973) 8.019 11.293 ( -2.061 -1.147 -0.746) 2.474 11.494 ( 11.705 -0.010 0.608) 11.720 14.281 ( -6.255 0.832 0.069) 6.310 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( -1.998 1.824 1.101) 2.921 3.002 ( 2.391 -2.041 -0.999) 3.298 3.534 ( 6.837 -8.025 4.800) 11.584 3.665 ( -7.210 7.354 -4.556) 11.261 5.010 ( -10.190 -18.337 0.356) 20.981 5.397 ( 7.252 13.738 -0.438) 15.540 9.062 ( -3.828 -1.309 -0.266) 4.055 9.642 ( -0.534 -5.621 -1.588) 5.865 9.941 ( 6.955 8.989 2.592) 11.657 11.163 ( -5.967 -10.467 -2.012) 12.215 11.592 ( -0.946 1.340 1.363) 2.132 14.288 ( 3.830 4.193 0.089) 5.680 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( -6.631 3.034 3.450) 8.067 3.006 ( 0.962 -5.623 -2.501) 6.229 3.444 ( -1.395 -5.489 0.284) 5.671 3.760 ( 3.550 6.646 -0.767) 7.574 4.594 ( -16.401 -16.734 0.428) 23.435 5.629 ( 5.206 9.142 -0.254) 10.523 8.992 ( -6.296 4.860 0.980) 8.013 9.583 ( 0.610 -6.133 -2.766) 6.755 10.157 ( 8.143 6.323 2.216) 10.545 10.882 ( -7.493 -18.952 -3.523) 20.681 11.541 ( -5.752 0.736 3.517) 6.782 14.456 ( 8.378 6.627 -1.427) 10.778 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( -7.689 0.897 3.650) 8.559 2.888 ( -7.090 -4.262 0.271) 8.277 3.452 ( 6.387 -2.236 -5.380) 8.645 3.841 ( -1.024 2.358 0.839) 2.704 4.160 ( -15.040 -13.122 1.467) 20.013 5.740 ( -1.751 7.323 0.052) 7.530 8.936 ( -9.532 10.187 -0.633) 13.966 9.493 ( -5.465 -4.243 -2.801) 7.464 10.352 ( 10.504 -1.042 2.556) 10.860 10.589 ( -1.329 -17.834 -3.857) 18.295 11.462 ( -2.852 -2.939 4.296) 5.935 14.660 ( 7.480 6.987 -3.000) 10.667 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -7.612 -3.355 1.527) 8.457 2.736 ( -9.988 2.825 3.827) 11.063 3.533 ( 6.234 -1.589 -10.524) 12.334 3.638 ( -13.654 -10.315 -0.186) 17.113 3.991 ( -2.334 1.901 5.357) 6.145 5.718 ( -8.956 6.986 0.567) 11.373 8.849 ( -12.229 11.267 -4.528) 17.234 9.267 ( -15.008 -2.967 -3.058) 15.601 10.454 ( 6.826 -11.710 2.958) 13.873 10.573 ( 13.768 -4.102 -3.261) 14.731 11.437 ( 5.263 -7.698 5.040) 10.600 14.816 ( 4.357 5.696 -3.885) 8.156 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 0.000 2.550 -0.114) 2.552 2.570 ( 0.000 1.170 6.281) 6.389 3.187 ( -0.000 -2.191 -9.510) 9.759 3.279 ( 0.000 6.723 -0.331) 6.731 4.280 ( 0.000 4.327 2.179) 4.845 5.831 ( 0.000 13.200 0.736) 13.221 8.883 ( -0.000 2.765 -11.783) 12.103 8.907 ( 0.000 6.586 -2.204) 6.945 10.271 ( 0.000 -0.691 4.877) 4.926 10.540 ( 0.000 3.191 1.706) 3.619 11.374 ( -0.000 -22.263 1.257) 22.299 15.215 ( -0.000 2.736 -2.351) 3.607 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 6.529 1.887 -0.093) 6.797 2.602 ( 1.068 -0.025 5.224) 5.332 3.145 ( -0.286 -0.599 -5.995) 6.032 3.437 ( 11.661 4.644 -0.314) 12.556 4.301 ( -2.167 2.351 1.152) 3.398 5.930 ( -1.286 8.464 0.265) 8.565 8.870 ( -0.411 3.894 -6.537) 7.620 9.071 ( 12.313 4.119 -2.234) 13.175 10.285 ( -1.541 3.045 4.894) 5.966 10.549 ( -1.664 -1.827 0.077) 2.473 11.212 ( 3.751 -14.791 0.374) 15.264 15.169 ( -7.320 1.994 -2.168) 7.890 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 5.611 0.229 0.130) 5.618 2.655 ( 7.971 -0.058 3.471) 8.695 3.128 ( -0.724 1.149 -2.185) 2.573 3.752 ( 20.016 3.020 -0.362) 20.246 4.258 ( -4.537 0.146 0.172) 4.543 5.947 ( -4.103 3.647 -0.134) 5.491 8.912 ( 1.828 4.309 -1.343) 4.870 9.354 ( 15.374 2.374 -1.361) 15.616 10.276 ( -9.378 5.317 2.877) 11.158 10.497 ( 8.607 -8.666 -2.003) 12.377 11.218 ( 6.207 -4.199 1.276) 7.602 14.997 ( -13.464 1.143 -1.858) 13.640 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 3.261 -1.599 0.881) 3.737 2.874 ( 13.819 -0.164 0.549) 13.831 3.123 ( -1.842 2.548 1.362) 3.427 4.129 ( 4.171 3.194 -3.246) 6.176 4.178 ( 13.113 -3.850 2.021) 13.815 5.856 ( -8.215 -0.194 -0.476) 8.231 8.991 ( 3.596 0.834 0.866) 3.792 9.574 ( 8.159 1.575 -0.820) 8.350 10.090 ( -12.079 -0.917 0.748) 12.136 10.745 ( 22.590 0.579 -1.285) 22.634 11.292 ( 3.899 -1.329 1.435) 4.361 14.740 ( -16.442 1.050 -0.855) 16.497 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 4.602 -2.021 -0.784) 5.087 3.061 ( 3.991 -0.981 -0.561) 4.148 3.160 ( 6.497 1.912 5.045) 8.445 3.993 ( -8.858 -0.749 -2.579) 9.256 4.560 ( 23.550 -5.009 0.172) 24.077 5.674 ( -11.424 -0.552 -0.630) 11.455 9.026 ( 3.180 -5.945 -1.435) 6.893 9.688 ( 3.378 0.749 0.658) 3.522 9.919 ( -8.219 4.423 2.625) 9.696 11.169 ( 22.538 2.827 -2.337) 22.835 11.303 ( -0.378 -4.631 1.140) 4.784 14.487 ( -13.990 2.774 0.784) 14.284 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 5.854 -2.107 -2.153) 6.584 3.040 ( -3.923 0.183 2.243) 4.523 3.334 ( 9.775 -4.047 4.969) 11.688 3.837 ( -7.932 2.621 -4.125) 9.317 4.781 ( 11.221 -16.920 0.090) 20.303 5.529 ( -5.508 6.961 -0.635) 8.899 8.998 ( 3.623 -7.901 -2.845) 9.146 9.654 ( -3.932 -3.606 1.097) 5.447 9.976 ( 1.742 11.676 4.244) 12.545 11.170 ( -6.872 -9.914 -0.944) 12.100 11.489 ( 12.370 -0.072 -1.531) 12.464 14.362 ( -5.463 6.378 1.804) 8.589 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 5.937 -2.074 -2.900) 6.925 2.955 ( -5.773 -2.201 2.689) 6.738 3.391 ( 1.463 -6.816 5.193) 8.693 3.798 ( -0.541 6.945 -4.054) 8.060 4.598 ( -6.435 -22.147 0.017) 23.063 5.632 ( 4.975 9.234 -0.512) 10.501 9.013 ( 5.863 -3.209 -1.182) 6.788 9.548 ( -4.285 -3.545 0.782) 5.616 10.149 ( 3.785 9.757 3.068) 10.906 10.866 ( -12.134 -16.414 -1.848) 20.496 11.578 ( 0.798 -2.960 -0.366) 3.088 14.433 ( 3.249 9.287 0.990) 9.888 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -5.586 -7.305 0.734) 9.225 2.920 ( 1.034 1.422 -0.007) 1.758 3.351 ( 0.417 -3.308 1.233) 3.555 3.868 ( 1.109 3.203 -1.236) 3.607 4.231 ( -10.612 -17.792 0.080) 20.716 5.792 ( 3.637 6.518 -0.262) 7.468 9.122 ( 3.661 6.627 0.660) 7.600 9.446 ( -1.937 -5.796 -0.686) 6.150 10.300 ( 2.639 6.261 2.686) 7.306 10.464 ( -10.410 -19.611 -2.925) 22.395 11.492 ( -4.390 -6.219 0.827) 7.657 14.619 ( 6.186 9.573 -0.512) 11.409 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -5.964 -7.001 0.404) 9.206 2.919 ( -4.775 3.987 3.140) 6.968 3.367 ( 5.153 -2.577 -4.971) 7.609 3.736 ( -10.363 -12.742 -0.174) 16.425 4.050 ( -0.948 1.186 1.649) 2.241 5.868 ( -1.457 5.044 0.177) 5.253 9.176 ( -10.832 13.071 -0.936) 17.002 9.377 ( -1.386 -4.443 -3.688) 5.939 10.160 ( 3.385 -17.716 3.999) 18.474 10.425 ( 4.533 1.218 -1.742) 5.007 11.348 ( -2.815 -9.010 1.193) 9.515 14.800 ( 4.605 7.788 -1.312) 9.142 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 0.000 0.901 0.120) 0.909 2.601 ( 0.000 -1.067 3.978) 4.119 3.135 ( -0.000 1.074 -2.416) 2.644 3.367 ( 0.000 2.331 -0.067) 2.332 4.339 ( 0.000 0.930 -0.091) 0.934 6.005 ( 0.000 4.286 -0.180) 4.289 8.894 ( -0.000 3.681 -2.399) 4.394 8.986 ( 0.000 2.483 -0.205) 2.491 10.319 ( 0.000 0.305 1.805) 1.831 10.595 ( 0.000 1.177 0.028) 1.177 11.034 ( -0.000 -9.743 -0.198) 9.745 15.245 ( -0.000 1.433 -1.953) 2.423 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 6.599 0.058 0.067) 6.600 2.605 ( 1.092 -2.009 2.721) 3.555 3.153 ( -0.177 3.018 1.383) 3.324 3.484 ( 11.903 0.139 0.044) 11.904 4.316 ( -2.516 -0.774 -1.301) 2.936 6.011 ( -1.623 -0.197 -0.559) 1.728 8.937 ( 0.091 3.814 3.315) 5.054 9.117 ( 12.290 1.282 0.970) 12.394 10.321 ( 2.804 -5.099 -3.796) 6.947 10.499 ( -9.316 1.607 0.258) 9.457 11.072 ( 7.362 0.355 1.058) 7.446 15.184 ( -7.449 0.682 -1.773) 7.687 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 3.493 -2.127 -0.988) 4.208 2.653 ( 9.973 -1.875 1.936) 10.331 3.190 ( -1.049 4.269 4.541) 6.320 3.758 ( 20.324 -2.400 0.275) 20.467 4.232 ( -4.847 -1.959 -2.608) 5.842 5.939 ( -4.085 -4.079 -0.930) 5.847 8.971 ( -0.236 -0.378 4.777) 4.797 9.382 ( 14.975 0.317 1.753) 15.081 10.215 ( -5.043 -6.684 -3.752) 9.175 10.514 ( 6.624 7.488 -0.119) 9.998 11.213 ( 5.438 2.865 0.653) 6.181 15.005 ( -13.070 0.592 -0.976) 13.119 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 3.438 -3.243 -1.719) 5.029 2.840 ( 12.874 -3.582 0.590) 13.376 3.225 ( -2.126 4.922 6.978) 8.800 4.068 ( 8.680 -7.795 1.288) 11.737 4.133 ( 7.967 -0.741 -4.760) 9.310 5.793 ( -6.329 -5.701 -1.074) 8.586 8.935 ( -0.740 -6.864 1.268) 7.019 9.583 ( 8.718 -3.636 1.046) 9.504 10.098 ( -5.644 4.623 2.395) 7.679 10.813 ( 19.479 4.238 -1.043) 19.961 11.291 ( 0.251 2.488 -0.835) 2.636 14.770 ( -14.859 1.971 0.693) 15.005 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 5.089 -3.723 -3.084) 7.019 2.984 ( 8.296 -6.796 0.280) 10.727 3.270 ( -0.412 4.751 8.860) 10.062 3.953 ( -5.890 -1.410 -3.822) 7.161 4.377 ( 17.460 -12.715 -0.888) 21.618 5.640 ( -4.642 -2.795 -0.901) 5.493 8.847 ( 1.428 -9.850 -1.718) 10.100 9.613 ( 2.827 -8.518 -0.199) 8.977 10.139 ( -2.945 13.712 7.139) 15.737 11.105 ( 8.829 -10.365 1.929) 13.751 11.316 ( 3.521 9.160 -5.773) 11.386 14.578 ( -11.102 5.071 2.579) 12.474 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 6.513 -4.185 -4.148) 8.783 2.976 ( 0.302 -8.464 1.136) 8.545 3.351 ( 1.263 2.435 9.305) 9.701 3.863 ( -2.794 1.872 -4.552) 5.660 4.396 ( 4.254 -20.552 -0.980) 21.011 5.621 ( 3.256 2.061 -0.710) 3.919 8.817 ( 7.007 -8.323 -1.249) 10.951 9.551 ( 0.325 -8.389 0.657) 8.421 10.261 ( -2.109 13.681 6.418) 15.258 10.932 ( -10.448 -12.576 -0.027) 16.350 11.491 ( 5.776 2.644 -4.853) 7.994 14.530 ( -3.134 8.378 3.200) 9.500 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 3.434 -6.946 -3.479) 8.494 2.889 ( 0.735 -6.308 0.019) 6.351 3.388 ( -2.806 2.406 8.231) 9.023 3.858 ( 0.944 -0.516 -2.574) 2.790 4.175 ( -4.083 -18.073 -1.643) 18.601 5.743 ( 7.039 2.287 -0.555) 7.422 8.930 ( 13.730 -4.716 0.839) 14.542 9.470 ( -1.533 -6.965 2.227) 7.472 10.356 ( -2.271 9.492 1.819) 9.928 10.572 ( -16.368 -10.605 -0.297) 19.505 11.496 ( -2.726 -3.458 -3.000) 5.328 14.635 ( 3.138 9.446 2.279) 10.211 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -0.000 -0.818 0.399) 0.910 2.579 ( -0.000 -2.882 1.439) 3.221 3.205 ( 0.000 4.934 5.065) 7.071 3.369 ( -0.000 -2.148 0.148) 2.153 4.316 ( -0.000 -2.399 -2.553) 3.503 5.998 ( -0.000 -4.690 -0.938) 4.783 9.007 ( 0.000 4.530 9.699) 10.704 9.008 ( 0.000 -1.023 2.075) 2.313 10.233 ( -0.000 -4.955 -7.305) 8.828 10.577 ( -0.000 -2.307 -1.880) 2.976 11.057 ( 0.000 9.908 2.033) 10.114 15.246 ( -0.000 -0.138 -1.877) 1.883 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 6.185 -1.860 0.056) 6.459 2.556 ( 1.132 -3.871 0.269) 4.042 3.273 ( -0.677 5.687 7.889) 9.748 3.444 ( 11.829 -4.186 0.429) 12.556 4.255 ( -2.278 -3.749 -3.819) 5.816 5.915 ( -1.304 -8.958 -1.354) 9.153 9.003 ( -1.137 -2.299 6.463) 6.954 9.149 ( 10.211 -1.040 6.916) 12.377 10.182 ( 0.131 -0.369 -5.876) 5.889 10.532 ( -0.397 -0.077 -1.641) 1.690 11.213 ( 2.703 12.442 0.430) 12.740 15.176 ( -6.871 -0.418 -1.485) 7.042 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 2.501 -4.192 -2.635) 5.547 2.601 ( 10.104 -4.256 1.002) 11.010 3.337 ( -1.618 5.564 9.693) 11.293 3.661 ( 18.700 -7.593 0.893) 20.203 4.150 ( -3.567 -3.729 -5.247) 7.359 5.774 ( -2.267 -11.738 -1.592) 12.060 8.924 ( -4.388 -6.971 3.696) 9.029 9.327 ( 12.717 -9.034 2.504) 15.799 10.219 ( -0.275 9.309 2.818) 9.730 10.605 ( 8.811 1.681 -1.094) 9.036 11.359 ( -0.292 12.290 -2.047) 12.463 15.012 ( -11.325 0.499 -0.121) 11.336 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 3.731 -5.102 -3.635) 7.291 2.737 ( 10.917 -7.043 0.164) 12.992 3.385 ( -2.396 5.070 10.772) 12.144 3.874 ( 14.169 -12.831 1.726) 19.193 4.061 ( 0.993 -2.348 -7.039) 7.487 5.617 ( -1.264 -11.363 -1.418) 11.521 8.768 ( -3.692 -9.407 0.145) 10.107 9.392 ( 8.729 -14.503 -0.878) 16.950 10.356 ( -1.588 15.926 9.924) 18.832 10.813 ( 13.648 -3.723 0.491) 14.155 11.436 ( -3.558 13.683 -5.729) 15.255 14.826 ( -11.718 2.819 2.054) 12.226 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 5.633 -5.412 -4.457) 8.994 2.806 ( 6.825 -10.840 -0.161) 12.810 3.432 ( -1.256 4.521 11.351) 12.282 3.871 ( 0.741 -7.071 -1.258) 7.220 4.090 ( 8.061 -11.943 -4.735) 15.167 5.534 ( 3.829 -7.726 -1.090) 8.692 8.653 ( 1.548 -8.491 -0.014) 8.631 9.364 ( 6.586 -15.776 -1.146) 17.134 10.506 ( -4.432 16.926 11.459) 20.915 10.889 ( 2.127 -11.203 1.145) 11.461 11.507 ( -1.588 13.886 -9.061) 16.656 14.707 ( -7.502 5.716 3.988) 10.240 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 6.418 -5.665 -4.586) 9.712 2.764 ( 2.788 -12.096 -0.410) 12.420 3.497 ( -0.918 4.281 11.793) 12.580 3.798 ( 0.308 -10.330 -0.930) 10.377 4.030 ( 1.485 -10.091 -5.507) 11.592 5.588 ( 9.384 -4.961 -0.911) 10.653 8.674 ( 9.143 -6.225 2.244) 11.286 9.315 ( 6.005 -15.473 0.693) 16.612 10.589 ( -7.734 13.932 9.293) 18.447 10.712 ( -9.425 -8.049 -1.559) 12.492 11.545 ( -4.372 6.853 -8.245) 11.579 14.713 ( -1.177 7.383 4.481) 8.717 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -0.000 -2.704 0.397) 2.733 2.504 ( -0.000 -4.891 -1.032) 4.999 3.285 ( -0.000 -6.503 0.323) 6.511 3.374 ( 0.000 6.577 10.750) 12.602 4.215 ( -0.000 -5.339 -4.943) 7.276 5.807 ( -0.000 -13.818 -1.795) 13.935 8.955 ( -0.000 -6.344 2.879) 6.967 9.103 ( 0.000 -3.729 10.782) 11.409 10.205 ( 0.000 8.373 -1.369) 8.484 10.500 ( -0.000 -3.287 -2.522) 4.143 11.350 ( 0.000 17.805 -1.438) 17.863 15.222 ( -0.000 -0.983 -1.692) 1.957 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 5.279 -3.925 -0.495) 6.597 2.453 ( 1.340 -6.241 -1.779) 6.627 3.305 ( 10.234 -8.461 0.859) 13.307 3.465 ( -0.297 4.790 11.783) 12.723 4.129 ( -1.441 -5.428 -5.820) 8.087 5.640 ( -0.139 -17.669 -2.126) 17.797 8.910 ( 0.441 -9.338 2.128) 9.587 9.076 ( 3.544 -10.255 4.269) 11.660 10.342 ( 0.700 14.929 6.485) 16.292 10.503 ( 4.130 -0.090 -0.121) 4.133 11.518 ( -1.005 18.439 -4.430) 18.990 15.157 ( -5.742 -0.526 -0.968) 5.847 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 2.336 -6.795 -4.031) 8.239 2.495 ( 8.957 -6.744 -0.114) 11.213 3.437 ( 12.571 -8.396 3.008) 15.413 3.521 ( 1.783 -2.293 9.525) 9.958 4.041 ( -1.579 -2.693 -5.822) 6.606 5.457 ( 1.381 -19.188 -2.083) 19.351 8.766 ( -5.334 -9.229 -0.050) 10.660 9.067 ( 9.112 -16.557 -0.191) 18.899 10.520 ( 4.552 8.701 4.209) 10.684 10.654 ( 4.285 9.393 10.637) 14.824 11.641 ( -3.740 18.343 -8.157) 20.420 15.029 ( -8.848 1.121 0.905) 8.964 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 4.558 -7.465 -4.642) 9.902 2.566 ( 8.345 -9.924 -0.801) 12.991 3.508 ( -0.802 -0.922 10.052) 10.126 3.582 ( 13.821 -17.063 1.137) 21.988 3.994 ( -1.079 0.728 -4.894) 5.064 5.323 ( 5.683 -17.469 -1.755) 18.454 8.598 ( -3.600 -7.258 -0.016) 8.102 9.041 ( 9.119 -19.282 -1.572) 21.387 10.687 ( 7.352 -0.185 1.112) 7.438 10.821 ( -3.584 13.370 16.852) 21.808 11.712 ( -5.559 18.803 -12.234) 23.111 14.904 ( -8.437 3.384 3.426) 9.714 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 6.931 -7.213 -4.759) 11.078 2.567 ( 5.222 -12.530 -0.832) 13.600 3.510 ( 3.311 -9.184 6.985) 12.004 3.609 ( 6.195 -12.077 3.565) 14.034 3.974 ( -1.628 2.226 -4.637) 5.395 5.312 ( 11.665 -13.964 -1.485) 18.256 8.526 ( 2.364 -4.948 2.449) 6.005 9.003 ( 9.366 -19.272 -0.404) 21.431 10.702 ( -1.126 -7.660 0.099) 7.743 10.924 ( -7.400 16.574 15.331) 23.759 11.737 ( -7.849 16.242 -14.471) 23.126 14.843 ( -4.852 5.028 5.413) 8.838 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -0.000 -4.924 -0.111) 4.925 2.367 ( -0.000 -7.700 -3.332) 8.391 3.119 ( -0.000 -10.409 0.476) 10.420 3.545 ( 0.000 1.419 12.313) 12.395 4.071 ( -0.000 -4.452 -5.272) 6.900 5.431 ( -0.000 -22.692 -2.589) 22.839 8.771 ( -0.000 -13.756 1.470) 13.834 8.983 ( -0.000 -9.612 0.487) 9.624 10.449 ( -0.000 -0.067 -1.241) 1.243 10.561 ( 0.000 20.709 16.015) 26.179 11.706 ( 0.000 20.357 -7.675) 21.755 15.195 ( -0.000 -0.661 -1.112) 1.294 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 1.049 -9.227 -4.514) 10.326 2.306 ( 4.943 -6.728 -0.651) 8.374 3.098 ( 9.884 -12.492 0.557) 15.939 3.549 ( -0.841 -5.759 8.807) 10.556 4.031 ( -0.591 0.174 -1.844) 1.944 5.194 ( 1.895 -25.773 -2.786) 25.993 8.661 ( 3.668 -16.314 -0.567) 16.731 8.866 ( -1.892 -9.333 -1.815) 9.694 10.476 ( 2.562 2.086 -0.152) 3.308 10.847 ( 1.258 20.665 21.865) 30.112 11.861 ( -2.434 20.761 -11.498) 23.857 15.150 ( -4.322 0.245 -0.050) 4.329 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 3.340 -10.609 -5.024) 12.205 2.334 ( 7.113 -9.079 -1.526) 11.634 3.175 ( 13.842 -15.688 0.535) 20.928 3.480 ( 0.624 -9.870 4.891) 11.033 4.037 ( -1.346 3.680 1.749) 4.291 4.993 ( 6.340 -25.914 -2.721) 26.817 8.555 ( 2.003 -13.722 -2.186) 14.038 8.748 ( 0.969 -11.248 -1.114) 11.344 10.566 ( 5.121 1.131 0.606) 5.279 11.102 ( -2.274 17.178 23.698) 29.357 11.965 ( -5.049 21.708 -15.474) 27.133 15.068 ( -6.336 1.856 2.209) 6.962 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 6.673 -10.911 -4.779) 13.653 2.344 ( 6.310 -11.449 -1.631) 13.174 3.217 ( 10.202 -19.420 1.022) 21.960 3.445 ( 5.640 -9.045 2.814) 11.025 4.056 ( -2.565 5.105 2.793) 6.360 4.906 ( 13.146 -23.106 -2.536) 26.704 8.468 ( 1.946 -8.698 -0.476) 8.926 8.673 ( 4.835 -13.483 0.395) 14.329 10.636 ( 2.217 -1.978 0.256) 2.982 11.251 ( -5.774 13.819 22.103) 26.699 12.017 ( -8.402 21.583 -18.775) 29.815 14.997 ( -5.917 3.242 4.922) 8.351 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -0.000 -11.639 -5.589) 12.911 2.189 ( -0.000 -8.039 -1.268) 8.139 2.886 ( -0.000 -13.079 0.691) 13.097 3.474 ( -0.000 -13.520 3.381) 13.936 4.058 ( 0.000 3.029 3.921) 4.954 4.886 ( -0.000 -29.955 -3.461) 30.154 8.440 ( -0.000 -19.297 -0.554) 19.305 8.812 ( -0.000 -4.908 -4.623) 6.742 10.490 ( 0.000 4.252 0.524) 4.284 11.116 ( 0.000 19.615 27.323) 33.635 12.056 ( -0.000 22.329 -14.969) 26.882 15.187 ( 0.000 0.168 -0.089) 0.190 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 1.708 -13.784 -6.270) 15.239 2.134 ( 4.439 -10.168 -2.217) 11.314 2.832 ( 8.353 -14.225 0.707) 16.511 3.333 ( 1.438 -16.753 0.593) 16.825 4.098 ( -0.161 1.421 7.226) 7.367 4.606 ( 4.026 -29.791 -4.321) 30.371 8.281 ( 4.591 -20.315 -1.601) 20.889 8.742 ( -3.087 -0.690 -4.101) 5.179 10.549 ( 1.002 4.827 1.173) 5.068 11.366 ( -1.056 13.864 28.093) 31.346 12.214 ( -2.923 24.819 -17.283) 30.385 15.166 ( -2.839 0.816 1.198) 3.188 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 5.345 -15.016 -5.770) 16.951 2.113 ( 6.474 -12.133 -2.490) 13.976 2.856 ( 10.575 -16.230 0.725) 19.385 3.227 ( 5.721 -15.874 -0.217) 16.875 4.127 ( 1.713 -2.442 8.626) 9.127 4.431 ( 9.066 -24.546 -5.495) 26.737 8.185 ( 8.076 -19.638 -1.868) 21.316 8.674 ( -4.983 2.740 -1.181) 5.808 10.614 ( 0.953 3.111 1.083) 3.429 11.510 ( -3.370 7.705 24.236) 25.653 12.334 ( -7.243 26.405 -18.015) 32.775 15.124 ( -4.126 1.734 3.569) 5.724 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -0.000 -16.268 -7.871) 18.072 1.969 ( -0.000 -13.322 -2.973) 13.650 2.628 ( -0.000 -12.898 0.997) 12.936 3.127 ( -0.000 -20.911 -1.155) 20.943 4.034 ( -0.000 -23.614 7.923) 24.908 4.337 ( -0.000 -9.644 -3.804) 10.367 8.035 ( -0.000 -20.124 -1.479) 20.179 8.773 ( -0.000 4.514 -4.982) 6.723 10.609 ( 0.000 6.773 1.307) 6.898 11.566 ( 0.000 6.825 26.993) 27.842 12.454 ( 0.000 28.618 -15.563) 32.576 15.195 ( 0.000 0.123 1.165) 1.171 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 2.715 -18.296 -7.897) 20.111 1.862 ( 5.490 -15.817 -3.420) 17.089 2.567 ( 6.274 -12.487 0.942) 14.007 2.943 ( 4.771 -22.037 -1.411) 22.591 3.791 ( 8.227 -36.323 3.409) 37.398 4.312 ( -0.937 2.141 0.396) 2.371 7.876 ( 4.560 -18.912 -1.543) 19.515 8.802 ( -3.241 9.073 -3.163) 10.140 10.670 ( -1.199 6.236 1.403) 6.503 11.657 ( -1.329 0.104 20.707) 20.750 12.673 ( -4.542 30.389 -12.078) 33.015 15.187 ( -1.307 -0.028 2.372) 2.708 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -0.000 -20.284 -9.452) 22.378 1.614 ( -0.000 -20.307 -4.326) 20.763 2.407 ( -0.000 -9.768 0.904) 9.810 2.642 ( -0.000 -28.067 -1.191) 28.092 3.342 ( -0.000 -38.722 1.983) 38.773 4.352 ( 0.000 2.901 1.416) 3.228 7.654 ( -0.000 -16.972 -1.251) 17.018 8.938 ( 0.000 14.191 -2.176) 14.356 10.759 ( 0.000 7.193 1.169) 7.287 11.688 ( 0.000 -6.261 14.198) 15.517 13.000 ( 0.000 31.744 -5.894) 32.287 15.192 ( 0.000 -1.868 2.158) 2.854 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -0.000 -0.000 21.947) 21.947 0.410 ( 0.000 -0.000 21.947) 21.947 0.870 ( 0.000 -0.000 47.159) 47.159 2.103 ( -0.000 0.000 -2.698) 2.698 2.103 ( -0.000 0.000 -2.698) 2.698 5.168 ( -0.000 0.000 -9.069) 9.069 7.147 ( 0.000 -0.000 1.897) 1.897 7.147 ( 0.000 -0.000 1.897) 1.897 11.013 ( 0.000 0.000 -1.059) 1.059 11.013 ( 0.000 0.000 -1.059) 1.059 14.397 ( 0.000 -0.000 0.838) 0.838 14.573 ( -0.000 0.000 -0.422) 0.422 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 18.012 10.399 12.474) 24.252 0.855 ( 13.520 7.806 24.347) 28.922 1.346 ( 31.139 17.978 26.868) 44.886 2.124 ( 2.700 1.559 -3.113) 4.406 2.249 ( 12.517 7.227 -3.275) 14.820 4.563 ( -14.484 -8.362 5.468) 17.596 7.210 ( 4.964 2.866 2.067) 6.093 8.923 ( 59.462 34.331 -51.192) 85.644 10.809 ( -7.961 -4.597 -10.847) 14.219 10.980 ( -2.665 -1.538 -1.062) 3.255 14.229 ( -14.730 -8.505 6.179) 18.097 14.772 ( 12.662 7.310 -9.946) 17.683 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 20.100 11.605 7.005) 24.244 1.194 ( 11.410 6.588 22.036) 25.674 2.181 ( 31.825 18.374 14.381) 39.462 2.208 ( 5.536 3.196 -3.375) 7.229 2.651 ( 24.359 14.064 -3.232) 28.312 4.377 ( -4.830 -2.789 -3.333) 6.497 7.384 ( 9.580 5.531 1.877) 11.220 9.292 ( -8.933 -5.158 -2.590) 10.635 10.860 ( 16.589 9.577 -35.791) 40.594 10.890 ( -4.713 -2.721 -0.988) 5.531 13.859 ( -19.360 -11.178 12.912) 25.817 14.945 ( 5.192 2.997 -11.810) 13.244 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 13.034 7.525 14.915) 21.189 1.614 ( 16.987 9.807 4.588) 20.144 2.360 ( 8.736 5.044 -3.250) 10.598 2.787 ( 19.597 11.315 7.416) 23.813 3.345 ( 33.832 19.533 -1.968) 39.116 4.283 ( -2.048 -1.182 -5.075) 5.599 7.654 ( 13.493 7.790 1.269) 15.632 8.927 ( -18.187 -10.500 2.013) 21.096 10.768 ( -5.526 -3.190 -0.742) 6.424 11.125 ( 12.680 7.321 -30.809) 34.111 13.440 ( -21.239 -12.262 18.138) 30.503 14.956 ( -0.439 -0.253 -12.374) 12.384 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 14.091 8.136 9.729) 18.958 1.953 ( 11.677 6.742 2.626) 13.737 2.588 ( 11.702 6.756 -2.368) 13.718 3.181 ( 13.670 7.892 2.838) 16.038 3.961 ( 13.949 8.054 -10.153) 19.040 4.365 ( 16.024 9.251 4.121) 18.956 7.997 ( 15.910 9.186 0.288) 18.374 8.575 ( -11.456 -6.614 -1.983) 13.377 10.644 ( -4.969 -2.869 -0.220) 5.741 11.212 ( 2.232 1.289 -24.135) 24.272 12.993 ( -23.242 -13.419 19.867) 33.391 14.886 ( -1.708 -0.986 -11.110) 11.284 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 7.526 4.345 0.993) 8.747 2.224 ( 13.764 7.947 6.949) 17.346 2.858 ( 11.904 6.873 -1.289) 13.805 3.416 ( 6.757 3.901 -4.637) 9.076 4.033 ( 0.934 0.539 -4.359) 4.491 4.914 ( 24.318 14.040 3.885) 28.347 8.365 ( 15.983 9.228 -0.943) 18.480 8.420 ( -0.856 -0.494 -5.128) 5.223 10.548 ( -3.350 -1.934 0.634) 3.920 11.100 ( -5.668 -3.272 -18.672) 19.786 12.484 ( -26.150 -15.098 16.403) 34.363 14.840 ( 0.410 0.236 -7.071) 7.086 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 4.988 2.880 0.082) 5.760 2.542 ( 12.302 7.102 5.582) 15.262 3.104 ( 9.497 5.483 -0.660) 10.986 3.455 ( -0.649 -0.375 -12.696) 12.718 4.064 ( 1.915 1.106 3.943) 4.521 5.415 ( 18.316 10.575 2.486) 21.296 8.505 ( 9.629 5.559 -6.840) 13.054 8.702 ( 13.481 7.783 -2.166) 15.717 10.497 ( -1.464 -0.845 1.688) 2.389 10.868 ( -10.133 -5.850 -12.170) 16.882 11.911 ( -26.696 -15.413 9.936) 32.388 14.863 ( 2.569 1.483 -2.326) 3.770 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 2.988 1.725 -0.336) 3.467 2.817 ( 10.238 5.911 4.464) 12.636 3.280 ( 5.988 3.457 -0.350) 6.923 3.344 ( -4.594 -2.653 -14.167) 15.128 4.126 ( 1.704 0.984 5.642) 5.975 5.760 ( 11.260 6.501 1.745) 13.119 8.801 ( 17.692 10.214 -8.059) 21.961 8.955 ( 9.183 5.302 -2.907) 10.995 10.485 ( -0.424 -0.245 2.494) 2.542 10.556 ( -15.815 -9.131 -3.113) 18.526 11.388 ( -18.801 -10.855 2.790) 21.888 14.927 ( 2.900 1.674 1.194) 3.555 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 1.063 0.614 -0.484) 1.319 2.981 ( 0.309 0.178 -1.606) 1.645 3.246 ( 2.885 1.666 -7.615) 8.312 3.372 ( 2.114 1.221 -0.174) 2.448 4.158 ( -0.570 -0.329 4.528) 4.575 5.936 ( 3.614 2.087 1.324) 4.378 9.100 ( 4.182 2.414 -2.714) 5.539 9.238 ( 21.986 12.694 -10.147) 27.340 10.122 ( -21.051 -12.154 5.589) 24.942 10.481 ( -0.790 -0.456 2.533) 2.693 11.124 ( -4.675 -2.699 -1.258) 5.542 14.990 ( 1.768 1.021 3.439) 3.999 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( -0.893 -0.516 -0.460) 1.130 2.839 ( -8.178 -4.722 -7.256) 11.909 3.375 ( -1.822 -1.052 -0.040) 2.104 3.426 ( 10.823 6.248 -0.958) 12.534 4.119 ( -4.014 -2.318 3.468) 5.789 5.931 ( -4.421 -2.552 1.113) 5.225 9.127 ( -1.346 -0.777 -1.573) 2.211 9.493 ( -10.808 -6.240 -1.099) 12.529 9.915 ( 15.642 9.031 -1.462) 18.121 10.460 ( -1.502 -0.867 1.675) 2.412 11.131 ( 4.735 2.734 -0.678) 5.509 15.027 ( 0.418 0.241 5.026) 5.049 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -2.912 -1.681 -0.291) 3.375 2.616 ( -9.433 -5.446 -5.802) 12.342 3.290 ( -5.614 -3.241 0.088) 6.483 3.680 ( 11.296 6.522 -1.469) 13.126 3.995 ( -7.706 -4.449 3.293) 9.488 5.742 ( -12.319 -7.112 1.011) 14.260 9.023 ( -7.700 -4.446 -0.015) 8.892 9.133 ( -16.496 -9.524 7.874) 20.611 10.434 ( -0.738 -0.426 0.330) 0.914 10.445 ( 27.179 15.692 -10.103) 32.970 11.302 ( 9.508 5.490 0.118) 10.980 15.047 ( 0.042 0.024 6.284) 6.284 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -5.120 -2.956 0.064) 5.912 2.372 ( -10.811 -6.242 -3.075) 12.856 3.123 ( -8.940 -5.161 0.204) 10.325 3.782 ( -10.515 -6.071 -0.686) 12.161 3.926 ( 9.361 5.405 1.247) 10.881 5.376 ( -19.938 -11.511 0.916) 23.041 8.777 ( -13.731 -7.928 1.135) 15.896 8.839 ( -11.081 -6.398 9.126) 15.716 10.442 ( 1.666 0.962 -0.752) 2.066 11.049 ( 28.493 16.450 -12.718) 35.273 11.532 ( 9.807 5.662 1.063) 11.373 15.076 ( 0.953 0.550 6.838) 6.926 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -13.007 -7.510 0.408) 15.025 2.170 ( -7.967 -4.599 0.766) 9.231 2.891 ( -11.107 -6.412 0.203) 12.827 3.494 ( -14.565 -8.409 0.552) 16.828 4.121 ( 7.355 4.246 -2.029) 8.731 4.839 ( -27.110 -15.652 1.251) 31.329 8.420 ( -17.276 -9.974 1.513) 20.006 8.694 ( -3.625 -2.093 7.809) 8.860 10.507 ( 4.231 2.443 -1.212) 5.034 11.629 ( 21.740 12.552 -27.997) 37.603 11.766 ( 13.669 7.892 16.764) 23.025 15.131 ( 2.021 1.167 5.788) 6.241 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -15.607 -9.010 4.464) 18.565 1.946 ( -12.276 -7.087 2.138) 14.335 2.634 ( -10.950 -6.322 -0.164) 12.645 3.119 ( -18.403 -10.625 0.444) 21.255 4.101 ( -26.194 -15.123 -6.474) 30.932 4.300 ( -2.135 -1.233 4.162) 4.838 8.022 ( -17.427 -10.061 1.413) 20.172 8.727 ( 4.813 2.779 5.093) 7.538 10.621 ( 5.887 3.399 -1.260) 6.913 11.765 ( 2.215 1.279 -14.093) 14.323 12.349 ( 27.635 15.955 4.959) 32.293 15.189 ( 1.429 0.825 2.636) 3.110 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 0.000 21.455 15.052) 26.208 0.920 ( 0.000 24.505 17.172) 29.923 1.377 ( 0.000 25.743 33.089) 41.924 2.117 ( -0.000 3.255 -3.588) 4.844 2.231 ( 0.000 14.041 -3.745) 14.532 4.575 ( -0.000 -18.194 3.429) 18.514 7.217 ( 0.000 5.840 2.261) 6.262 8.733 ( -0.000 68.223 -44.397) 81.397 10.866 ( -0.000 -3.528 -10.537) 11.112 10.969 ( -0.000 -3.494 -1.409) 3.767 14.229 ( -0.000 -18.611 5.926) 19.532 14.733 ( -0.000 13.312 -8.561) 15.827 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 6.332 22.414 11.000) 25.758 1.234 ( 4.663 14.250 22.419) 26.971 1.978 ( 22.187 29.182 18.248) 40.949 2.172 ( 2.940 5.442 -3.773) 7.245 2.491 ( 12.125 19.776 -4.042) 23.546 4.403 ( -3.901 -6.787 -3.008) 8.387 7.338 ( 4.794 8.728 2.309) 10.222 9.226 ( 9.353 7.094 -12.463) 17.121 10.747 ( -3.753 8.479 -23.750) 25.496 10.939 ( -0.596 0.901 -6.450) 6.540 13.970 ( -8.372 -21.251 10.651) 25.202 14.876 ( 4.497 8.309 -11.241) 14.684 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 7.777 12.710 17.198) 22.755 1.549 ( 9.251 18.007 8.873) 22.103 2.301 ( 5.558 8.584 -3.774) 10.901 2.618 ( 18.297 16.826 9.509) 26.614 3.046 ( 25.824 27.056 -2.290) 37.472 4.289 ( -2.425 -2.555 -6.114) 7.056 7.564 ( 8.919 11.513 2.079) 14.711 9.093 ( -12.786 -13.763 3.418) 19.094 10.748 ( 1.559 -3.076 -8.676) 9.336 10.985 ( 4.337 13.301 -26.050) 29.569 13.618 ( -12.527 -20.975 15.552) 28.961 14.937 ( 0.005 3.433 -12.348) 12.816 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 9.455 11.010 13.179) 19.604 1.892 ( 8.634 13.860 4.646) 16.977 2.512 ( 8.023 12.461 -2.942) 15.109 3.042 ( 13.873 10.497 4.214) 17.899 3.734 ( 22.617 19.167 -6.326) 30.314 4.273 ( 4.846 4.550 -1.267) 6.767 7.876 ( 11.871 13.794 1.514) 18.261 8.720 ( -14.506 -10.239 0.794) 17.773 10.679 ( -2.499 -4.002 -1.378) 4.915 11.093 ( 4.652 4.761 -25.976) 26.815 13.222 ( -15.858 -20.416 18.240) 31.638 14.890 ( -2.895 1.018 -11.865) 12.256 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 10.661 10.008 8.122) 16.727 2.141 ( 6.049 9.909 3.340) 12.080 2.789 ( 8.702 14.709 -1.651) 17.170 3.320 ( 8.395 5.236 -1.953) 10.085 3.987 ( 3.688 2.296 -7.924) 9.036 4.677 ( 22.210 17.392 4.426) 28.554 8.235 ( 12.509 14.219 0.662) 18.950 8.462 ( -6.545 -2.509 -2.712) 7.516 10.596 ( -3.496 -1.307 -0.125) 3.734 11.058 ( -0.853 -3.488 -20.838) 21.145 12.768 ( -20.352 -19.879 16.470) 32.872 14.821 ( -1.331 0.089 -8.636) 8.738 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 3.152 8.171 0.770) 8.792 2.429 ( 11.383 8.237 6.832) 15.624 3.067 ( 6.709 14.539 -0.910) 16.038 3.411 ( 1.547 0.356 -10.424) 10.544 4.042 ( 2.851 1.349 1.124) 3.349 5.214 ( 19.603 13.640 2.940) 24.062 8.406 ( 4.273 2.637 -4.096) 6.480 8.610 ( 10.519 15.543 -1.109) 18.801 10.537 ( -3.035 0.383 0.631) 3.123 10.894 ( -5.137 -6.878 -15.137) 17.402 12.231 ( -24.726 -17.997 11.102) 32.535 14.808 ( 2.438 -0.736 -3.756) 4.538 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 1.079 7.174 0.022) 7.255 2.709 ( 10.589 6.272 5.172) 13.349 3.282 ( 2.689 10.137 -2.900) 10.881 3.351 ( -2.636 1.061 -11.762) 12.100 4.112 ( 2.550 0.549 5.176) 5.796 5.620 ( 14.029 8.319 2.103) 16.445 8.594 ( 13.271 7.350 -5.471) 16.127 8.909 ( 7.128 14.181 -2.170) 16.020 10.498 ( -1.815 -0.765 1.192) 2.302 10.669 ( -9.023 -7.483 -7.592) 13.966 11.672 ( -24.001 -11.989 4.978) 27.287 14.857 ( 4.958 -1.974 0.360) 5.349 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -0.918 6.203 -0.366) 6.281 2.931 ( 6.763 2.737 2.373) 7.672 3.212 ( -1.958 -1.303 -12.296) 12.518 3.439 ( -1.455 12.288 -0.372) 12.379 4.159 ( 1.102 -1.172 5.141) 5.386 5.869 ( 7.616 3.142 1.637) 8.400 8.949 ( 19.590 9.463 -6.892) 22.821 9.111 ( 2.435 11.288 -3.267) 12.001 10.355 ( -16.813 -9.127 3.251) 19.405 10.472 ( 0.213 -3.202 -0.123) 3.212 11.277 ( -14.127 -0.619 -0.252) 14.143 14.927 ( 5.262 -3.287 3.000) 6.891 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -2.866 4.921 -0.520) 5.718 2.897 ( -6.156 -4.221 -6.755) 10.066 3.297 ( 9.828 5.171 -2.951) 11.491 3.490 ( -5.650 10.296 -0.132) 11.745 4.149 ( -1.471 -3.265 4.341) 5.627 5.950 ( 0.323 -1.632 1.383) 2.163 9.184 ( -2.726 6.165 -2.226) 7.099 9.356 ( 17.804 4.221 -9.521) 20.627 9.990 ( -14.853 -2.474 7.444) 16.797 10.462 ( 1.305 -2.049 1.126) 2.678 11.161 ( -3.615 6.173 -1.623) 7.335 14.983 ( 4.212 -4.147 4.627) 7.507 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( -4.660 3.168 -0.498) 5.657 2.702 ( -8.527 -4.331 -6.225) 11.412 3.446 ( -9.353 7.613 -0.193) 12.061 3.534 ( 11.370 5.700 -2.882) 13.041 4.067 ( -4.776 -5.121 4.340) 8.238 5.855 ( -7.550 -5.666 1.287) 9.527 9.110 ( -7.116 -3.345 -0.321) 7.870 9.337 ( -12.379 -5.592 2.159) 13.754 10.126 ( 18.668 12.516 -4.588) 22.939 10.480 ( 0.348 3.125 0.359) 3.165 11.234 ( 4.492 6.689 -0.841) 8.101 15.020 ( 3.158 -4.075 5.664) 7.659 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -6.284 0.554 -0.393) 6.321 2.490 ( -9.966 -3.405 -3.494) 11.096 3.314 ( -13.135 5.024 0.085) 14.064 3.761 ( 9.020 3.604 -8.216) 12.723 3.923 ( -6.075 -5.129 8.181) 11.408 5.588 ( -15.665 -8.820 1.266) 18.021 8.896 ( -9.611 -9.192 3.621) 13.783 9.058 ( -16.127 -2.316 3.853) 16.741 10.430 ( 2.915 2.875 -0.645) 4.145 10.717 ( 22.404 15.821 -11.178) 29.617 11.419 ( 9.473 5.157 1.229) 10.855 15.053 ( 2.987 -2.961 5.988) 7.318 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -10.679 -5.169 -0.222) 11.866 2.298 ( -9.548 0.192 0.263) 9.554 3.102 ( -15.654 2.286 0.150) 15.821 3.646 ( -11.353 -6.707 -1.593) 13.282 4.015 ( 8.591 3.209 -0.182) 9.172 5.153 ( -23.896 -11.226 1.425) 26.440 8.634 ( -14.587 -6.848 2.457) 16.301 8.789 ( -10.286 -4.322 5.899) 12.620 10.483 ( 1.359 3.864 -0.871) 4.188 11.260 ( 26.004 13.949 -20.635) 36.008 11.655 ( 11.658 3.908 9.374) 15.461 15.103 ( 3.391 -1.457 4.961) 6.183 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -14.342 -5.890 3.473) 15.888 2.117 ( -11.671 -1.596 1.577) 11.885 2.836 ( -16.245 0.150 -0.131) 16.246 3.335 ( -16.322 -7.368 0.172) 17.908 4.158 ( 4.528 1.651 -5.474) 7.293 4.570 ( -29.773 -12.085 3.433) 32.315 8.266 ( -19.800 -6.444 1.634) 20.886 8.699 ( 0.814 -1.757 5.144) 5.496 10.560 ( 3.847 3.395 -1.283) 5.289 11.615 ( 11.539 4.223 -25.653) 28.443 12.060 ( 23.964 10.010 15.833) 30.416 15.162 ( 2.994 -0.692 2.073) 3.707 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 0.000 21.365 10.616) 23.857 1.420 ( 0.000 15.693 21.024) 26.235 2.163 ( 0.000 33.178 16.675) 37.132 2.189 ( -0.000 6.565 -4.487) 7.951 2.611 ( 0.000 27.574 -4.130) 27.882 4.353 ( -0.000 -6.326 -5.035) 8.085 7.405 ( 0.000 11.691 2.318) 11.919 9.180 ( -0.000 1.772 -4.185) 4.545 10.863 ( -0.000 -6.063 -1.554) 6.259 10.870 ( -0.000 14.757 -31.886) 35.135 13.829 ( -0.000 -25.932 12.053) 28.596 14.898 ( -0.000 9.438 -11.205) 14.651 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 2.697 16.643 13.759) 21.762 1.656 ( 3.537 16.631 13.892) 21.956 2.292 ( 4.574 9.503 -4.385) 11.422 2.593 ( 9.717 22.348 9.467) 26.143 3.016 ( 12.125 34.532 -2.432) 36.679 4.273 ( -1.235 -2.910 -6.747) 7.450 7.583 ( 4.762 14.434 2.308) 15.373 9.111 ( -4.147 -12.200 4.516) 13.654 10.722 ( -4.310 -1.605 -9.179) 10.267 10.969 ( 3.441 9.754 -26.137) 28.109 13.567 ( -4.569 -26.455 14.937) 30.722 14.950 ( -0.110 6.268 -11.755) 13.322 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 4.194 12.677 14.358) 19.608 1.938 ( 5.776 15.305 6.809) 17.720 2.507 ( 7.868 14.470 -3.240) 16.786 2.963 ( 10.143 14.052 3.892) 17.762 3.596 ( 16.773 26.646 -4.832) 31.854 4.251 ( 2.182 4.385 -3.352) 5.935 7.862 ( 8.559 17.020 2.374) 19.198 8.847 ( -11.833 -11.907 2.987) 17.051 10.645 ( 0.048 -3.233 -4.238) 5.331 11.010 ( 2.015 4.111 -25.159) 25.572 13.247 ( -8.152 -25.860 16.889) 31.944 14.931 ( -3.355 3.272 -11.634) 12.542 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 6.863 11.322 10.594) 16.957 2.178 ( 4.505 11.895 4.300) 13.426 2.810 ( 8.511 18.406 -1.787) 20.357 3.231 ( 7.896 6.994 -1.466) 10.649 3.920 ( 5.437 6.101 -8.751) 11.973 4.543 ( 16.107 19.990 3.812) 25.953 8.211 ( 10.038 18.204 2.344) 20.920 8.566 ( -9.784 -4.438 -0.680) 10.765 10.618 ( -0.086 -1.152 -1.100) 1.595 10.958 ( 0.106 -3.849 -21.787) 22.125 12.873 ( -12.173 -24.837 16.074) 31.991 14.847 ( -4.379 1.123 -9.802) 10.794 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 3.110 11.226 1.773) 11.783 2.368 ( 8.155 8.888 8.652) 14.844 3.124 ( 6.409 18.651 -1.231) 19.760 3.351 ( 3.228 1.699 -8.711) 9.444 4.008 ( 3.334 2.916 -0.986) 4.537 5.049 ( 17.706 16.996 2.919) 24.716 8.396 ( -1.246 2.191 -1.244) 2.810 8.623 ( 8.633 19.243 0.550) 21.098 10.601 ( -2.532 1.779 -0.768) 3.189 10.823 ( -1.203 -8.062 -16.523) 18.424 12.431 ( -17.100 -22.238 11.985) 30.506 14.769 ( -1.401 -1.222 -6.045) 6.325 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 0.658 10.330 1.123) 10.412 2.623 ( 8.931 7.202 6.122) 13.004 3.285 ( -0.001 -0.157 -11.176) 11.177 3.436 ( 2.142 17.255 -2.571) 17.577 4.090 ( 2.609 1.604 4.017) 5.051 5.469 ( 14.454 10.116 2.089) 17.765 8.476 ( 6.831 6.538 -2.410) 9.758 8.957 ( 6.725 19.075 0.081) 20.226 10.530 ( -3.893 -3.436 -5.651) 7.675 10.697 ( -3.425 -2.518 -5.261) 6.763 11.941 ( -20.016 -15.878 6.318) 26.318 14.746 ( 3.185 -4.067 -1.853) 5.488 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -1.670 10.004 0.266) 10.146 2.844 ( 7.882 4.092 3.997) 9.739 3.198 ( -2.384 -1.960 -12.908) 13.272 3.626 ( -1.388 18.442 -0.409) 18.499 4.142 ( 1.048 -0.400 4.866) 4.994 5.753 ( 10.059 3.629 1.713) 10.829 8.731 ( 14.075 9.000 -3.405) 17.050 9.206 ( 1.958 15.492 -1.016) 15.648 10.413 ( -0.267 -6.958 -5.421) 8.825 10.561 ( -12.169 -0.558 2.640) 12.464 11.529 ( -15.970 -4.054 0.833) 16.498 14.778 ( 6.391 -6.587 1.356) 9.278 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -4.116 8.662 -0.379) 9.598 2.921 ( -2.015 -2.364 -3.673) 4.810 3.189 ( 6.056 4.050 -5.669) 9.231 3.739 ( -6.059 17.017 0.186) 18.065 4.143 ( -0.733 -2.792 4.220) 5.113 5.895 ( 4.651 -1.701 1.516) 5.179 9.071 ( 16.141 5.593 -6.131) 18.149 9.316 ( -2.590 9.820 -0.240) 10.159 10.287 ( -16.657 -1.410 4.353) 17.274 10.386 ( 2.643 -1.306 -0.653) 3.020 11.332 ( -8.705 5.468 -2.199) 10.513 14.833 ( 7.358 -7.960 3.359) 11.348 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( -6.022 4.918 -1.017) 7.841 2.794 ( -7.373 -0.683 -5.192) 9.044 3.376 ( 10.540 4.438 -3.818) 12.057 3.754 ( -10.995 15.270 0.680) 18.829 4.087 ( -2.656 -5.185 3.933) 7.029 5.887 ( -1.902 -5.466 1.392) 5.953 9.146 ( -2.937 -8.397 -3.078) 9.413 9.435 ( 1.086 7.916 -0.048) 7.990 10.109 ( -3.786 8.442 0.677) 9.277 10.471 ( 4.016 4.653 1.614) 6.355 11.285 ( -3.129 6.278 -2.801) 7.553 14.889 ( 6.913 -7.823 4.381) 11.322 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -7.004 -0.636 -1.504) 7.192 2.648 ( -9.877 3.401 -2.445) 10.728 3.573 ( 6.048 4.069 -6.048) 9.472 3.680 ( -10.873 11.878 -0.068) 16.104 3.980 ( -4.380 -6.425 5.716) 9.650 5.730 ( -9.423 -7.502 1.318) 12.117 8.945 ( -7.018 -11.249 1.906) 13.395 9.341 ( -15.001 1.800 1.634) 15.196 10.348 ( 13.720 12.592 -5.033) 19.291 10.600 ( 3.846 9.171 -0.637) 9.965 11.338 ( 4.584 3.581 -1.195) 5.938 14.944 ( 6.275 -6.334 4.421) 9.952 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -8.600 -2.787 -0.132) 9.041 2.498 ( -11.372 3.485 -0.374) 11.900 3.455 ( -18.357 8.056 -0.040) 20.047 3.704 ( -1.859 -2.701 -8.877) 9.463 3.921 ( 3.680 -0.696 6.944) 7.890 5.423 ( -17.767 -8.090 1.354) 19.569 8.731 ( -6.557 -9.108 3.497) 11.755 9.045 ( -19.275 -1.258 2.002) 19.419 10.543 ( -1.372 8.138 -0.484) 8.267 10.917 ( 21.737 11.441 -13.847) 28.199 11.507 ( 11.190 2.097 5.164) 12.501 15.008 ( 5.944 -4.298 3.173) 7.992 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -11.835 -2.870 2.611) 12.455 2.322 ( -12.027 1.333 1.025) 12.144 3.178 ( -20.438 4.240 -0.072) 20.874 3.513 ( -11.400 -5.038 -2.374) 12.687 4.054 ( 7.348 1.457 -1.807) 7.706 4.971 ( -26.272 -7.458 1.983) 27.382 8.534 ( -12.800 -4.897 2.447) 13.922 8.732 ( -10.711 -3.777 2.234) 11.575 10.573 ( -1.224 5.008 -0.809) 5.219 11.321 ( 18.812 6.254 -24.327) 31.382 11.820 ( 18.813 4.769 16.455) 25.444 15.077 ( 5.336 -2.897 0.407) 6.085 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 0.000 16.177 7.408) 17.792 1.822 ( 0.000 13.163 17.803) 22.141 2.331 ( 0.000 10.992 -4.697) 11.953 2.766 ( 0.000 21.701 6.450) 22.640 3.273 ( 0.000 37.181 -2.275) 37.251 4.243 ( -0.000 -0.258 -6.515) 6.520 7.701 ( 0.000 16.609 1.829) 16.710 9.048 ( -0.000 -11.494 6.129) 13.026 10.721 ( -0.000 -7.086 -1.314) 7.206 10.923 ( -0.000 8.371 -33.263) 34.300 13.377 ( -0.000 -28.000 16.049) 32.273 14.984 ( -0.000 6.504 -11.189) 12.942 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 1.880 12.059 9.034) 15.185 2.022 ( 3.107 12.298 11.510) 17.128 2.504 ( 7.076 14.369 -3.447) 16.383 3.009 ( 3.635 16.418 2.205) 16.960 3.659 ( 6.153 26.715 -5.603) 27.981 4.273 ( 1.834 9.902 -2.073) 10.281 7.925 ( 5.272 18.489 1.713) 19.302 8.903 ( -6.244 -10.074 4.013) 12.513 10.616 ( -2.181 -4.470 -3.378) 6.012 10.914 ( 2.925 0.207 -26.231) 26.394 13.121 ( -3.178 -28.124 16.592) 32.808 14.990 ( -2.476 4.864 -10.655) 11.971 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 4.051 10.501 8.493) 14.100 2.227 ( 4.352 10.100 7.263) 13.179 2.818 ( 11.009 17.594 -1.845) 20.836 3.200 ( 3.675 8.626 -3.205) 9.909 3.890 ( 3.579 8.806 -7.382) 12.035 4.552 ( 9.339 24.050 3.163) 25.993 8.247 ( 8.806 19.707 2.188) 21.695 8.689 ( -9.358 -4.408 -0.011) 10.344 10.575 ( 2.017 -1.715 -1.997) 3.316 10.844 ( 0.533 -6.034 -20.852) 21.714 12.812 ( -6.249 -27.823 15.461) 32.438 14.926 ( -5.613 2.767 -9.618) 11.475 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 5.994 9.290 7.997) 13.645 2.414 ( 4.169 9.397 4.221) 11.113 3.179 ( 8.657 18.250 -1.641) 20.266 3.284 ( 3.653 2.433 -8.726) 9.768 3.991 ( 2.741 5.307 -1.247) 6.102 4.985 ( 12.070 20.964 2.597) 24.330 8.474 ( -4.107 3.792 -0.067) 5.590 8.678 ( 7.721 18.932 0.840) 20.463 10.625 ( 2.800 2.398 -0.486) 3.719 10.695 ( -1.069 -10.007 -17.140) 19.876 12.451 ( -9.470 -26.195 12.442) 30.507 14.808 ( -6.200 0.199 -7.549) 9.771 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 4.554 6.432 7.555) 10.917 2.599 ( 5.107 11.010 1.722) 12.258 3.239 ( -0.170 -1.680 -11.531) 11.654 3.541 ( 6.996 19.040 -1.665) 20.353 4.086 ( 2.365 4.048 3.197) 5.675 5.361 ( 11.140 12.685 1.719) 16.969 8.476 ( 0.659 6.925 -0.705) 6.992 9.035 ( 7.880 20.225 1.670) 21.770 10.493 ( -3.309 -10.448 -12.733) 16.800 10.724 ( 1.918 5.706 -0.366) 6.030 12.056 ( -12.147 -21.211 7.922) 25.695 14.692 ( -3.010 -3.308 -4.521) 6.360 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 1.752 8.397 3.650) 9.323 2.787 ( 4.897 6.962 2.447) 8.856 3.169 ( -0.904 -1.969 -11.834) 12.031 3.796 ( 2.463 15.892 -0.281) 16.084 4.167 ( 0.363 5.322 3.838) 6.571 5.623 ( 9.273 4.129 1.370) 10.243 8.634 ( 7.561 10.066 -0.266) 12.592 9.320 ( 3.340 15.798 1.018) 16.180 10.314 ( -0.974 -10.181 -9.034) 13.646 10.768 ( -6.139 7.677 1.880) 10.008 11.702 ( -11.114 -10.602 2.487) 15.560 14.623 ( 2.292 -7.172 -1.320) 7.644 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( -3.421 9.486 0.023) 10.084 2.892 ( 2.800 -0.515 0.511) 2.893 3.142 ( 1.830 3.722 -8.150) 9.144 3.933 ( 0.327 6.768 2.471) 7.212 4.223 ( -4.667 11.156 1.585) 12.197 5.772 ( 6.969 -2.845 1.342) 7.646 8.898 ( 10.870 8.839 -1.269) 14.067 9.449 ( -2.130 8.203 0.820) 8.514 10.223 ( 3.396 -8.557 -5.317) 10.631 10.671 ( -14.586 10.141 4.638) 18.361 11.506 ( -7.188 1.322 -2.216) 7.638 14.619 ( 6.901 -9.816 1.194) 12.058 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -6.372 1.152 -2.917) 7.102 2.911 ( -3.550 5.898 -0.870) 6.938 3.251 ( 6.969 4.788 -4.802) 9.724 3.969 ( -0.028 -1.565 5.011) 5.250 4.222 ( -11.305 15.245 -0.613) 18.989 5.816 ( 3.400 -6.988 1.329) 7.884 9.068 ( 2.340 -2.543 -2.715) 4.394 9.502 ( 1.187 8.401 2.657) 8.891 10.176 ( 1.005 -6.652 -4.134) 7.896 10.613 ( -8.235 18.038 5.568) 20.595 11.415 ( -6.379 3.873 -4.147) 8.538 14.666 ( 9.212 -10.137 2.518) 13.927 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -6.981 -1.103 -1.903) 7.319 2.867 ( -9.126 7.637 -1.117) 11.952 3.419 ( 9.521 3.058 -6.173) 11.752 3.945 ( -0.736 -4.980 6.906) 8.546 4.123 ( -16.918 14.009 -1.411) 22.011 5.758 ( -2.081 -7.883 1.216) 8.243 8.948 ( -5.766 -9.119 0.158) 10.790 9.568 ( -6.619 3.780 2.061) 7.896 10.215 ( 10.225 4.351 -5.617) 12.451 10.734 ( -2.939 18.103 4.771) 18.951 11.335 ( -2.939 0.084 -3.901) 4.885 14.743 ( 9.488 -8.419 2.463) 12.921 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -7.711 -0.939 0.301) 7.774 2.745 ( -12.140 5.235 -0.551) 13.232 3.574 ( 7.373 1.345 -9.555) 12.144 3.895 ( -7.133 -3.042 2.838) 8.258 3.921 ( -13.829 8.063 4.636) 16.666 5.593 ( -9.526 -6.351 1.109) 11.503 8.754 ( -6.262 -8.300 1.565) 10.514 9.368 ( -17.163 -0.308 1.690) 17.249 10.526 ( 16.958 8.699 -7.880) 20.624 10.823 ( -5.123 11.586 0.043) 12.668 11.357 ( 7.984 -0.733 1.872) 8.233 14.835 ( 8.781 -5.939 1.037) 10.651 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -9.354 -0.320 2.681) 9.736 2.560 ( -13.253 2.050 0.474) 13.419 3.585 ( -11.371 3.556 -3.345) 12.375 3.597 ( -13.657 -1.631 -5.288) 14.736 3.950 ( 4.903 -0.049 4.609) 6.729 5.309 ( -18.334 -3.680 1.347) 18.748 8.594 ( -4.571 -5.704 0.765) 7.349 9.027 ( -21.130 -1.561 1.455) 21.238 10.692 ( -5.687 5.576 -0.332) 7.971 10.978 ( 18.738 4.142 -17.023) 25.653 11.600 ( 16.000 2.757 12.012) 20.196 14.927 ( 7.596 -4.083 -1.565) 8.765 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 0.000 9.266 3.518) 9.911 2.153 ( 0.000 10.324 14.164) 17.527 2.571 ( 0.000 15.027 -2.947) 15.313 3.139 ( 0.000 13.792 -1.506) 13.874 3.811 ( 0.000 15.829 -7.381) 17.465 4.410 ( 0.000 22.537 1.810) 22.610 8.066 ( 0.000 18.938 0.559) 18.947 8.884 ( -0.000 -6.849 2.227) 7.202 10.582 ( -0.000 -5.947 -0.466) 5.965 10.783 ( -0.000 -3.596 -25.481) 25.734 12.915 ( -0.000 -28.725 15.992) 32.876 15.034 ( -0.000 5.138 -9.486) 10.788 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 3.770 7.654 2.475) 8.884 2.298 ( 1.439 8.454 11.969) 14.724 2.795 ( 8.854 15.615 -1.774) 18.038 3.238 ( 0.287 7.250 -7.004) 10.085 3.920 ( 1.214 8.927 -4.557) 10.097 4.713 ( 3.698 28.255 3.110) 28.665 8.310 ( 6.293 18.991 0.319) 20.010 8.784 ( -5.593 -2.613 -1.829) 6.438 10.525 ( 0.361 -2.973 -1.005) 3.159 10.687 ( 2.229 -8.153 -18.178) 20.047 12.651 ( -2.791 -28.953 14.189) 32.364 15.020 ( -4.064 4.199 -8.429) 10.257 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 6.574 7.691 2.597) 10.446 2.443 ( 3.042 6.519 9.615) 12.008 3.147 ( 13.721 15.639 -1.472) 20.857 3.250 ( -0.517 1.825 -10.805) 10.971 4.016 ( 1.353 7.178 -0.021) 7.304 5.069 ( 5.511 24.294 2.351) 25.022 8.582 ( -0.587 8.433 -0.974) 8.509 8.729 ( 4.562 13.304 -2.100) 14.220 10.536 ( 2.500 -5.650 -7.972) 10.086 10.587 ( 2.217 -3.973 -5.687) 7.283 12.337 ( -5.040 -28.179 11.530) 30.861 14.925 ( -7.897 2.380 -7.320) 11.027 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 5.281 5.700 7.052) 10.494 2.604 ( 6.438 7.605 3.266) 10.486 3.197 ( -0.934 -1.541 -11.898) 12.034 3.544 ( 12.882 16.727 -1.405) 21.159 4.104 ( 1.631 4.925 2.785) 5.888 5.371 ( 4.952 16.444 1.438) 17.234 8.567 ( -2.848 7.196 -2.115) 8.023 9.078 ( 10.582 18.733 0.803) 21.530 10.389 ( -2.149 -11.263 -10.934) 15.844 10.705 ( 7.037 5.368 0.243) 8.854 12.003 ( -6.282 -24.946 8.498) 27.092 14.765 ( -9.115 -0.403 -5.811) 10.817 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 4.658 2.871 7.361) 9.172 2.814 ( 5.743 9.940 0.401) 11.486 3.126 ( -0.775 -2.012 -10.752) 10.966 3.860 ( 5.474 12.317 -0.926) 13.510 4.213 ( 4.436 7.389 3.299) 9.228 5.564 ( 3.542 7.034 0.891) 7.926 8.655 ( 2.842 10.798 0.089) 11.166 9.397 ( 6.027 14.584 1.041) 15.815 10.206 ( -2.351 -10.890 -8.527) 14.029 10.888 ( 4.014 9.724 0.372) 10.526 11.707 ( -5.003 -17.357 5.015) 18.747 14.589 ( -6.379 -4.183 -3.714) 8.484 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 5.024 0.937 4.394) 6.740 2.933 ( -2.721 6.181 -2.009) 7.046 3.120 ( 3.784 4.358 -6.815) 8.931 3.951 ( -0.374 0.190 2.090) 2.132 4.424 ( 2.558 17.779 0.762) 17.978 5.645 ( 3.436 -2.580 0.826) 4.376 8.856 ( 6.415 11.365 1.378) 13.123 9.553 ( -0.780 7.015 0.815) 7.105 10.066 ( 1.341 -9.880 -6.300) 11.794 10.986 ( -6.198 12.083 2.945) 13.895 11.556 ( -0.600 -4.903 -0.139) 4.942 14.461 ( -0.263 -7.930 -1.306) 8.041 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( -4.086 -1.049 -3.116) 5.245 2.973 ( 2.775 4.516 2.506) 5.864 3.235 ( 1.902 9.249 -5.390) 10.872 3.919 ( 0.145 -6.639 4.124) 7.817 4.589 ( -7.190 21.516 -0.598) 22.693 5.655 ( 5.102 -9.630 1.026) 10.946 9.037 ( 2.127 4.709 0.615) 5.203 9.572 ( -0.932 5.060 2.157) 5.579 10.015 ( 4.855 -8.900 -5.322) 11.450 10.983 ( -9.744 15.830 5.444) 19.369 11.522 ( -3.256 1.686 -4.108) 5.506 14.426 ( 6.433 -9.491 0.484) 11.476 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -6.280 -0.142 -1.476) 6.453 3.049 ( -1.662 5.114 0.707) 5.424 3.325 ( 2.260 6.775 -6.433) 9.612 3.874 ( 2.077 -8.530 5.534) 10.378 4.576 ( -16.596 17.232 -0.802) 23.938 5.649 ( 4.985 -9.800 1.018) 11.042 8.989 ( -6.496 -3.815 0.842) 7.580 9.663 ( 0.542 5.190 2.397) 5.743 10.036 ( 8.933 -3.387 -5.338) 10.944 11.033 ( -5.928 18.057 6.226) 19.999 11.411 ( -8.281 -1.417 -5.276) 9.921 14.489 ( 10.326 -7.977 0.676) 13.066 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -7.139 0.767 0.911) 7.237 2.990 ( -10.098 3.857 -0.372) 10.816 3.431 ( 6.800 2.881 -8.329) 11.132 3.857 ( 2.072 -5.958 6.304) 8.918 4.370 ( -21.249 8.289 -0.064) 22.809 5.624 ( -0.283 -4.994 0.794) 5.064 8.817 ( -8.139 -4.203 1.374) 9.262 9.602 ( -9.787 -0.900 0.964) 9.876 10.262 ( 16.881 4.188 -5.786) 18.330 11.124 ( -12.055 13.499 2.454) 18.264 11.240 ( 2.529 -4.974 -0.202) 5.584 14.609 ( 10.758 -5.063 -0.717) 11.911 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( -8.009 1.600 3.112) 8.740 2.805 ( -13.165 0.391 0.075) 13.171 3.534 ( 5.007 1.440 -11.008) 12.178 3.848 ( -1.905 -3.072 3.984) 5.380 4.053 ( -18.652 1.129 3.270) 18.970 5.525 ( -8.839 -0.422 0.842) 8.889 8.653 ( -7.350 -2.117 0.002) 7.649 9.355 ( -17.306 -1.622 0.860) 17.403 10.600 ( 19.217 4.179 -8.888) 21.581 10.907 ( -10.914 -4.271 -2.750) 12.038 11.424 ( 10.933 4.811 8.960) 14.932 14.739 ( 9.204 -2.700 -2.969) 10.041 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 0.000 5.829 0.906) 5.899 2.400 ( 0.000 6.629 11.676) 13.427 2.855 ( 0.000 14.267 -1.360) 14.332 3.261 ( -0.000 2.925 -11.251) 11.625 3.993 ( 0.000 9.205 -0.880) 9.247 4.978 ( 0.000 28.324 2.729) 28.455 8.429 ( 0.000 17.262 -1.234) 17.306 8.806 ( -0.000 -0.301 -5.988) 5.996 10.496 ( -0.000 -2.572 0.879) 2.718 10.530 ( -0.000 -8.590 -12.945) 15.536 12.424 ( -0.000 -29.472 11.875) 31.774 15.080 ( -0.000 4.670 -7.127) 8.521 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 5.127 5.297 0.487) 7.388 2.498 ( 1.033 4.725 10.712) 11.753 3.072 ( 9.436 12.695 -1.277) 15.869 3.233 ( -0.144 0.259 -12.631) 12.634 4.084 ( 0.031 8.194 1.423) 8.317 5.265 ( 1.506 24.456 1.961) 24.581 8.642 ( 4.761 13.203 -2.097) 14.191 8.773 ( -0.234 5.240 -8.091) 9.642 10.419 ( 0.051 -8.188 -6.666) 10.559 10.510 ( 2.947 -0.168 0.983) 3.111 12.146 ( -2.096 -28.979 9.120) 30.453 15.057 ( -5.485 4.006 -6.173) 9.178 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 8.781 5.428 0.574) 10.339 2.597 ( 2.596 3.007 9.621) 10.409 3.163 ( -0.702 -1.044 -11.828) 11.895 3.434 ( 15.475 12.658 -1.168) 20.027 4.153 ( -0.559 5.335 2.297) 5.835 5.506 ( 0.841 18.290 1.188) 18.348 8.677 ( -2.923 6.383 -6.246) 9.397 9.036 ( 13.370 14.779 -1.965) 20.026 10.304 ( -2.373 -7.891 -4.483) 9.380 10.613 ( 7.278 2.365 1.308) 7.763 11.850 ( -2.872 -26.031 6.777) 27.051 14.934 ( -10.395 2.387 -5.413) 11.961 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 4.105 1.767 6.212) 7.652 2.753 ( 9.938 5.643 2.269) 11.652 3.102 ( -1.453 -0.740 -9.571) 9.709 3.826 ( 13.776 12.530 -1.577) 18.689 4.197 ( 1.930 2.398 2.841) 4.189 5.647 ( -1.751 10.803 0.585) 10.959 8.723 ( 1.124 9.553 -2.868) 10.037 9.389 ( 10.951 12.043 -1.124) 16.316 10.155 ( -4.872 -6.927 -3.457) 9.147 10.810 ( 11.824 3.837 -0.038) 12.431 11.596 ( -2.023 -19.208 5.467) 20.073 14.728 ( -12.657 -0.043 -4.404) 13.402 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 4.061 -0.263 4.801) 6.294 2.991 ( 6.250 7.174 0.967) 9.564 3.052 ( 1.583 0.351 -6.786) 6.977 3.996 ( -2.494 2.662 -0.200) 3.654 4.413 ( 14.908 10.010 1.314) 18.005 5.657 ( -4.779 2.379 0.248) 5.344 8.879 ( 4.950 10.943 0.419) 12.017 9.600 ( 3.571 5.718 -1.150) 6.839 9.988 ( -5.039 -6.940 -2.757) 9.008 11.068 ( 10.316 7.199 -1.291) 12.645 11.459 ( 1.694 -9.696 4.475) 10.812 14.495 ( -10.643 -2.912 -2.816) 11.388 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 2.702 -0.948 0.893) 2.999 2.990 ( -1.818 1.770 -1.073) 2.755 3.243 ( 7.977 8.268 -1.619) 11.602 3.909 ( -5.204 -4.385 1.214) 6.912 4.781 ( 10.228 16.394 0.042) 19.323 5.543 ( -5.031 -7.390 0.316) 8.946 9.063 ( 3.397 7.292 1.449) 8.174 9.646 ( -1.315 3.763 0.349) 4.001 9.857 ( 0.147 -7.867 -3.278) 8.524 11.222 ( -1.562 8.207 1.889) 8.565 11.498 ( 6.112 -0.844 -0.415) 6.184 14.320 ( -3.766 -4.855 -0.967) 6.220 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( -3.587 0.922 -0.554) 3.745 3.021 ( 3.979 -0.030 0.071) 3.980 3.418 ( 0.949 11.165 -3.480) 11.733 3.775 ( -1.606 -9.694 3.366) 10.386 4.995 ( -10.121 18.501 -0.660) 21.098 5.415 ( 7.063 -14.241 0.778) 15.916 9.084 ( -5.205 -0.265 1.323) 5.377 9.698 ( 0.495 3.805 1.788) 4.234 9.839 ( 7.410 -3.077 -3.908) 8.925 11.241 ( -3.517 4.039 2.896) 6.089 11.535 ( -4.027 3.141 -2.253) 5.581 14.284 ( 4.957 -3.987 -0.179) 6.364 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( -6.234 2.367 1.546) 6.845 3.076 ( 1.900 -1.822 -1.530) 3.045 3.437 ( -5.608 6.487 -5.891) 10.403 3.748 ( 5.767 -5.925 5.321) 9.832 4.783 ( -20.788 0.852 -0.139) 20.806 5.518 ( 8.697 -0.892 0.450) 8.755 8.952 ( -8.829 -0.386 1.974) 9.056 9.679 ( -1.729 -3.800 -1.298) 4.372 10.035 ( 12.280 5.451 -2.069) 13.594 11.173 ( -3.256 -9.600 -1.073) 10.194 11.450 ( -10.010 9.060 2.447) 13.722 14.391 ( 9.693 -1.027 -1.209) 9.822 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -7.336 2.990 3.514) 8.667 2.985 ( -8.407 -3.740 -0.806) 9.237 3.434 ( 3.456 2.050 -8.697) 9.580 3.819 ( 3.213 -0.939 4.983) 6.003 4.388 ( -20.718 -6.784 0.811) 21.815 5.616 ( -0.003 3.931 0.447) 3.956 8.807 ( -9.744 2.636 0.870) 10.132 9.559 ( -8.272 -3.168 -1.012) 8.915 10.310 ( 15.211 3.667 -4.182) 16.196 10.942 ( -5.782 -16.215 -2.289) 17.367 11.441 ( -2.255 7.172 6.059) 9.655 14.558 ( 9.547 1.547 -3.006) 10.128 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 0.000 4.080 0.049) 4.080 2.559 ( 0.000 2.843 10.143) 10.533 3.101 ( 0.000 10.965 -0.650) 10.984 3.187 ( -0.000 -1.237 -12.926) 12.985 4.171 ( 0.000 7.513 1.938) 7.759 5.489 ( 0.000 21.480 1.300) 21.520 8.713 ( 0.000 12.263 -2.316) 12.480 8.779 ( -0.000 2.987 -12.335) 12.692 10.344 ( -0.000 -5.294 -0.127) 5.296 10.495 ( 0.000 1.442 1.731) 2.253 11.898 ( -0.000 -28.815 6.154) 29.464 15.133 ( -0.000 4.400 -5.160) 6.782 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 6.004 3.597 0.022) 6.999 2.617 ( 1.045 1.142 9.481) 9.607 3.131 ( -0.480 -0.471 -10.606) 10.628 3.300 ( 10.915 8.952 -0.856) 14.142 4.231 ( -1.208 5.261 1.630) 5.639 5.682 ( -0.259 16.689 0.657) 16.704 8.749 ( -1.700 5.255 -9.527) 11.012 8.926 ( 11.148 9.695 -3.442) 15.170 10.293 ( -2.294 -2.644 2.461) 4.279 10.545 ( 3.004 1.716 1.606) 3.814 11.633 ( -0.209 -25.978 3.814) 26.257 15.102 ( -6.675 3.698 -4.560) 8.889 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 9.663 3.129 0.040) 10.157 2.678 ( 2.994 -0.152 8.207) 8.737 3.094 ( -0.664 0.708 -7.604) 7.666 3.637 ( 17.927 8.273 -0.800) 19.760 4.239 ( -2.592 2.152 1.153) 3.561 5.801 ( -2.435 11.033 0.175) 11.300 8.777 ( 0.813 7.487 -5.504) 9.327 9.249 ( 15.493 8.064 -2.496) 17.643 10.218 ( -5.974 0.100 2.270) 6.391 10.630 ( 7.649 -2.849 0.209) 8.165 11.432 ( 1.599 -17.609 3.199) 17.969 14.953 ( -12.452 2.363 -4.014) 13.295 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 3.345 -1.202 4.097) 5.424 2.849 ( 12.507 2.777 1.504) 12.900 3.073 ( -1.588 2.175 -3.744) 4.611 4.015 ( 11.505 7.577 -2.144) 13.942 4.228 ( 5.429 -0.706 1.808) 5.766 5.806 ( -6.496 5.159 -0.201) 8.298 8.892 ( 4.272 8.320 -1.260) 9.437 9.526 ( 9.385 3.584 -2.657) 10.391 10.091 ( -9.911 0.159 1.681) 10.054 10.800 ( 17.916 -4.247 -1.961) 18.517 11.365 ( 2.708 -6.755 4.106) 8.356 14.714 ( -15.419 0.930 -3.008) 15.737 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( 3.775 -1.921 2.122) 4.738 3.041 ( -0.452 1.740 -2.611) 3.170 3.120 ( 10.873 4.107 2.708) 11.934 4.003 ( -7.628 -0.744 -1.689) 7.848 4.569 ( 22.845 4.151 0.719) 23.230 5.677 ( -11.383 0.059 -0.414) 11.390 9.047 ( 5.200 4.263 0.059) 6.725 9.640 ( 3.820 1.767 -2.446) 4.868 9.910 ( -10.191 -1.404 1.949) 10.470 11.119 ( 19.106 1.042 -4.155) 19.581 11.386 ( 3.203 -2.647 5.153) 6.619 14.454 ( -13.699 0.256 -1.370) 13.770 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 3.832 -1.248 0.043) 4.030 3.018 ( -2.766 1.748 0.287) 3.285 3.368 ( 11.783 3.220 1.999) 12.377 3.824 ( -9.770 -3.037 -1.956) 10.416 4.984 ( 21.235 0.260 0.447) 21.242 5.428 ( -16.126 -0.636 -0.507) 16.147 9.109 ( 1.283 -3.064 -1.214) 3.536 9.722 ( 0.421 -2.486 -0.975) 2.703 9.779 ( -1.824 7.425 2.571) 8.066 11.283 ( -0.234 -1.712 -1.536) 2.312 11.502 ( 9.897 -0.407 1.249) 9.984 14.281 ( -6.182 1.552 0.126) 6.375 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( -0.245 1.708 0.472) 1.789 2.995 ( 0.435 -1.696 -0.446) 1.807 3.578 ( 7.903 -7.028 4.866) 11.642 3.623 ( -8.231 6.460 -4.769) 11.498 5.013 ( -10.379 -18.225 0.125) 20.974 5.394 ( 7.559 13.511 -0.154) 15.482 9.060 ( -2.360 -2.198 -0.068) 3.226 9.632 ( -1.917 -5.026 -0.587) 5.411 9.957 ( 6.388 10.044 0.935) 11.939 11.151 ( -6.450 -11.257 -0.729) 12.995 11.600 ( 0.191 1.396 0.481) 1.489 14.289 ( 3.114 4.541 0.031) 5.507 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( -6.165 3.691 3.543) 8.012 2.981 ( 1.488 -5.845 -2.922) 6.702 3.430 ( -4.426 -3.509 -3.219) 6.501 3.768 ( 5.347 4.509 2.363) 7.383 4.597 ( -16.216 -16.661 0.207) 23.251 5.629 ( 5.356 8.993 0.140) 10.468 9.002 ( -6.060 4.382 1.216) 7.577 9.561 ( 0.011 -5.951 -1.931) 6.257 10.166 ( 7.425 7.486 -0.457) 10.554 10.862 ( -7.930 -19.113 -0.884) 20.712 11.567 ( -4.369 0.073 2.047) 4.826 14.444 ( 7.379 6.867 -1.301) 10.164 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 0.000 2.571 0.061) 2.572 2.639 ( 0.000 -0.473 8.707) 8.720 3.105 ( -0.000 0.324 -8.313) 8.319 3.276 ( 0.000 6.842 -0.265) 6.847 4.293 ( 0.000 3.872 0.731) 3.940 5.834 ( 0.000 12.919 0.071) 12.919 8.786 ( -0.000 5.005 -9.436) 10.681 8.890 ( 0.000 7.067 -1.439) 7.212 10.316 ( 0.000 0.022 4.927) 4.927 10.552 ( 0.000 2.811 0.968) 2.973 11.385 ( -0.000 -24.075 1.287) 24.110 15.186 ( -0.000 3.578 -4.031) 5.390 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 6.411 1.898 0.103) 6.687 2.661 ( 1.052 -1.835 7.573) 7.862 3.096 ( -0.144 2.266 -4.662) 5.185 3.435 ( 11.557 4.803 -0.225) 12.518 4.305 ( -2.093 1.736 -0.251) 2.730 5.930 ( -1.257 8.248 -0.340) 8.350 8.822 ( 0.322 7.020 -3.924) 8.049 9.057 ( 11.931 5.066 -1.017) 13.002 10.324 ( -1.540 2.330 3.747) 4.673 10.545 ( -2.413 -3.099 -0.927) 4.036 11.218 ( 4.415 -15.379 0.984) 16.030 15.142 ( -7.327 2.724 -3.701) 8.649 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 8.128 0.250 0.063) 8.132 2.697 ( 5.002 -1.929 5.532) 7.704 3.114 ( -0.615 3.929 -0.871) 4.071 3.748 ( 19.726 3.273 -0.349) 19.998 4.253 ( -4.236 -0.655 -1.071) 4.418 5.943 ( -4.076 3.441 -0.670) 5.376 8.910 ( 1.905 7.057 0.903) 7.365 9.343 ( 14.724 3.322 -1.189) 15.141 10.299 ( -10.501 3.639 2.230) 11.335 10.474 ( 9.820 -8.927 -2.985) 13.603 11.234 ( 6.752 -4.712 2.133) 8.506 14.975 ( -13.273 1.914 -3.033) 13.749 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( 3.133 -3.032 1.687) 4.675 2.881 ( 13.022 -0.304 0.974) 13.062 3.142 ( -1.494 4.897 2.636) 5.758 4.097 ( 2.950 2.416 -3.924) 5.471 4.194 ( 14.369 -3.728 1.549) 14.926 5.850 ( -8.143 -0.365 -0.895) 8.200 9.003 ( 2.469 1.420 1.642) 3.288 9.563 ( 7.911 3.030 -1.542) 8.610 10.100 ( -11.161 -1.697 1.509) 11.389 10.727 ( 22.123 1.099 -2.535) 22.295 11.311 ( 4.396 -2.484 2.714) 5.733 14.729 ( -15.977 1.970 -1.620) 16.180 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 4.285 -3.311 -0.137) 5.417 3.057 ( 4.990 -0.358 -0.368) 5.017 3.210 ( 5.358 3.380 5.907) 8.662 3.963 ( -8.843 -1.266 -3.946) 9.766 4.563 ( 23.526 -5.334 0.501) 24.128 5.667 ( -11.315 -0.631 -0.880) 11.366 9.012 ( 1.984 -6.539 -1.551) 7.007 9.689 ( 3.574 1.605 -0.385) 3.937 9.949 ( -7.617 5.342 3.912) 10.092 11.136 ( 20.245 3.985 -4.652) 21.152 11.326 ( 1.647 -6.852 3.618) 7.922 14.492 ( -13.535 3.761 0.326) 14.051 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( 5.709 -3.223 -2.010) 6.857 3.060 ( -3.370 0.533 2.032) 3.971 3.383 ( 9.341 -2.624 5.725) 11.265 3.796 ( -8.203 2.197 -4.964) 9.837 4.782 ( 11.261 -17.243 0.138) 20.595 5.523 ( -5.383 6.978 -0.585) 8.833 8.973 ( 3.865 -7.901 -2.594) 9.170 9.666 ( -3.533 -3.559 1.392) 5.205 10.011 ( 0.586 12.783 3.256) 13.204 11.166 ( -7.334 -9.297 0.222) 11.843 11.471 ( 13.129 -1.707 -2.253) 13.429 14.378 ( -5.713 7.146 1.613) 9.291 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 0.000 0.972 0.373) 1.041 2.649 ( 0.000 -2.982 6.446) 7.102 3.120 ( 0.000 4.166 -0.967) 4.277 3.367 ( 0.000 2.417 -0.008) 2.417 4.332 ( -0.000 0.260 -1.435) 1.458 6.001 ( 0.000 4.123 -0.729) 4.187 8.890 ( 0.000 8.283 1.455) 8.410 8.989 ( 0.000 3.289 0.820) 3.390 10.322 ( -0.000 -3.529 -1.106) 3.698 10.590 ( -0.000 0.533 -0.951) 1.090 11.038 ( -0.000 -8.824 1.032) 8.884 15.219 ( -0.000 2.020 -3.646) 4.169 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 6.299 0.043 0.257) 6.304 2.641 ( 1.094 -3.877 5.003) 6.423 3.172 ( -0.253 5.897 2.580) 6.441 3.485 ( 11.888 0.259 0.085) 11.891 4.298 ( -2.486 -1.515 -2.543) 3.865 6.004 ( -1.624 -0.378 -1.057) 1.974 8.981 ( -0.527 7.001 6.162) 9.342 9.130 ( 11.784 2.860 1.945) 12.281 10.274 ( 2.506 -8.677 -6.318) 11.022 10.500 ( -7.863 1.896 -0.178) 8.091 11.086 ( 7.137 0.563 1.835) 7.391 15.161 ( -7.249 1.278 -3.372) 8.096 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 4.535 -2.899 -0.014) 5.383 2.675 ( 8.418 -2.912 3.023) 9.406 3.235 ( -1.244 6.700 5.303) 8.635 3.760 ( 20.295 -2.101 0.152) 20.404 4.203 ( -4.812 -2.909 -3.631) 6.693 5.929 ( -4.036 -4.258 -1.329) 6.015 9.018 ( -1.948 -0.032 5.448) 5.786 9.399 ( 13.738 2.006 1.852) 14.006 10.180 ( -1.872 -6.280 -3.732) 7.541 10.509 ( 5.758 6.921 -0.880) 9.046 11.223 ( 5.371 2.091 1.472) 5.948 14.990 ( -12.526 1.342 -2.348) 12.815 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 3.215 -4.600 -0.458) 5.631 2.847 ( 12.476 -3.766 0.950) 13.066 3.291 ( -2.206 6.841 7.381) 10.302 4.062 ( -5.997 -3.686 -4.050) 8.121 4.102 ( 22.607 -5.533 -0.543) 23.281 5.782 ( -6.167 -5.790 -1.297) 8.558 8.944 ( -2.640 -7.428 0.729) 7.917 9.588 ( 7.974 -3.768 -0.006) 8.820 10.126 ( -3.828 7.113 3.834) 8.942 10.798 ( 19.297 4.959 -2.234) 20.049 11.291 ( 0.138 0.462 0.781) 0.918 14.771 ( -14.065 2.896 -0.436) 14.367 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 4.787 -4.826 -2.073) 7.106 2.987 ( 8.414 -6.818 0.408) 10.837 3.351 ( -0.662 6.125 8.942) 10.859 3.911 ( -6.310 -1.117 -5.362) 8.355 4.371 ( 17.814 -13.610 -0.365) 22.421 5.632 ( -4.436 -2.807 -0.912) 5.328 8.831 ( 0.743 -9.449 -1.676) 9.625 9.610 ( 3.356 -8.915 -0.618) 9.546 10.203 ( -3.570 15.575 6.871) 17.393 11.123 ( 11.626 -9.787 1.767) 15.299 11.266 ( 0.592 7.048 -4.961) 8.640 14.597 ( -10.563 5.976 1.760) 12.263 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 0.000 -0.817 0.590) 1.008 2.603 ( 0.000 -4.788 3.834) 6.134 3.255 ( 0.000 7.611 5.861) 9.606 3.371 ( -0.000 -2.077 0.164) 2.083 4.287 ( -0.000 -3.152 -3.739) 4.890 5.987 ( -0.000 -4.898 -1.382) 5.090 9.030 ( 0.000 -0.538 2.715) 2.767 9.107 ( 0.000 7.387 12.291) 14.340 10.159 ( -0.000 -5.571 -8.889) 10.490 10.556 ( -0.000 -2.669 -2.551) 3.692 11.077 ( 0.000 9.185 2.175) 9.439 15.221 ( -0.000 0.406 -3.641) 3.663 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 5.594 -2.025 0.139) 5.951 2.570 ( 1.367 -5.615 2.619) 6.345 3.346 ( -0.730 7.487 7.966) 10.956 3.449 ( 11.723 -3.610 0.575) 12.280 4.215 ( -2.303 -4.539 -4.938) 7.092 5.901 ( -1.283 -9.180 -1.695) 9.423 9.051 ( 0.575 -3.662 4.235) 5.628 9.221 ( 6.169 -0.640 8.580) 10.587 10.133 ( 1.457 3.594 -4.804) 6.174 10.515 ( 0.261 -0.400 -1.881) 1.940 11.218 ( 2.485 10.925 0.518) 11.216 15.154 ( -6.473 0.234 -3.240) 7.243 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 2.488 -5.340 -0.898) 5.960 2.613 ( 9.640 -4.920 1.462) 10.921 3.425 ( -1.716 7.035 9.466) 11.918 3.669 ( 18.679 -7.095 0.813) 19.998 4.098 ( -3.785 -4.506 -6.278) 8.605 5.759 ( -2.119 -11.885 -1.741) 12.198 8.948 ( -5.531 -8.329 1.685) 10.139 9.344 ( 10.982 -10.151 1.328) 15.013 10.253 ( 1.593 13.814 4.606) 14.648 10.597 ( 8.798 2.602 -0.557) 9.192 11.343 ( -0.405 9.899 -1.399) 10.006 15.003 ( -10.492 1.351 -1.796) 10.730 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 3.472 -6.205 -1.977) 7.380 2.740 ( 10.789 -7.484 0.406) 13.138 3.482 ( -2.554 6.106 10.465) 12.383 3.889 ( 13.326 -12.696 1.542) 18.470 3.992 ( 1.685 -2.618 -8.115) 8.692 5.604 ( -1.000 -11.437 -1.363) 11.562 8.765 ( -4.193 -9.458 -0.813) 10.377 9.382 ( 8.364 -14.912 -1.393) 17.155 10.446 ( -1.271 18.291 9.600) 20.697 10.819 ( 13.682 -2.041 0.735) 13.853 11.388 ( -4.272 10.368 -4.571) 12.110 14.838 ( -10.719 3.809 0.553) 11.389 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -0.000 -2.857 0.465) 2.894 2.505 ( -0.000 -6.719 1.407) 6.865 3.287 ( -0.000 -6.434 0.254) 6.439 3.471 ( 0.000 8.435 10.520) 13.484 4.164 ( -0.000 -5.997 -6.137) 8.580 5.789 ( -0.000 -14.079 -2.027) 14.224 8.981 ( -0.000 -6.654 2.664) 7.167 9.182 ( 0.000 -7.797 6.297) 10.022 10.211 ( 0.000 15.558 3.051) 15.854 10.477 ( -0.000 -2.952 -2.458) 3.841 11.336 ( 0.000 15.482 -1.603) 15.565 15.197 ( -0.000 -0.285 -3.650) 3.661 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 3.810 -4.571 -0.589) 5.979 2.449 ( 2.499 -7.581 0.770) 8.019 3.311 ( 10.724 -8.688 0.447) 13.809 3.572 ( -0.934 6.044 11.530) 13.052 4.070 ( -1.496 -5.468 -7.131) 9.110 5.621 ( -0.033 -17.893 -2.151) 18.022 8.922 ( -0.068 -10.492 0.495) 10.504 9.098 ( 2.946 -12.548 0.565) 12.901 10.399 ( -0.070 13.372 4.891) 14.238 10.524 ( 5.336 8.132 5.730) 11.288 11.478 ( -1.039 15.550 -4.292) 16.165 15.139 ( -5.194 0.340 -3.035) 6.026 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 2.153 -7.926 -1.887) 8.428 2.495 ( 8.826 -7.427 0.139) 11.536 3.451 ( 15.648 -11.252 0.785) 19.289 3.615 ( -1.211 -0.588 10.405) 10.492 3.984 ( -1.972 -0.716 -6.708) 7.028 5.438 ( 1.638 -19.371 -1.867) 19.529 8.757 ( -5.131 -9.883 -1.961) 11.307 9.060 ( 8.511 -17.022 -1.233) 19.071 10.538 ( 7.108 3.816 0.745) 8.102 10.779 ( 1.232 19.001 15.491) 24.547 11.568 ( -3.939 14.759 -7.662) 17.090 15.028 ( -7.822 2.192 -1.183) 8.209 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -0.000 -5.299 -0.104) 5.300 2.349 ( -0.000 -9.485 -0.808) 9.519 3.122 ( -0.000 -10.310 0.271) 10.314 3.651 ( 0.000 -0.437 10.778) 10.787 4.019 ( -0.000 -1.835 -6.031) 6.304 5.408 ( -0.000 -22.966 -2.400) 23.091 8.781 ( -0.000 -14.535 0.658) 14.550 8.967 ( -0.000 -11.467 -4.005) 12.147 10.440 ( -0.000 0.667 -0.640) 0.925 10.723 ( 0.000 25.931 19.171) 32.249 11.636 ( 0.000 17.036 -7.645) 18.672 15.174 ( -0.000 0.319 -3.474) 3.488 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 0.978 -10.634 -2.043) 10.873 2.301 ( 4.906 -7.485 -0.477) 8.962 3.101 ( 9.865 -12.420 0.216) 15.863 3.614 ( -0.558 -9.785 5.436) 11.207 4.018 ( -1.042 4.997 -0.921) 5.187 5.170 ( 2.070 -26.128 -2.325) 26.313 8.652 ( 2.623 -16.539 -1.461) 16.810 8.837 ( -0.555 -10.237 -4.398) 11.156 10.477 ( 2.643 2.660 0.379) 3.769 11.055 ( 0.363 24.707 23.338) 33.989 11.755 ( -2.543 17.069 -11.694) 20.847 15.138 ( -3.661 1.413 -2.629) 4.724 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -0.000 -13.455 -2.898) 13.763 2.178 ( -0.000 -8.703 -1.080) 8.769 2.891 ( -0.000 -12.886 0.253) 12.889 3.493 ( -0.000 -15.957 0.934) 15.984 4.094 ( 0.000 6.566 3.705) 7.539 4.857 ( -0.000 -30.738 -2.719) 30.858 8.432 ( -0.000 -19.743 -1.114) 19.774 8.760 ( -0.000 -4.859 -6.598) 8.194 10.497 ( 0.000 4.661 0.936) 4.754 11.371 ( 0.000 22.121 28.462) 36.047 11.915 ( -0.000 19.562 -15.933) 25.229 15.172 ( -0.000 1.471 -3.081) 3.414 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -0.000 -0.000 20.878) 20.878 0.605 ( 0.000 -0.000 20.878) 20.878 1.294 ( 0.000 -0.000 45.798) 45.798 2.072 ( -0.000 0.000 -3.978) 3.978 2.072 ( -0.000 0.000 -3.978) 3.978 5.066 ( -0.000 0.000 -13.219) 13.219 7.167 ( 0.000 -0.000 2.537) 2.537 7.167 ( 0.000 -0.000 2.537) 2.537 11.002 ( 0.000 0.000 -1.422) 1.422 11.002 ( 0.000 0.000 -1.422) 1.422 14.407 ( 0.000 -0.000 1.188) 1.188 14.568 ( -0.000 0.000 -0.635) 0.635 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 14.388 8.307 15.240) 22.545 1.057 ( 17.876 10.321 20.144) 28.842 1.626 ( 20.355 11.752 33.774) 41.148 2.090 ( 2.736 1.580 -4.265) 5.307 2.213 ( 12.635 7.295 -4.524) 15.274 4.583 ( -16.762 -9.678 -1.398) 19.406 7.232 ( 4.875 2.815 2.581) 6.193 8.527 ( 67.110 38.746 -35.587) 85.273 10.738 ( -16.835 -9.720 -5.685) 20.254 10.968 ( -2.609 -1.506 -1.426) 3.333 14.280 ( -11.733 -6.774 5.100) 14.476 14.696 ( 9.624 5.556 -7.089) 13.181 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 18.282 10.555 9.720) 23.241 1.405 ( 9.085 5.245 23.810) 26.019 2.172 ( 5.649 3.261 -4.398) 7.867 2.325 ( 27.716 16.002 17.114) 36.292 2.615 ( 25.168 14.531 -4.616) 29.426 4.334 ( -6.140 -3.545 -6.255) 9.455 7.403 ( 9.353 5.400 2.297) 11.042 9.264 ( 1.253 0.723 -3.350) 3.649 10.553 ( 11.346 6.551 -31.144) 33.787 10.880 ( -4.610 -2.662 -1.364) 5.495 13.971 ( -16.783 -9.689 11.650) 22.611 14.838 ( 4.505 2.601 -11.721) 12.823 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 15.753 9.095 6.515) 19.321 1.681 ( 9.990 5.768 18.214) 21.560 2.327 ( 9.107 5.258 -4.022) 11.259 2.853 ( 17.499 10.103 7.006) 21.386 3.324 ( 32.814 18.945 -2.511) 37.974 4.231 ( -0.604 -0.349 -6.375) 6.413 7.668 ( 13.122 7.576 1.688) 15.246 8.954 ( -19.669 -11.356 3.935) 23.050 10.759 ( -5.332 -3.078 -1.149) 6.263 10.844 ( 15.867 9.161 -30.417) 35.509 13.597 ( -19.661 -11.352 16.136) 27.853 14.841 ( -0.263 -0.152 -12.708) 12.712 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 11.966 6.909 12.499) 18.632 1.981 ( 10.602 6.121 3.569) 12.751 2.565 ( 12.301 7.102 -2.604) 14.440 3.202 ( 11.403 6.584 1.709) 13.278 3.868 ( 12.405 7.162 -10.155) 17.559 4.399 ( 19.174 11.070 3.266) 22.380 8.001 ( 15.407 8.895 0.786) 17.808 8.567 ( -13.203 -7.623 0.199) 15.247 10.640 ( -4.639 -2.678 -0.665) 5.397 10.996 ( 4.449 2.569 -23.179) 23.741 13.157 ( -23.474 -13.553 16.042) 31.497 14.789 ( -0.377 -0.218 -9.934) 9.944 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 6.899 3.983 1.290) 8.071 2.295 ( 12.550 7.246 8.651) 16.877 2.847 ( 12.265 7.081 -1.219) 14.215 3.363 ( 3.323 1.919 -7.172) 8.134 3.999 ( 4.702 2.714 -3.014) 6.209 4.948 ( 23.707 13.688 3.591) 27.610 8.359 ( 15.394 8.888 -0.380) 17.779 8.385 ( -2.079 -1.200 -2.441) 3.423 10.552 ( -2.880 -1.663 0.191) 3.331 10.934 ( -3.605 -2.081 -17.766) 18.247 12.612 ( -27.718 -16.003 11.526) 34.018 14.787 ( 2.187 1.262 -4.398) 5.071 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 4.702 2.715 0.114) 5.430 2.595 ( 11.588 6.691 6.145) 14.725 3.098 ( 9.652 5.572 -0.572) 11.159 3.336 ( -2.158 -1.246 -13.455) 13.684 4.099 ( 3.644 2.104 3.641) 5.564 5.438 ( 17.955 10.366 2.549) 20.889 8.455 ( 8.694 5.019 -4.167) 10.869 8.684 ( 12.947 7.475 -1.679) 15.044 10.511 ( -0.968 -0.559 1.356) 1.757 10.757 ( -7.361 -4.250 -12.045) 14.742 11.984 ( -28.562 -16.490 6.261) 33.569 14.854 ( 3.845 2.220 0.477) 4.466 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 2.879 1.662 -0.429) 3.352 2.855 ( 9.488 5.478 4.072) 11.688 3.213 ( -4.123 -2.381 -14.542) 15.301 3.277 ( 6.061 3.499 -0.308) 7.005 4.176 ( 1.708 0.986 5.185) 5.548 5.777 ( 11.031 6.369 1.952) 12.886 8.735 ( 16.620 9.596 -6.293) 20.197 8.929 ( 8.941 5.162 -2.731) 10.680 10.507 ( -0.144 -0.083 2.446) 2.452 10.522 ( -11.769 -6.795 -4.144) 14.208 11.408 ( -20.932 -12.085 1.569) 24.221 14.949 ( 3.593 2.074 3.419) 5.376 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 1.055 0.609 -0.639) 1.376 2.948 ( -4.194 -2.422 -5.757) 7.524 3.185 ( 7.777 4.490 -5.432) 10.495 3.371 ( 2.164 1.249 -0.180) 2.505 4.201 ( -0.946 -0.546 4.875) 4.996 5.950 ( 3.472 2.004 1.623) 4.325 9.073 ( 4.396 2.538 -3.062) 5.928 9.145 ( 20.398 11.777 -10.177) 25.659 10.172 ( -18.010 -10.398 5.338) 21.470 10.506 ( -0.918 -0.530 2.925) 3.111 11.110 ( -4.995 -2.884 -1.792) 6.040 15.029 ( 2.158 1.246 4.991) 5.578 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -0.830 -0.479 -0.626) 1.144 2.772 ( -7.764 -4.483 -7.514) 11.698 3.375 ( -1.774 -1.024 -0.096) 2.051 3.404 ( 10.987 6.343 -3.724) 13.222 4.157 ( -4.210 -2.430 4.849) 6.866 5.943 ( -4.500 -2.598 1.536) 5.418 9.109 ( -0.721 -0.416 -2.465) 2.601 9.448 ( -0.139 -0.080 -8.653) 8.654 9.931 ( 5.165 2.982 4.765) 7.634 10.479 ( -2.033 -1.174 2.498) 3.428 11.123 ( 5.374 3.103 -1.078) 6.298 15.077 ( 0.718 0.415 5.865) 5.923 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -2.779 -1.605 -0.407) 3.235 2.567 ( -8.469 -4.889 -4.950) 10.960 3.290 ( -5.563 -3.212 -0.036) 6.423 3.639 ( 10.399 6.004 -6.954) 13.876 4.042 ( -7.054 -4.073 6.534) 10.442 5.754 ( -12.391 -7.154 1.625) 14.400 9.017 ( -6.949 -4.012 -1.135) 8.104 9.192 ( -14.462 -8.350 4.730) 17.356 10.348 ( 24.874 14.361 -10.622) 30.624 10.441 ( -1.422 -0.821 1.290) 2.087 11.308 ( 10.100 5.831 1.198) 11.724 15.104 ( 0.247 0.142 6.188) 6.195 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -4.887 -2.821 0.088) 5.643 2.352 ( -9.620 -5.554 -1.391) 11.194 3.123 ( -8.904 -5.141 -0.035) 10.281 3.738 ( -4.107 -2.371 -7.981) 9.284 3.964 ( 2.632 1.520 5.826) 6.571 5.388 ( -20.000 -11.547 1.826) 23.166 8.783 ( -13.228 -7.637 0.258) 15.276 8.914 ( -10.784 -6.226 7.209) 14.388 10.438 ( 1.185 0.684 -0.062) 1.370 10.899 ( 26.313 15.192 -18.915) 35.791 11.570 ( 11.738 6.777 6.353) 14.969 15.133 ( 0.815 0.471 5.490) 5.570 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 0.000 18.637 15.424) 24.192 1.067 ( 0.000 26.756 15.744) 31.044 1.703 ( 0.000 15.753 37.365) 40.550 2.078 ( -0.000 3.223 -4.922) 5.883 2.192 ( 0.000 14.041 -4.768) 14.829 4.574 ( -0.000 -19.407 -3.662) 19.749 7.239 ( 0.000 5.759 2.673) 6.349 8.401 ( 0.000 72.728 -29.147) 78.351 10.789 ( -0.000 -13.195 -6.711) 14.804 10.955 ( -0.000 -3.514 -1.586) 3.855 14.278 ( -0.000 -15.172 5.081) 16.000 14.667 ( -0.000 9.698 -6.083) 11.448 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 5.186 21.405 11.663) 24.922 1.437 ( 6.055 13.396 21.538) 26.077 2.127 ( 4.608 7.178 -2.511) 8.892 2.173 ( 16.535 21.680 20.473) 34.097 2.448 ( 12.175 20.003 -5.400) 24.032 4.359 ( -4.779 -8.174 -6.712) 11.606 7.360 ( 4.723 8.653 2.583) 10.191 9.111 ( 17.729 22.275 -12.446) 31.071 10.537 ( -8.916 1.441 -20.841) 22.714 10.906 ( -1.386 -3.337 -2.466) 4.375 14.062 ( -6.973 -18.632 9.686) 22.127 14.778 ( 3.546 7.058 -10.226) 12.921 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 9.350 17.678 9.035) 21.944 1.693 ( 4.779 9.767 19.995) 22.761 2.262 ( 5.866 8.863 -4.688) 11.616 2.703 ( 15.662 13.756 8.614) 22.555 3.028 ( 26.197 27.393 -1.351) 37.927 4.224 ( -2.075 -2.140 -8.108) 8.638 7.584 ( 8.656 11.537 2.304) 14.606 9.133 ( -12.584 -13.437 5.558) 19.230 10.582 ( 10.215 10.559 -26.532) 30.328 10.838 ( -2.586 1.443 -7.202) 7.787 13.753 ( -11.110 -19.513 14.073) 26.500 14.824 ( -0.293 3.411 -12.464) 12.925 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 7.841 10.723 10.164) 16.727 1.949 ( 6.974 11.510 10.664) 17.171 2.483 ( 8.555 13.096 -3.281) 15.983 3.077 ( 12.459 8.754 3.150) 15.550 3.671 ( 19.140 16.274 -7.318) 26.167 4.261 ( 9.109 8.241 -1.221) 12.344 7.891 ( 11.373 13.948 1.813) 18.088 8.736 ( -16.149 -11.555 2.737) 20.045 10.660 ( -0.252 -3.354 -3.314) 4.722 10.868 ( 4.911 6.076 -22.768) 24.071 13.375 ( -15.595 -20.183 15.246) 29.715 14.784 ( -2.062 1.691 -11.182) 11.496 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 5.003 9.408 2.701) 10.993 2.214 ( 9.226 9.039 10.825) 16.853 2.775 ( 9.082 15.141 -1.510) 17.721 3.291 ( 5.565 2.735 -4.543) 7.687 3.923 ( 6.578 4.743 -6.138) 10.170 4.714 ( 22.036 17.090 3.565) 28.114 8.243 ( 11.787 14.559 1.143) 18.767 8.448 ( -7.779 -3.477 -0.217) 8.524 10.593 ( -3.083 -1.140 -0.541) 3.332 10.875 ( 0.855 -2.233 -19.230) 19.378 12.897 ( -21.614 -20.471 11.869) 32.048 14.752 ( 0.580 0.838 -6.307) 6.389 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 2.616 8.089 0.770) 8.537 2.496 ( 10.267 7.681 7.928) 15.075 3.060 ( 6.835 14.524 -0.723) 16.069 3.310 ( -0.443 -0.856 -11.786) 11.825 4.055 ( 5.148 2.995 1.521) 6.147 5.240 ( 19.329 13.304 2.677) 23.618 8.380 ( 3.009 2.355 -1.409) 4.073 8.604 ( 9.860 15.678 -0.305) 18.523 10.539 ( -2.476 0.018 -0.139) 2.480 10.762 ( -3.108 -5.007 -13.770) 14.978 12.312 ( -26.396 -18.826 6.717) 33.110 14.787 ( 4.283 -0.411 -0.911) 4.398 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 0.766 7.224 -0.067) 7.265 2.757 ( 9.708 5.892 5.439) 12.591 3.202 ( -2.364 -1.920 -13.080) 13.430 3.298 ( 2.077 13.183 -1.537) 13.434 4.156 ( 3.154 0.878 4.433) 5.510 5.639 ( 13.867 8.124 2.090) 16.207 8.555 ( 11.948 7.347 -3.139) 14.373 8.893 ( 6.320 14.292 -1.466) 15.696 10.500 ( -0.610 -2.600 -1.123) 2.897 10.607 ( -6.639 -3.684 -5.555) 9.408 11.706 ( -25.541 -13.089 2.451) 28.804 14.871 ( 6.164 -2.005 2.666) 7.009 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( -1.076 6.271 -0.475) 6.380 2.943 ( 2.714 0.375 -0.089) 2.742 3.105 ( 1.643 1.383 -10.545) 10.761 3.436 ( -1.345 12.330 -0.282) 12.406 4.204 ( 1.025 -1.325 4.768) 5.054 5.884 ( 7.499 3.036 1.764) 8.280 8.888 ( 17.860 9.543 -6.289) 21.204 9.085 ( 1.749 11.524 -2.382) 11.897 10.376 ( -13.711 -5.927 1.392) 15.002 10.476 ( 1.125 -4.907 1.154) 5.165 11.271 ( -15.184 -1.376 -1.046) 15.282 14.961 ( 5.970 -3.456 4.522) 8.248 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -2.902 4.977 -0.607) 5.793 2.830 ( -6.653 -3.862 -7.696) 10.881 3.267 ( 10.260 5.370 -3.626) 12.135 3.488 ( -5.600 10.380 -0.146) 11.795 4.191 ( -1.506 -3.434 4.733) 6.038 5.963 ( 0.262 -1.692 1.626) 2.362 9.158 ( -1.762 5.653 -3.542) 6.900 9.268 ( 15.767 7.452 -9.479) 19.849 10.061 ( -14.337 -3.386 8.146) 16.834 10.473 ( 2.159 -2.964 1.349) 3.907 11.145 ( -3.346 6.097 -2.032) 7.245 15.029 ( 4.679 -4.350 5.369) 8.345 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -4.584 3.188 -0.493) 5.605 2.648 ( -7.846 -3.386 -5.578) 10.204 3.442 ( -7.445 6.916 -1.024) 10.213 3.495 ( 8.650 6.099 -5.279) 11.828 4.114 ( -4.292 -5.023 5.688) 8.718 5.869 ( -7.557 -5.735 1.679) 9.634 9.102 ( -6.040 -1.864 -1.561) 6.511 9.337 ( -8.158 -3.416 -2.422) 9.170 10.097 ( 13.303 10.744 -1.580) 17.173 10.486 ( -0.432 1.875 1.087) 2.210 11.228 ( 5.556 6.560 -0.599) 8.617 15.071 ( 3.496 -4.370 5.538) 7.874 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -6.077 0.353 -0.041) 6.087 2.463 ( -9.002 -2.165 -2.250) 9.528 3.314 ( -13.040 5.044 -0.172) 13.982 3.673 ( 6.819 2.531 -10.576) 12.836 4.000 ( -4.308 -4.224 8.245) 10.217 5.602 ( -15.636 -8.930 1.859) 18.102 8.918 ( -9.335 -7.107 1.341) 11.809 9.088 ( -14.429 -3.641 2.459) 15.083 10.423 ( 5.146 3.411 -1.066) 6.265 10.609 ( 16.107 14.400 -11.803) 24.620 11.442 ( 11.476 5.658 3.478) 13.259 15.103 ( 3.096 -3.535 4.802) 6.718 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 0.000 19.667 10.963) 22.516 1.604 ( 0.000 16.268 19.285) 25.230 2.141 ( -0.000 6.624 -5.894) 8.866 2.334 ( 0.000 25.256 20.403) 32.468 2.570 ( 0.000 29.008 -4.395) 29.339 4.293 ( -0.000 -7.257 -8.256) 10.991 7.426 ( 0.000 11.503 2.401) 11.751 9.148 ( 0.000 13.586 -2.854) 13.883 10.595 ( -0.000 6.676 -28.176) 28.956 10.849 ( -0.000 -6.018 -1.493) 6.201 13.936 ( -0.000 -23.256 11.424) 25.911 14.799 ( -0.000 8.365 -10.609) 13.510 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 4.225 17.762 9.339) 20.507 1.815 ( 1.161 12.306 18.583) 22.318 2.247 ( 5.033 9.915 -5.529) 12.418 2.678 ( 7.925 17.935 8.454) 21.353 3.001 ( 12.298 34.844 -0.359) 36.953 4.202 ( -1.006 -2.207 -8.748) 9.078 7.604 ( 4.881 14.257 2.240) 15.235 9.162 ( -3.993 -10.839 6.758) 13.383 10.554 ( -2.170 11.093 -26.589) 28.892 10.819 ( 2.181 -2.054 -7.553) 8.125 13.699 ( -4.135 -24.698 14.043) 28.711 14.841 ( -0.417 6.260 -11.958) 13.504 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 4.838 12.005 9.527) 16.071 2.021 ( 3.283 12.665 12.451) 18.061 2.476 ( 8.448 15.327 -3.629) 17.873 2.994 ( 9.169 11.750 2.831) 15.171 3.551 ( 14.532 23.531 -5.028) 28.110 4.220 ( 4.713 8.406 -3.461) 10.239 7.883 ( 8.598 17.030 2.266) 19.211 8.879 ( -13.255 -13.565 4.085) 19.401 10.582 ( 3.128 1.586 -10.741) 11.300 10.815 ( 1.159 1.744 -16.246) 16.380 13.392 ( -8.024 -25.350 14.961) 30.510 14.824 ( -3.131 4.005 -11.681) 12.739 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 5.467 10.457 6.593) 13.516 2.233 ( 4.018 10.732 9.144) 14.660 2.794 ( 8.899 18.923 -1.634) 20.975 3.208 ( 6.025 3.989 -3.671) 8.105 3.848 ( 6.725 8.283 -6.845) 12.676 4.573 ( 16.594 20.318 2.787) 26.381 8.233 ( 9.865 18.541 2.343) 21.132 8.566 ( -10.699 -5.737 0.768) 12.165 10.605 ( 1.116 -0.466 -1.947) 2.292 10.774 ( 0.488 -2.873 -18.368) 18.598 13.005 ( -13.080 -25.214 12.669) 31.102 14.763 ( -3.096 1.886 -8.581) 9.315 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 2.408 10.930 1.561) 11.301 2.451 ( 7.236 8.253 9.638) 14.607 3.114 ( 6.235 17.696 -1.158) 18.798 3.265 ( 1.839 0.955 -10.001) 10.213 4.003 ( 5.380 5.129 -0.142) 7.434 5.073 ( 17.551 16.568 2.371) 24.251 8.392 ( -2.201 1.438 0.535) 2.683 8.631 ( 8.488 19.871 1.221) 21.642 10.585 ( -3.238 -0.809 -3.387) 4.756 10.689 ( 1.192 -4.108 -12.049) 12.786 12.521 ( -18.831 -22.818 7.887) 30.618 14.723 ( 0.551 -1.043 -3.746) 3.927 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 0.111 10.688 0.626) 10.706 2.683 ( 8.048 6.339 7.097) 12.463 3.176 ( -1.353 -2.115 -12.406) 12.658 3.420 ( 2.928 19.124 -1.101) 19.378 4.123 ( 3.461 2.269 3.254) 5.265 5.487 ( 14.432 9.829 1.836) 17.558 8.464 ( 5.973 6.625 -0.205) 8.922 8.961 ( 5.892 19.425 0.724) 20.311 10.464 ( -2.187 -7.147 -8.089) 11.013 10.667 ( -2.540 2.687 -1.934) 4.173 11.983 ( -21.733 -16.612 3.034) 27.523 14.740 ( 4.912 -4.404 0.442) 6.612 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( -2.062 10.174 -0.006) 10.381 2.880 ( 6.357 2.859 4.046) 8.059 3.082 ( -1.824 -0.631 -12.480) 12.629 3.623 ( -1.274 18.742 -0.173) 18.786 4.183 ( 1.277 -0.609 3.976) 4.220 5.769 ( 10.072 3.462 1.648) 10.777 8.706 ( 12.449 9.319 -1.979) 15.676 9.201 ( 1.138 16.000 -0.126) 16.041 10.363 ( 1.798 -7.134 -5.292) 9.063 10.584 ( -10.792 1.099 2.480) 11.128 11.528 ( -17.197 -5.070 -0.884) 17.951 14.798 ( 7.560 -7.098 2.970) 10.786 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -4.269 8.494 -0.476) 9.518 2.877 ( -4.509 -2.214 -6.005) 7.829 3.147 ( 7.948 4.724 -3.620) 9.929 3.741 ( -6.202 17.642 0.217) 18.701 4.181 ( -0.473 -3.427 3.917) 5.226 5.909 ( 4.647 -1.800 1.587) 5.230 9.015 ( 13.489 6.212 -6.008) 16.019 9.317 ( -2.278 11.464 0.487) 11.698 10.319 ( -9.203 -7.406 2.224) 12.020 10.388 ( -2.359 4.099 1.335) 4.914 11.309 ( -8.795 4.836 -2.803) 10.421 14.867 ( 8.086 -8.494 4.102) 12.424 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( -5.850 4.032 -0.946) 7.167 2.748 ( -7.321 1.436 -4.813) 8.878 3.334 ( 9.784 3.933 -5.148) 11.734 3.758 ( -11.320 16.071 0.343) 19.661 4.126 ( -1.924 -5.790 4.530) 7.599 5.901 ( -1.895 -5.568 1.588) 6.092 9.112 ( -0.565 -6.170 -4.365) 7.579 9.429 ( -0.343 10.305 -1.169) 10.377 10.123 ( -5.009 3.625 2.210) 6.566 10.486 ( 3.530 6.160 1.535) 7.264 11.261 ( -2.467 5.726 -2.580) 6.747 14.928 ( 7.366 -8.469 4.205) 11.986 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -6.565 -0.846 -0.536) 6.641 2.628 ( -9.486 4.871 -1.936) 10.838 3.507 ( 7.468 2.825 -8.387) 11.580 3.676 ( -14.231 12.619 -0.670) 19.032 4.038 ( -2.928 -6.095 6.733) 9.543 5.743 ( -9.373 -7.663 1.652) 12.219 8.955 ( -5.566 -10.305 0.263) 11.715 9.350 ( -14.624 2.718 0.217) 14.876 10.299 ( 13.393 11.143 -5.402) 18.241 10.596 ( 0.024 9.276 -0.226) 9.279 11.334 ( 6.573 3.729 0.369) 7.566 14.980 ( 6.483 -7.291 3.302) 10.300 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 0.000 14.384 7.540) 16.241 1.983 ( 0.000 11.559 17.340) 20.840 2.283 ( 0.000 11.872 -5.860) 13.240 2.821 ( 0.000 18.244 5.298) 18.998 3.258 ( 0.000 35.377 -0.828) 35.386 4.178 ( -0.000 2.141 -7.599) 7.895 7.716 ( 0.000 16.218 1.531) 16.290 9.110 ( -0.000 -12.485 7.389) 14.507 10.627 ( -0.000 10.812 -31.480) 33.285 10.710 ( -0.000 -6.889 -0.991) 6.960 13.519 ( -0.000 -26.826 15.150) 30.809 14.879 ( -0.000 6.969 -11.765) 13.674 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 3.450 10.252 5.556) 12.160 2.145 ( 0.794 10.760 14.261) 17.883 2.471 ( 7.646 15.505 -3.749) 17.689 3.023 ( 3.092 13.242 0.866) 13.626 3.609 ( 5.174 23.397 -5.264) 24.533 4.254 ( 2.983 14.797 -1.929) 15.217 7.939 ( 5.668 18.085 1.268) 18.994 8.938 ( -7.162 -12.487 3.422) 14.796 10.557 ( -2.117 1.208 -11.572) 11.825 10.721 ( 4.204 -2.114 -13.738) 14.521 13.266 ( -3.306 -27.988 15.162) 32.002 14.889 ( -2.508 5.864 -11.292) 12.969 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 5.315 8.815 4.451) 11.215 2.313 ( 2.290 9.685 10.831) 14.709 2.801 ( 11.352 18.117 -1.799) 21.455 3.162 ( 2.731 5.001 -5.027) 7.599 3.831 ( 4.162 11.146 -5.478) 13.099 4.577 ( 9.620 24.681 2.346) 26.593 8.265 ( 9.377 19.506 1.663) 21.706 8.687 ( -9.729 -6.312 -0.585) 11.612 10.547 ( 2.871 0.058 -4.923) 5.700 10.685 ( 0.506 -5.235 -13.144) 14.157 12.943 ( -6.811 -28.470 13.218) 32.119 14.838 ( -5.177 3.828 -9.592) 11.552 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 6.196 9.460 3.007) 11.701 2.477 ( 3.037 8.146 9.227) 12.677 3.159 ( 5.056 11.970 -3.761) 13.527 3.206 ( 6.524 6.705 -7.274) 11.850 3.983 ( 4.018 7.699 -0.546) 8.701 5.006 ( 11.902 20.584 1.974) 23.859 8.474 ( -4.568 2.036 -0.101) 5.002 8.686 ( 8.914 19.684 0.967) 21.630 10.555 ( -1.047 -8.572 -13.360) 15.908 10.621 ( 3.125 2.834 -0.429) 4.241 12.551 ( -10.708 -26.944 9.481) 30.505 14.744 ( -5.021 0.726 -6.464) 8.217 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 2.432 10.978 1.227) 11.311 2.647 ( 6.040 5.762 8.368) 11.820 3.134 ( -0.614 -2.228 -11.537) 11.767 3.528 ( 7.227 19.289 -1.085) 20.627 4.111 ( 3.055 4.968 2.366) 6.294 5.375 ( 11.121 12.368 1.326) 16.685 8.475 ( 0.972 6.774 0.392) 6.854 9.050 ( 7.812 20.213 1.664) 21.734 10.388 ( -2.421 -9.980 -10.194) 14.470 10.722 ( 2.005 6.727 -0.285) 7.026 12.114 ( -13.946 -21.677 4.875) 26.233 14.658 ( -1.365 -3.501 -2.742) 4.653 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( -0.477 10.838 1.286) 10.925 2.822 ( 5.554 3.451 5.109) 8.297 3.064 ( -0.876 -0.776 -11.395) 11.455 3.794 ( 2.987 16.611 0.043) 16.877 4.197 ( 0.399 4.727 2.696) 5.456 5.635 ( 9.407 3.913 1.155) 10.254 8.637 ( 7.038 10.389 0.790) 12.573 9.331 ( 2.947 15.807 1.426) 16.142 10.240 ( 0.275 -9.562 -7.300) 12.033 10.784 ( -5.086 8.554 1.540) 10.070 11.714 ( -13.085 -11.219 0.159) 17.237 14.619 ( 3.813 -7.766 0.378) 8.660 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( -4.323 7.738 -1.356) 8.967 2.895 ( 0.520 0.431 -0.120) 0.686 3.078 ( 3.775 5.078 -5.617) 8.461 3.955 ( 0.583 9.014 2.298) 9.321 4.235 ( -4.570 8.894 1.065) 10.056 5.784 ( 7.105 -2.984 1.260) 7.809 8.888 ( 9.142 9.472 -0.905) 13.195 9.461 ( -1.940 8.744 1.702) 9.117 10.178 ( 4.595 -8.690 -4.568) 10.840 10.712 ( -13.841 10.842 4.265) 18.092 11.480 ( -8.002 0.647 -3.495) 8.755 14.635 ( 7.936 -10.501 2.185) 13.343 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -5.865 0.521 -2.780) 6.512 2.901 ( -5.060 8.114 -1.139) 9.630 3.208 ( 7.090 3.886 -4.491) 9.249 4.015 ( 0.285 -0.004 4.935) 4.943 4.215 ( -11.221 13.842 -0.854) 17.839 5.829 ( 3.465 -7.117 1.356) 8.031 9.043 ( 1.786 -0.439 -2.623) 3.203 9.525 ( 0.786 8.682 2.498) 9.069 10.142 ( 1.865 -8.201 -3.213) 9.003 10.660 ( -8.741 18.692 4.748) 21.174 11.377 ( -6.131 3.223 -4.194) 8.098 14.689 ( 9.753 -10.945 2.527) 14.876 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -6.403 -0.381 -0.785) 6.462 2.857 ( -9.378 8.355 -1.128) 12.611 3.358 ( 8.459 2.328 -7.218) 11.361 4.008 ( 0.365 -5.495 6.736) 8.701 4.110 ( -17.319 14.885 -1.351) 22.877 5.770 ( -2.040 -8.080 1.350) 8.442 8.948 ( -5.188 -7.756 -0.213) 9.333 9.582 ( -6.961 4.292 1.109) 8.253 10.166 ( 9.301 2.697 -4.968) 10.884 10.772 ( -4.203 18.892 3.533) 19.674 11.305 ( -1.476 -0.127 -2.457) 2.869 14.762 ( 9.665 -9.531 1.536) 13.660 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 0.000 7.704 2.862) 8.218 2.281 ( 0.000 9.041 13.676) 16.395 2.543 ( 0.000 16.181 -3.005) 16.457 3.117 ( 0.000 9.626 -3.423) 10.217 3.751 ( 0.000 15.956 -5.835) 16.989 4.425 ( 0.000 25.287 1.468) 25.329 8.069 ( 0.000 18.321 0.018) 18.321 8.893 ( -0.000 -9.939 -0.385) 9.947 10.577 ( -0.000 0.200 -19.405) 19.406 10.580 ( -0.000 -5.542 0.018) 5.542 13.054 ( -0.000 -29.453 14.526) 32.841 14.943 ( -0.000 6.422 -10.410) 12.232 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 4.232 6.597 1.640) 8.008 2.409 ( 0.791 7.798 11.845) 14.204 2.779 ( 9.030 16.148 -1.676) 18.577 3.167 ( 0.143 3.546 -8.339) 9.063 3.886 ( 1.465 11.867 -2.987) 12.324 4.738 ( 3.663 28.325 2.381) 28.660 8.311 ( 6.899 18.395 -0.282) 19.648 8.754 ( -5.372 -5.273 -4.680) 8.864 10.499 ( 0.162 -1.681 -6.287) 6.510 10.570 ( 2.383 -5.516 -5.829) 8.371 12.772 ( -2.997 -30.321 12.528) 32.944 14.940 ( -4.034 5.520 -9.171) 11.439 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 7.388 6.907 1.474) 10.221 2.537 ( 1.991 6.369 10.431) 12.383 3.125 ( 9.434 9.072 -5.176) 14.074 3.159 ( 3.796 6.829 -6.862) 10.398 4.016 ( 1.838 9.094 0.020) 9.278 5.088 ( 5.344 23.941 1.715) 24.590 8.564 ( -2.072 4.611 -3.052) 5.904 8.709 ( 8.212 15.061 -2.162) 17.290 10.449 ( -0.362 -7.424 -8.256) 11.109 10.576 ( 4.063 0.830 0.373) 4.163 12.434 ( -5.482 -29.594 9.664) 31.611 14.857 ( -7.571 3.366 -7.437) 11.134 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 8.297 7.402 1.737) 11.254 2.664 ( 2.764 5.185 8.887) 10.654 3.091 ( -0.757 -1.569 -11.209) 11.343 3.532 ( 12.759 16.623 -1.123) 20.986 4.125 ( 2.188 5.700 1.745) 6.350 5.382 ( 4.833 16.159 0.963) 16.894 8.546 ( -1.240 6.622 -2.522) 7.194 9.082 ( 11.393 18.234 0.225) 21.502 10.308 ( -2.978 -9.301 -6.774) 11.886 10.708 ( 6.716 5.524 0.369) 8.704 12.071 ( -7.128 -25.789 6.519) 27.539 14.714 ( -8.299 -0.007 -5.135) 9.759 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 4.291 1.823 7.704) 9.005 2.818 ( 4.784 10.058 0.656) 11.157 3.030 ( -0.512 -0.878 -10.130) 10.181 3.853 ( 6.264 12.602 -0.672) 14.089 4.237 ( 4.145 7.080 2.041) 8.455 5.571 ( 3.601 6.819 0.576) 7.733 8.655 ( 3.944 10.837 0.078) 11.533 9.405 ( 6.457 13.976 0.693) 15.412 10.142 ( -2.809 -9.398 -5.470) 11.231 10.891 ( 4.622 9.599 0.295) 10.658 11.744 ( -6.770 -17.436 3.099) 18.959 14.561 ( -5.161 -4.342 -2.478) 7.186 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( 1.826 -1.218 1.716) 2.786 2.919 ( -1.388 6.170 -0.065) 6.325 3.066 ( 4.198 7.169 -5.013) 9.703 3.968 ( 0.811 0.530 1.621) 1.888 4.429 ( 1.981 17.192 0.299) 17.308 5.651 ( 3.667 -2.745 0.642) 4.625 8.868 ( 6.314 11.681 1.122) 13.325 9.563 ( -0.302 6.654 1.227) 6.773 10.016 ( 1.244 -9.159 -4.568) 10.310 11.013 ( -4.449 12.350 2.793) 13.421 11.548 ( -3.055 -5.050 -1.660) 6.131 14.454 ( 0.909 -8.384 -0.130) 8.435 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( -4.340 -0.026 -2.898) 5.219 2.996 ( 2.590 3.568 2.430) 5.034 3.189 ( 0.943 9.820 -4.700) 10.928 3.954 ( 1.172 -6.657 3.541) 7.630 4.583 ( -7.474 21.473 -0.727) 22.749 5.664 ( 5.293 -9.736 0.931) 11.121 9.042 ( 1.338 5.492 0.484) 5.673 9.594 ( -0.333 5.061 2.506) 5.658 9.970 ( 4.814 -9.107 -4.521) 11.250 11.032 ( -9.140 15.994 5.308) 19.171 11.481 ( -4.026 1.618 -4.918) 6.558 14.432 ( 7.049 -10.119 0.918) 12.366 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -5.751 0.985 -0.635) 5.869 3.054 ( -2.347 4.759 0.403) 5.322 3.266 ( 1.511 6.501 -6.411) 9.254 3.922 ( 2.717 -8.440 4.993) 10.176 4.569 ( -16.537 17.470 -0.719) 24.066 5.658 ( 5.023 -9.986 1.017) 11.224 8.999 ( -6.561 -2.793 1.339) 7.255 9.681 ( 0.132 4.560 1.468) 4.792 9.989 ( 8.783 -3.385 -4.862) 10.594 11.088 ( -5.925 18.442 5.723) 20.198 11.364 ( -8.039 -1.513 -4.781) 9.474 14.492 ( 10.349 -8.885 0.182) 13.641 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 0.000 5.327 0.481) 5.349 2.506 ( 0.000 5.972 11.380) 12.852 2.843 ( 0.000 14.706 -1.222) 14.757 3.157 ( -0.000 0.606 -11.227) 11.243 3.987 ( 0.000 11.430 -0.498) 11.441 4.999 ( 0.000 27.961 1.967) 28.030 8.416 ( 0.000 16.682 -1.579) 16.756 8.735 ( -0.000 -2.939 -9.366) 9.817 10.444 ( -0.000 -4.632 -5.770) 7.399 10.505 ( -0.000 -2.139 1.173) 2.439 12.526 ( -0.000 -31.421 10.468) 33.119 15.010 ( -0.000 6.024 -8.148) 10.133 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 5.318 4.999 0.289) 7.304 2.598 ( 0.900 4.324 10.886) 11.747 3.057 ( 7.596 10.838 -2.569) 13.482 3.126 ( 1.881 1.740 -10.117) 10.437 4.094 ( 0.102 9.204 0.707) 9.231 5.279 ( 1.459 24.040 1.226) 24.115 8.614 ( 2.022 8.958 -4.601) 10.271 8.698 ( 4.292 7.545 -7.579) 11.523 10.382 ( -1.047 -5.303 -1.528) 5.617 10.522 ( 2.846 0.492 1.551) 3.278 12.223 ( -2.074 -31.016 7.895) 32.072 14.997 ( -5.482 5.161 -7.030) 10.301 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 9.161 5.132 0.437) 10.510 2.689 ( 2.025 2.541 10.589) 11.077 3.060 ( -0.532 -0.364 -10.800) 10.819 3.425 ( 15.453 12.748 -0.935) 20.054 4.169 ( -0.288 5.589 1.040) 5.692 5.514 ( 0.795 17.976 0.569) 18.003 8.616 ( -1.070 6.006 -6.920) 9.226 9.018 ( 14.285 14.371 -2.018) 20.363 10.281 ( -4.001 -5.500 -0.593) 6.827 10.625 ( 6.827 2.359 1.333) 7.345 11.907 ( -2.735 -27.579 5.786) 28.312 14.882 ( -10.211 3.205 -5.775) 12.161 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 7.671 3.000 2.761) 8.687 2.793 ( 5.630 3.096 6.863) 9.402 3.018 ( -1.165 1.089 -8.750) 8.895 3.813 ( 13.543 12.297 -1.298) 18.339 4.216 ( 2.412 2.442 1.375) 3.698 5.651 ( -1.758 10.574 0.116) 10.720 8.696 ( 3.024 9.844 -3.039) 10.737 9.376 ( 11.592 11.245 -1.543) 16.224 10.138 ( -6.293 -4.946 -0.383) 8.013 10.809 ( 11.242 3.173 -0.312) 11.685 11.643 ( -2.007 -19.649 4.701) 20.303 14.689 ( -12.128 0.421 -4.132) 12.820 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 3.083 -1.638 4.681) 5.840 2.989 ( -1.953 2.707 -4.642) 5.717 3.008 ( 9.695 7.036 0.580) 11.993 3.991 ( -1.391 2.493 -0.840) 2.976 4.423 ( 14.270 9.712 0.866) 17.283 5.658 ( -4.651 2.174 -0.071) 5.134 8.880 ( 6.050 11.145 -0.195) 12.683 9.588 ( 4.408 4.610 -1.426) 6.536 9.974 ( -6.432 -5.147 -0.195) 8.241 11.055 ( 11.333 5.682 -1.766) 12.800 11.496 ( 0.118 -8.679 3.810) 9.479 14.473 ( -9.823 -2.719 -2.088) 10.404 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 0.680 -0.882 0.290) 1.150 2.983 ( -0.051 1.720 -0.363) 1.759 3.234 ( 6.533 9.415 -0.528) 11.472 3.916 ( -3.876 -5.129 0.392) 6.441 4.781 ( 9.780 16.478 0.019) 19.161 5.545 ( -4.667 -7.623 0.109) 8.939 9.072 ( 3.715 6.962 0.504) 7.907 9.649 ( 0.606 3.308 0.213) 3.370 9.836 ( -2.067 -6.570 -1.237) 6.998 11.234 ( 1.569 6.649 0.742) 6.872 11.495 ( 2.657 0.459 -0.224) 2.706 14.314 ( -3.141 -4.856 -0.338) 5.793 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( -3.370 1.910 -0.232) 3.881 3.020 ( 3.553 -0.856 -0.227) 3.662 3.390 ( -1.164 11.679 -2.799) 12.066 3.803 ( 0.407 -9.972 2.743) 10.350 4.989 ( -10.245 18.517 -0.593) 21.170 5.422 ( 7.249 -14.296 0.685) 16.044 9.096 ( -4.487 -0.440 1.428) 4.729 9.712 ( -0.631 1.632 1.266) 2.160 9.806 ( 7.426 -0.371 -3.283) 8.128 11.265 ( -2.548 1.272 2.307) 3.665 11.516 ( -4.703 5.811 -1.850) 7.701 14.283 ( 4.823 -4.224 -0.165) 6.413 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 0.000 4.024 0.001) 4.024 2.656 ( 0.000 2.312 10.941) 11.183 3.076 ( -0.000 -0.587 -11.361) 11.376 3.096 ( 0.000 11.151 -0.525) 11.164 4.183 ( 0.000 7.733 0.733) 7.767 5.497 ( 0.000 21.076 0.519) 21.082 8.666 ( -0.000 2.817 -12.200) 12.521 8.694 ( 0.000 12.252 -1.982) 12.411 10.360 ( 0.000 -2.859 3.533) 4.544 10.509 ( 0.000 1.438 1.424) 2.024 11.950 ( -0.000 -31.017 5.304) 31.468 15.081 ( -0.000 5.447 -6.287) 8.318 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 6.039 3.570 0.107) 7.016 2.710 ( 0.978 0.262 11.037) 11.084 3.039 ( -0.346 1.035 -9.476) 9.538 3.294 ( 10.846 9.282 -0.540) 14.285 4.240 ( -1.132 5.048 0.221) 5.178 5.685 ( -0.224 16.381 -0.049) 16.382 8.664 ( -0.530 6.233 -8.726) 10.737 8.901 ( 11.129 10.223 -2.100) 15.257 10.323 ( -3.399 -1.326 4.165) 5.537 10.557 ( 3.021 1.201 1.121) 3.439 11.665 ( 0.171 -27.773 3.366) 27.977 15.056 ( -6.646 4.538 -5.562) 9.783 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 9.944 3.032 0.176) 10.397 2.760 ( 2.178 -1.670 9.731) 10.111 3.030 ( -0.367 3.249 -6.457) 7.238 3.630 ( 17.624 8.386 -0.628) 19.527 4.243 ( -2.237 1.737 -0.268) 2.845 5.800 ( -2.389 10.798 -0.411) 11.066 8.733 ( 2.011 9.304 -4.060) 10.349 9.229 ( 15.307 8.201 -1.987) 17.478 10.244 ( -6.987 0.835 3.260) 7.755 10.629 ( 7.295 -4.046 -0.559) 8.360 11.462 ( 2.400 -18.433 3.266) 18.874 14.913 ( -12.232 3.037 -4.612) 13.420 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 4.280 -1.813 3.632) 5.899 2.867 ( 10.131 1.629 2.261) 10.507 3.047 ( -0.848 4.838 -1.766) 5.220 3.996 ( 10.454 6.994 -2.181) 12.766 4.240 ( 6.642 -0.613 0.693) 6.707 5.802 ( -6.427 4.956 -0.648) 8.142 8.884 ( 4.783 9.684 -0.559) 10.815 9.502 ( 9.172 3.429 -2.627) 10.138 10.111 ( -10.357 0.485 2.724) 10.721 10.778 ( 17.298 -4.858 -2.854) 18.192 11.404 ( 3.533 -7.219 4.438) 9.181 14.686 ( -14.908 1.530 -3.129) 15.310 ======================= Grid point 1039 (369/489) ======================= q-point: ( 0.76 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 3.024 -2.991 2.523) 4.945 3.018 ( 0.985 2.990 -2.465) 3.998 3.150 ( 9.180 4.969 3.825) 11.117 3.982 ( -6.977 -1.465 -2.738) 7.637 4.576 ( 22.546 4.125 0.781) 22.934 5.672 ( -11.249 -0.126 -0.717) 11.273 9.046 ( 4.872 3.952 -0.284) 6.280 9.617 ( 4.189 2.228 -2.582) 5.402 9.934 ( -10.366 -0.771 3.347) 10.920 11.078 ( 18.559 0.627 -4.840) 19.190 11.434 ( 3.531 -2.920 5.269) 6.983 14.442 ( -13.076 0.843 -1.225) 13.161 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 0.000 2.659 0.226) 2.669 2.728 ( 0.000 -1.843 10.804) 10.960 3.036 ( -0.000 2.917 -6.963) 7.549 3.274 ( 0.000 6.947 -0.161) 6.948 4.294 ( 0.000 3.426 -0.722) 3.501 5.832 ( 0.000 12.698 -0.584) 12.711 8.714 ( -0.000 8.078 -6.181) 10.171 8.881 ( 0.000 7.706 -0.509) 7.723 10.360 ( 0.000 -0.795 4.677) 4.744 10.557 ( 0.000 2.274 0.129) 2.277 11.397 ( -0.000 -25.417 1.276) 25.449 15.143 ( -0.000 4.264 -5.266) 6.775 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 6.297 1.932 0.306) 6.594 2.738 ( 0.823 -3.578 9.413) 10.104 3.060 ( -0.045 5.228 -3.262) 6.162 3.433 ( 11.464 4.927 -0.109) 12.478 4.296 ( -2.005 1.186 -1.631) 2.843 5.924 ( -1.224 8.080 -0.900) 8.221 8.800 ( 0.596 10.652 -0.825) 10.701 9.052 ( 11.358 5.855 -0.035) 12.778 10.353 ( -0.937 0.299 2.595) 2.775 10.533 ( -3.284 -4.160 -1.800) 5.598 11.229 ( 5.058 -15.540 1.491) 16.410 15.103 ( -7.178 3.294 -4.831) 9.258 ======================= Grid point 1055 (372/489) ======================= q-point: ( 0.71 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 8.930 0.286 0.302) 8.940 2.753 ( 3.404 -3.632 6.708) 8.353 3.112 ( -0.492 6.551 0.443) 6.584 3.745 ( 19.357 3.446 -0.312) 19.664 4.238 ( -3.837 -1.339 -2.230) 4.636 5.935 ( -4.027 3.271 -1.127) 5.309 8.928 ( 1.343 9.849 3.087) 10.408 9.332 ( 13.675 3.948 -1.038) 14.271 10.317 ( -10.850 0.998 1.512) 11.000 10.444 ( 10.950 -8.418 -3.617) 14.278 11.256 ( 7.352 -5.089 2.733) 9.350 14.943 ( -12.834 2.487 -3.873) 13.635 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 3.102 -4.148 2.344) 5.686 2.891 ( 11.615 -0.377 1.183) 11.681 3.171 ( -0.925 6.823 3.720) 7.826 4.058 ( 1.320 1.384 -4.521) 4.909 4.206 ( 16.058 -3.344 1.160) 16.443 5.840 ( -8.032 -0.492 -1.202) 8.136 9.021 ( 0.766 1.593 2.248) 2.860 9.546 ( 7.552 4.231 -2.110) 8.910 10.117 ( -9.756 -2.237 2.321) 10.275 10.699 ( 21.411 1.509 -3.709) 21.782 11.341 ( 5.098 -3.311 3.682) 7.107 14.711 ( -15.256 2.642 -2.205) 15.639 ======================= Grid point 1071 (374/489) ======================= q-point: ( 0.65 0.65 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 0.000 1.050 0.571) 1.195 2.717 ( 0.000 -4.804 8.334) 9.620 3.117 ( 0.000 7.127 0.364) 7.136 3.367 ( 0.000 2.484 0.055) 2.484 4.313 ( -0.000 -0.331 -2.709) 2.730 5.992 ( 0.000 4.000 -1.197) 4.176 8.919 ( 0.000 12.826 4.912) 13.734 9.001 ( 0.000 4.031 1.763) 4.399 10.301 ( -0.000 -7.888 -3.315) 8.557 10.578 ( -0.000 -0.078 -1.830) 1.832 11.052 ( -0.000 -7.763 1.906) 7.993 15.180 ( -0.000 2.464 -4.956) 5.535 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 6.045 0.005 0.464) 6.063 2.694 ( 0.890 -5.556 6.676) 8.731 3.199 ( -0.353 8.470 3.424) 9.142 3.486 ( 11.864 0.342 0.118) 11.870 4.270 ( -2.428 -2.185 -3.632) 4.885 5.993 ( -1.622 -0.523 -1.435) 2.228 9.046 ( -0.952 8.335 7.822) 11.470 9.153 ( 10.405 5.626 3.219) 12.259 10.209 ( 2.737 -11.147 -7.688) 13.815 10.495 ( -6.396 1.443 -0.828) 6.609 11.104 ( 6.934 0.563 2.217) 7.302 15.124 ( -6.935 1.711 -4.620) 8.506 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 5.489 -3.156 0.629) 6.362 2.708 ( 6.723 -4.251 4.032) 8.918 3.285 ( -1.408 8.806 5.568) 10.514 3.760 ( 20.075 -1.867 -0.050) 20.162 4.167 ( -4.577 -3.818 -4.345) 7.375 5.915 ( -3.963 -4.380 -1.562) 6.109 9.068 ( -3.693 -1.148 5.266) 6.533 9.415 ( 11.736 3.690 1.722) 12.423 10.148 ( 1.791 -4.946 -3.243) 6.180 10.499 ( 4.790 6.475 -1.331) 8.164 11.239 ( 5.619 1.334 2.120) 6.152 14.964 ( -11.816 1.885 -3.479) 12.461 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 0.000 -0.843 0.699) 1.095 2.647 ( 0.000 -6.513 5.732) 8.676 3.309 ( 0.000 9.913 6.034) 11.605 3.372 ( -0.000 -2.034 0.160) 2.040 4.249 ( -0.000 -3.877 -4.682) 6.079 5.973 ( -0.000 -5.073 -1.662) 5.338 9.056 ( 0.000 -0.316 3.034) 3.051 9.226 ( 0.000 8.600 13.535) 16.037 10.075 ( -0.000 -4.808 -9.354) 10.517 10.531 ( -0.000 -2.821 -2.925) 4.063 11.096 ( 0.000 8.205 1.932) 8.430 15.181 ( -0.000 0.780 -5.030) 5.091 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 5.196 -2.234 0.355) 5.667 2.602 ( 1.323 -7.149 4.367) 8.481 3.413 ( 1.251 6.026 6.063) 8.639 3.458 ( 9.577 -0.100 1.911) 9.766 4.166 ( -2.285 -5.392 -5.689) 8.165 5.885 ( -1.242 -9.342 -1.815) 9.597 9.082 ( 1.529 -4.872 2.744) 5.797 9.294 ( 2.761 -3.536 6.791) 8.139 10.100 ( 2.544 9.700 -2.148) 10.255 10.499 ( 1.018 -0.203 -1.673) 1.969 11.223 ( 2.544 9.407 0.522) 9.759 15.118 ( -6.010 0.676 -4.666) 7.638 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -0.000 -3.033 0.468) 3.069 2.528 ( -0.000 -8.373 3.455) 9.058 3.289 ( -0.000 -6.406 0.154) 6.408 3.563 ( 0.000 10.206 9.464) 13.919 4.105 ( -0.000 -6.901 -6.916) 9.770 5.771 ( -0.000 -14.253 -1.976) 14.389 9.003 ( -0.000 -7.238 2.062) 7.526 9.213 ( -0.000 -12.789 0.347) 12.794 10.262 ( 0.000 23.120 7.886) 24.427 10.456 ( -0.000 -2.380 -2.035) 3.131 11.321 ( 0.000 13.338 -1.611) 13.435 15.157 ( -0.000 0.162 -5.237) 5.239 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 0.000 -0.000 19.374) 19.374 0.788 ( 0.000 -0.000 19.374) 19.374 1.701 ( 0.000 -0.000 43.684) 43.684 2.031 ( -0.000 0.000 -5.138) 5.138 2.031 ( -0.000 0.000 -5.138) 5.138 4.929 ( -0.000 0.000 -16.818) 16.818 7.192 ( 0.000 -0.000 2.845) 2.845 7.192 ( 0.000 -0.000 2.845) 2.845 10.988 ( 0.000 0.000 -1.602) 1.602 10.988 ( 0.000 0.000 -1.602) 1.602 14.419 ( 0.000 -0.000 1.458) 1.458 14.562 ( -0.000 0.000 -0.844) 0.844 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 11.784 6.804 16.038) 21.032 1.226 ( 20.957 12.099 17.236) 29.709 1.943 ( 12.362 7.137 34.588) 37.417 2.047 ( 2.803 1.618 -5.280) 6.193 2.169 ( 12.641 7.298 -4.514) 15.278 4.538 ( -16.177 -9.340 -8.115) 20.366 7.256 ( 4.784 2.762 2.754) 6.173 8.268 ( 64.031 36.968 -22.112) 77.172 10.696 ( -21.197 -12.238 -3.682) 24.752 10.955 ( -2.579 -1.489 -1.603) 3.382 14.324 ( -9.186 -5.304 4.468) 11.510 14.639 ( 6.496 3.750 -5.458) 9.276 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 16.500 9.526 11.430) 22.218 1.618 ( 8.729 5.040 22.630) 24.773 2.128 ( 5.799 3.348 -5.324) 8.554 2.486 ( 20.024 11.561 16.505) 28.408 2.571 ( 28.444 16.422 -3.417) 33.021 4.263 ( -6.644 -3.836 -9.372) 12.112 7.424 ( 9.157 5.287 2.412) 10.845 9.233 ( 14.020 8.095 -3.271) 16.516 10.301 ( 0.847 0.489 -24.002) 24.021 10.866 ( -4.543 -2.623 -1.560) 5.473 14.070 ( -14.380 -8.302 10.242) 19.509 14.734 ( 3.178 1.835 -10.887) 11.489 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 14.265 8.236 7.945) 18.288 1.854 ( 7.517 4.340 19.396) 21.249 2.287 ( 9.649 5.571 -4.689) 12.089 2.909 ( 15.931 9.198 4.829) 19.019 3.302 ( 30.397 17.550 -2.020) 35.157 4.169 ( 1.819 1.050 -7.177) 7.478 7.684 ( 12.821 7.402 1.883) 14.923 9.000 ( -21.282 -12.287 6.275) 25.363 10.578 ( 18.791 10.849 -27.909) 35.351 10.748 ( -5.183 -2.992 -1.406) 6.147 13.732 ( -18.640 -10.762 13.387) 25.347 14.729 ( 0.122 0.070 -11.711) 11.712 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 9.243 5.337 4.117) 11.440 2.102 ( 9.803 5.660 14.280) 18.222 2.541 ( 13.079 7.551 -2.587) 15.322 3.207 ( 8.605 4.968 -0.841) 9.972 3.781 ( 12.480 7.205 -8.655) 16.810 4.424 ( 21.437 12.377 2.323) 24.862 8.010 ( 14.982 8.650 1.181) 17.340 8.580 ( -14.758 -8.521 2.847) 17.278 10.632 ( -4.349 -2.511 -1.024) 5.125 10.794 ( 6.458 3.728 -20.931) 22.219 13.281 ( -24.275 -14.015 11.206) 30.188 14.710 ( 1.462 0.844 -7.177) 7.373 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 6.177 3.566 1.413) 7.271 2.380 ( 11.011 6.357 10.126) 16.254 2.837 ( 12.626 7.289 -0.985) 14.612 3.286 ( 0.446 0.257 -9.603) 9.617 3.979 ( 7.820 4.515 -1.362) 9.132 4.978 ( 23.398 13.509 2.910) 27.174 8.358 ( 14.836 8.566 0.230) 17.133 8.378 ( -3.230 -1.865 0.890) 3.834 10.552 ( -2.415 -1.394 -0.275) 2.802 10.779 ( -1.865 -1.077 -16.114) 16.258 12.693 ( -29.063 -16.779 6.378) 34.159 14.762 ( 3.978 2.296 -1.018) 4.704 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 4.370 2.523 0.130) 5.047 2.654 ( 10.469 6.044 6.857) 13.898 3.093 ( 9.771 5.641 -0.404) 11.290 3.212 ( -3.158 -1.823 -13.689) 14.166 4.130 ( 4.895 2.826 3.193) 6.492 5.460 ( 17.738 10.241 2.285) 20.609 8.432 ( 7.487 4.322 -0.819) 8.684 8.672 ( 12.343 7.126 -0.987) 14.287 10.521 ( -0.405 -0.234 0.862) 0.980 10.651 ( -5.087 -2.937 -11.237) 12.679 12.025 ( -29.595 -17.087 2.754) 34.284 14.871 ( 4.861 2.807 3.084) 6.404 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 2.735 1.579 -0.466) 3.193 2.892 ( 8.301 4.793 4.120) 10.433 3.081 ( -3.724 -2.150 -14.364) 14.994 3.275 ( 6.104 3.524 -0.221) 7.052 4.220 ( 1.921 1.109 4.426) 4.950 5.795 ( 10.887 6.286 1.898) 12.714 8.688 ( 14.909 8.608 -3.880) 17.648 8.907 ( 8.504 4.910 -2.208) 10.065 10.483 ( -8.135 -4.697 -4.438) 10.389 10.528 ( 0.299 0.173 2.090) 2.118 11.417 ( -22.228 -12.833 0.352) 25.669 14.988 ( 4.043 2.334 5.028) 6.862 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 1.023 0.591 -0.711) 1.379 2.881 ( -6.059 -3.498 -8.630) 11.110 3.147 ( 9.478 5.472 -3.100) 11.375 3.369 ( 2.189 1.264 -0.158) 2.532 4.245 ( -0.944 -0.545 4.582) 4.710 5.965 ( 3.403 1.965 1.688) 4.276 9.046 ( 4.325 2.497 -2.979) 5.815 9.055 ( 17.931 10.352 -9.394) 22.736 10.220 ( -14.497 -8.370 5.150) 17.514 10.533 ( -0.812 -0.469 2.902) 3.050 11.092 ( -5.395 -3.115 -2.170) 6.597 15.078 ( 2.357 1.361 5.754) 6.365 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -0.772 -0.446 -0.710) 1.140 2.705 ( -6.880 -3.972 -6.990) 10.581 3.362 ( 10.122 5.844 -5.387) 12.870 3.374 ( -1.753 -1.012 -0.137) 2.028 4.204 ( -3.901 -2.252 5.159) 6.848 5.958 ( -4.487 -2.590 1.723) 5.460 9.084 ( -0.353 -0.204 -2.962) 2.990 9.347 ( 5.951 3.436 -12.722) 14.460 9.993 ( -1.462 -0.844 8.306) 8.476 10.504 ( -2.355 -1.360 2.921) 3.991 11.111 ( 6.202 3.581 -1.516) 7.320 15.131 ( 0.806 0.465 5.833) 5.907 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 0.000 16.395 14.659) 21.992 1.210 ( 0.000 26.564 15.531) 30.771 2.028 ( -0.000 3.117 -6.077) 6.829 2.040 ( 0.000 10.380 34.608) 36.131 2.148 ( 0.000 13.593 -3.328) 13.995 4.511 ( -0.000 -18.051 -9.969) 20.621 7.264 ( 0.000 5.658 2.729) 6.282 8.191 ( 0.000 69.276 -17.680) 71.496 10.737 ( -0.000 -19.154 -4.904) 19.772 10.940 ( -0.000 -3.497 -1.554) 3.827 14.322 ( -0.000 -12.132 4.593) 12.973 14.618 ( -0.000 6.424 -4.796) 8.016 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 4.455 19.707 12.159) 23.581 1.621 ( 8.592 14.397 18.873) 25.245 2.079 ( 3.463 5.319 -6.093) 8.798 2.391 ( 10.861 13.504 13.587) 22.021 2.394 ( 14.267 24.247 5.148) 28.600 4.281 ( -5.021 -8.513 -10.399) 14.347 7.384 ( 4.675 8.555 2.511) 10.067 9.006 ( 23.819 34.741 -10.310) 43.365 10.374 ( -14.095 -10.042 -14.917) 22.848 10.886 ( -1.594 -4.060 -1.869) 4.745 14.146 ( -5.782 -16.002 8.732) 19.124 14.690 ( 2.252 5.245 -9.100) 10.742 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 8.391 16.827 9.541) 21.085 1.876 ( 4.039 7.515 19.571) 21.350 2.216 ( 6.328 9.238 -5.460) 12.458 2.762 ( 14.221 12.612 3.723) 19.369 3.032 ( 24.455 25.532 2.885) 35.472 4.143 ( -1.075 -1.073 -9.591) 9.710 7.605 ( 8.484 11.536 2.221) 14.491 9.196 ( -12.541 -13.379 8.223) 20.097 10.326 ( 12.604 15.717 -28.007) 34.500 10.799 ( -3.580 -2.698 -2.789) 5.280 13.872 ( -10.222 -18.129 12.139) 24.094 14.714 ( -0.551 3.128 -11.577) 12.004 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 6.353 11.553 5.930) 14.457 2.082 ( 5.667 7.624 15.682) 18.335 2.453 ( 9.288 13.967 -3.305) 17.096 3.096 ( 10.771 7.032 0.847) 12.891 3.606 ( 16.272 14.069 -6.821) 22.567 4.250 ( 12.994 11.532 -1.169) 17.412 7.908 ( 11.025 14.070 1.875) 17.973 8.770 ( -17.488 -13.060 4.783) 22.345 10.590 ( 8.887 3.131 -14.116) 16.972 10.714 ( -2.064 1.470 -8.886) 9.240 13.496 ( -16.195 -20.025 11.250) 28.104 14.691 ( -0.561 2.299 -8.908) 9.217 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 3.878 8.842 2.418) 9.953 2.319 ( 8.030 7.788 11.999) 16.405 2.762 ( 9.474 15.622 -1.147) 18.306 3.237 ( 2.746 0.510 -7.345) 7.858 3.878 ( 9.233 6.878 -3.662) 12.082 4.742 ( 22.128 17.012 2.530) 28.026 8.255 ( 11.284 14.933 1.455) 18.774 8.459 ( -8.669 -4.636 2.682) 10.190 10.587 ( -2.740 -0.966 -0.876) 3.034 10.711 ( 2.127 -1.077 -16.629) 16.799 12.982 ( -23.182 -20.792 6.682) 31.849 14.709 ( 2.860 1.340 -2.884) 4.277 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 2.119 7.906 0.672) 8.212 2.573 ( 8.980 6.946 8.762) 14.340 3.054 ( 6.816 14.278 -0.562) 15.831 3.200 ( -1.696 -1.278 -12.177) 12.361 4.069 ( 6.734 4.059 1.615) 8.027 5.262 ( 19.236 13.087 2.115) 23.362 8.382 ( 1.986 1.798 1.847) 3.254 8.605 ( 9.156 15.782 0.440) 18.251 10.531 ( -1.925 -1.436 -1.930) 3.081 10.648 ( -1.594 -2.169 -10.759) 11.090 12.354 ( -27.581 -19.202 2.520) 33.702 14.792 ( 5.959 -0.367 1.992) 6.293 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 0.484 7.208 -0.132) 7.226 2.808 ( 8.559 5.436 5.833) 11.697 3.079 ( -3.471 -2.606 -13.543) 14.221 3.290 ( 2.808 13.930 -0.384) 14.216 4.192 ( 3.723 1.133 3.522) 5.249 5.657 ( 13.822 7.992 1.820) 16.070 8.539 ( 10.327 6.817 -0.205) 12.376 8.883 ( 5.460 14.449 -0.655) 15.461 10.471 ( 0.079 -5.234 -5.062) 7.282 10.575 ( -4.260 0.773 -1.532) 4.592 11.718 ( -26.231 -13.756 0.231) 29.620 14.904 ( 7.069 -2.224 4.470) 8.655 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -1.229 6.321 -0.505) 6.459 2.913 ( -4.213 -3.056 -7.149) 8.843 3.040 ( 7.662 4.941 -3.049) 9.613 3.434 ( -1.316 12.350 -0.161) 12.421 4.244 ( 1.218 -1.350 3.992) 4.386 5.900 ( 7.462 2.975 1.660) 8.203 8.838 ( 15.229 8.836 -4.636) 18.207 9.067 ( 1.106 12.006 -1.615) 12.165 10.381 ( -8.061 -3.046 -0.377) 8.625 10.492 ( -0.450 -6.113 2.231) 6.523 11.259 ( -15.822 -2.110 -1.569) 16.039 15.007 ( 6.428 -3.758 5.336) 9.160 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -2.952 5.076 -0.590) 5.902 2.760 ( -6.240 -3.029 -7.622) 10.305 3.232 ( 9.307 4.863 -3.793) 11.165 3.487 ( -5.594 10.432 -0.140) 11.838 4.233 ( -1.189 -3.387 4.427) 5.699 5.978 ( 0.277 -1.703 1.639) 2.379 9.114 ( 3.605 3.798 -6.491) 8.340 9.194 ( 7.609 10.861 -6.258) 14.664 10.136 ( -12.910 -3.561 8.233) 15.720 10.486 ( 3.237 -3.895 1.263) 5.220 11.125 ( -3.092 6.140 -2.252) 7.234 15.078 ( 4.933 -4.702 5.337) 8.656 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.000 18.274 10.627) 21.140 1.770 ( 0.000 17.528 17.260) 24.600 2.082 ( -0.000 6.577 -7.140) 9.708 2.479 ( 0.000 18.718 2.163) 18.843 2.578 ( 0.000 28.915 14.689) 32.432 4.204 ( -0.000 -7.222 -11.152) 13.286 7.447 ( 0.000 11.256 2.159) 11.461 9.130 ( 0.000 25.873 -1.129) 25.898 10.361 ( -0.000 -4.761 -23.122) 23.607 10.836 ( -0.000 -5.921 -1.230) 6.047 14.036 ( -0.000 -20.536 10.565) 23.094 14.706 ( -0.000 6.630 -9.696) 11.746 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 4.059 16.556 9.161) 19.352 1.977 ( 1.039 10.732 16.599) 19.794 2.192 ( 5.748 10.519 -6.256) 13.521 2.733 ( 6.841 16.753 2.987) 18.341 3.021 ( 11.190 31.398 5.091) 33.719 4.116 ( -0.454 -0.640 -9.994) 10.025 7.622 ( 5.040 14.012 1.869) 15.008 9.235 ( -4.041 -10.327 9.209) 14.415 10.296 ( 0.688 14.799 -28.533) 32.149 10.780 ( 0.273 -5.149 -2.531) 5.744 13.821 ( -3.976 -23.005 12.691) 26.573 14.735 ( -0.714 5.738 -11.304) 12.697 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 4.747 11.534 6.309) 13.977 2.147 ( 2.226 9.731 13.810) 17.041 2.443 ( 9.185 16.402 -3.484) 19.119 3.012 ( 8.119 9.743 0.905) 12.714 3.507 ( 12.096 20.311 -4.273) 24.023 4.190 ( 7.311 12.554 -3.057) 14.846 7.902 ( 8.755 16.950 1.861) 19.168 8.920 ( -14.344 -15.948 4.649) 21.947 10.450 ( 7.348 8.953 -16.670) 20.299 10.722 ( -1.117 -2.813 -5.583) 6.351 13.517 ( -8.556 -24.862 12.250) 29.007 14.722 ( -2.426 4.422 -10.375) 11.536 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 3.958 10.141 3.208) 11.349 2.333 ( 4.245 8.972 11.497) 15.189 2.781 ( 9.360 19.425 -1.229) 21.597 3.165 ( 3.897 1.259 -5.726) 7.040 3.797 ( 8.123 10.319 -4.322) 13.825 4.594 ( 17.021 20.702 1.793) 26.861 8.253 ( 9.915 18.787 2.030) 21.340 8.580 ( -10.873 -7.397 2.170) 13.329 10.568 ( 4.887 1.596 -8.010) 9.518 10.643 ( -2.445 -3.176 -8.215) 9.140 13.101 ( -14.667 -25.257 8.450) 30.405 14.695 ( -1.137 2.221 -5.989) 6.488 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 1.893 10.646 1.111) 10.870 2.540 ( 6.454 7.531 9.781) 13.929 3.100 ( 4.670 13.023 -2.502) 14.059 3.176 ( 2.210 4.614 -8.546) 9.961 4.004 ( 6.788 6.507 0.368) 9.410 5.091 ( 17.528 16.310 1.618) 23.997 8.406 ( -2.370 0.541 2.554) 3.526 8.644 ( 8.355 20.130 1.578) 21.853 10.523 ( -2.636 -6.322 -9.295) 11.546 10.623 ( 1.502 2.798 -3.308) 4.586 12.573 ( -20.614 -22.869 3.584) 30.996 14.702 ( 2.710 -1.309 -0.838) 3.124 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -0.208 10.753 0.264) 10.759 2.750 ( 7.005 5.757 7.505) 11.771 3.064 ( -2.215 -2.515 -12.062) 12.519 3.414 ( 3.250 19.541 -0.344) 19.812 4.149 ( 4.117 2.644 2.365) 5.435 5.502 ( 14.519 9.637 1.373) 17.480 8.473 ( 5.273 6.160 2.255) 8.417 8.970 ( 5.264 19.687 1.249) 20.417 10.392 ( -0.859 -7.821 -7.575) 10.922 10.655 ( -2.025 4.858 -1.002) 5.357 11.997 ( -22.924 -16.925 0.030) 28.495 14.754 ( 6.421 -5.003 2.607) 8.547 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -2.296 10.226 -0.172) 10.482 2.913 ( 1.553 -0.424 1.595) 2.266 2.977 ( 1.664 2.768 -8.908) 9.476 3.623 ( -1.269 18.999 0.112) 19.041 4.214 ( 1.655 -0.788 2.885) 3.418 5.783 ( 10.171 3.354 1.378) 10.798 8.696 ( 10.552 8.967 -0.084) 13.848 9.204 ( 0.444 16.538 0.687) 16.558 10.317 ( 3.363 -6.746 -4.763) 8.917 10.605 ( -9.469 2.283 1.994) 9.942 11.514 ( -17.791 -5.931 -2.182) 18.880 14.830 ( 8.394 -7.745 4.105) 12.137 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -4.316 8.248 -0.452) 9.320 2.816 ( -5.215 -0.808 -7.003) 8.769 3.122 ( 7.603 4.081 -1.855) 8.826 3.743 ( -6.413 18.132 0.263) 19.234 4.213 ( 0.060 -3.815 3.215) 4.990 5.923 ( 4.717 -1.851 1.448) 5.270 8.965 ( 10.683 6.419 -4.891) 13.388 9.324 ( -2.609 12.808 0.846) 13.098 10.326 ( 1.437 -10.045 -0.384) 10.154 10.411 ( -10.425 6.427 3.428) 12.718 11.283 ( -8.558 4.274 -2.976) 10.018 14.906 ( 8.504 -9.161 4.260) 13.206 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 0.000 12.295 7.237) 14.267 2.132 ( 0.000 10.459 15.057) 18.333 2.225 ( 0.000 13.258 -6.766) 14.885 2.857 ( 0.000 16.397 2.516) 16.589 3.261 ( 0.000 31.043 1.424) 31.076 4.108 ( -0.000 5.627 -7.593) 9.451 7.728 ( 0.000 15.763 1.021) 15.796 9.180 ( -0.000 -15.459 7.761) 17.298 10.358 ( -0.000 14.584 -27.133) 30.804 10.703 ( -0.000 -6.644 -0.528) 6.665 13.651 ( -0.000 -25.792 13.729) 29.218 14.773 ( -0.000 6.902 -11.366) 13.297 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 3.655 8.289 4.102) 9.944 2.267 ( 0.134 9.906 11.787) 15.397 2.439 ( 8.274 16.703 -3.128) 18.900 3.025 ( 2.565 10.049 -0.487) 10.383 3.565 ( 4.319 20.666 -4.194) 21.525 4.239 ( 3.954 19.200 -1.383) 19.651 7.948 ( 6.062 17.625 0.656) 18.650 8.962 ( -7.682 -16.009 1.616) 17.830 10.419 ( 1.454 8.571 -15.558) 17.822 10.659 ( 1.657 -5.286 -2.687) 6.157 13.395 ( -3.692 -27.907 13.122) 31.059 14.788 ( -2.305 6.434 -10.752) 12.740 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 5.714 7.809 2.555) 10.008 2.410 ( 1.627 9.155 9.783) 13.497 2.786 ( 11.701 18.537 -1.466) 21.970 3.112 ( 1.725 1.793 -5.503) 6.039 3.791 ( 4.759 13.135 -3.451) 14.390 4.595 ( 9.777 25.224 1.570) 27.098 8.277 ( 9.990 19.224 0.931) 21.685 8.678 ( -9.125 -8.638 -1.472) 12.651 10.481 ( 3.388 1.944 -8.295) 9.168 10.615 ( -0.077 -4.374 -3.336) 5.501 13.050 ( -7.858 -28.855 10.277) 31.622 14.755 ( -4.191 4.429 -8.295) 10.295 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 5.652 9.195 1.486) 10.895 2.562 ( 3.119 7.773 8.841) 12.178 3.097 ( -0.065 -1.187 -8.246) 8.331 3.172 ( 10.989 18.436 -1.421) 21.509 3.980 ( 4.925 9.129 -0.165) 10.374 5.020 ( 11.790 20.367 1.224) 23.565 8.473 ( -3.855 0.328 -0.048) 3.869 8.694 ( 9.945 19.879 0.745) 22.241 10.455 ( -1.258 -7.024 -8.544) 11.132 10.618 ( 2.757 3.175 -0.287) 4.215 12.622 ( -12.360 -27.123 5.989) 30.402 14.694 ( -3.292 0.714 -4.382) 5.527 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 2.515 11.089 0.409) 11.378 2.724 ( 5.099 5.327 8.224) 11.046 3.033 ( -1.189 -2.521 -10.151) 10.527 3.521 ( 7.471 19.324 -0.462) 20.723 4.129 ( 3.546 5.440 1.428) 6.649 5.385 ( 11.169 12.166 0.802) 16.535 8.483 ( 1.808 6.100 1.444) 6.524 9.064 ( 8.028 20.057 1.420) 21.651 10.310 ( -2.369 -9.102 -6.678) 11.535 10.719 ( 2.034 7.355 -0.346) 7.639 12.144 ( -15.751 -21.588 1.714) 26.778 14.643 ( 0.458 -4.110 -0.541) 4.171 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -1.071 11.301 -0.018) 11.351 2.876 ( 4.357 1.600 6.753) 8.194 2.963 ( -0.647 0.803 -10.693) 10.743 3.797 ( 3.400 17.123 0.475) 17.464 4.216 ( 0.527 4.228 1.425) 4.493 5.644 ( 9.598 3.775 0.804) 10.345 8.649 ( 6.693 10.044 1.838) 12.209 9.346 ( 2.908 15.789 1.672) 16.141 10.183 ( 0.769 -8.950 -5.104) 10.331 10.796 ( -4.159 9.489 1.133) 10.422 11.705 ( -14.659 -11.544 -1.893) 18.754 14.630 ( 5.125 -8.569 1.995) 10.182 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -4.303 5.005 -2.558) 7.079 2.887 ( -2.422 4.593 -1.763) 5.484 3.045 ( 5.311 4.129 -1.590) 6.912 3.976 ( 0.764 10.961 2.217) 11.209 4.241 ( -4.287 6.971 0.287) 8.189 5.795 ( 7.293 -3.067 1.017) 7.976 8.883 ( 7.429 9.533 -0.240) 12.088 9.479 ( -1.740 9.247 2.312) 9.689 10.140 ( 5.386 -8.778 -3.678) 10.936 10.748 ( -13.265 11.680 3.641) 18.046 11.444 ( -8.289 0.020 -4.248) 9.314 14.658 ( 8.586 -11.316 2.851) 14.488 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 0.000 6.340 1.655) 6.553 2.394 ( 0.000 8.388 10.498) 13.437 2.518 ( 0.000 17.348 -2.488) 17.525 3.082 ( -0.000 5.506 -3.830) 6.707 3.706 ( 0.000 16.743 -3.936) 17.200 4.437 ( 0.000 27.208 1.166) 27.233 8.066 ( 0.000 17.727 -0.526) 17.735 8.874 ( -0.000 -13.669 -3.815) 14.191 10.437 ( -0.000 4.404 -11.176) 12.012 10.582 ( -0.000 -5.162 0.499) 5.186 13.177 ( -0.000 -30.146 12.536) 32.648 14.848 ( -0.000 7.281 -10.221) 12.549 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 4.559 5.940 0.772) 7.528 2.504 ( 0.540 7.873 8.570) 11.650 2.765 ( 9.147 16.546 -1.270) 18.949 3.095 ( 0.056 0.501 -6.744) 6.762 3.865 ( 1.611 13.848 -1.803) 14.058 4.756 ( 3.624 28.351 1.566) 28.624 8.305 ( 7.393 17.863 -0.828) 19.350 8.700 ( -4.464 -7.932 -7.096) 11.541 10.440 ( 0.646 0.034 -4.363) 4.411 10.554 ( 1.262 -3.649 0.064) 3.862 12.877 ( -3.375 -31.438 10.340) 33.266 14.857 ( -3.735 6.420 -8.838) 11.545 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 7.762 6.500 0.822) 10.158 2.623 ( 1.725 6.993 7.849) 10.653 3.053 ( 0.780 -1.188 -7.586) 7.718 3.134 ( 12.338 15.631 -1.161) 19.948 4.015 ( 2.170 10.160 -0.155) 10.391 5.100 ( 5.237 23.665 0.953) 24.257 8.528 ( -2.279 1.232 -4.744) 5.405 8.691 ( 11.099 16.481 -1.884) 19.959 10.398 ( -1.790 -5.689 -2.734) 6.560 10.583 ( 3.885 1.573 0.909) 4.289 12.512 ( -6.208 -30.502 7.282) 31.968 14.793 ( -6.777 3.885 -6.581) 10.215 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 8.446 7.529 0.735) 11.338 2.744 ( 2.226 5.500 7.866) 9.853 2.999 ( -0.899 -2.095 -8.332) 8.638 3.524 ( 12.760 16.486 -0.693) 20.859 4.136 ( 2.604 6.078 0.664) 6.645 5.388 ( 4.791 15.940 0.396) 16.650 8.523 ( 0.754 5.903 -2.590) 6.490 9.082 ( 12.190 17.714 -0.400) 21.507 10.267 ( -4.198 -7.761 -2.154) 9.083 10.712 ( 6.293 5.627 0.414) 8.452 12.120 ( -8.263 -25.977 4.131) 27.570 14.674 ( -7.021 -0.083 -3.721) 7.946 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 5.689 7.460 0.738) 9.411 2.852 ( 2.073 4.137 7.338) 8.675 2.943 ( -0.373 -0.130 -8.661) 8.670 3.848 ( 6.906 12.556 -0.243) 14.332 4.250 ( 4.028 6.957 0.689) 8.069 5.574 ( 3.725 6.653 0.199) 7.628 8.656 ( 5.215 10.457 0.032) 11.685 9.409 ( 7.157 13.383 0.244) 15.178 10.108 ( -3.813 -8.202 -1.885) 9.239 10.893 ( 5.153 9.445 0.110) 10.760 11.763 ( -8.630 -16.940 1.049) 19.041 14.546 ( -3.742 -4.865 -0.870) 6.199 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( -2.701 0.064 -3.429) 4.366 2.943 ( 2.046 3.251 4.534) 5.942 3.029 ( 3.741 9.482 -3.195) 10.683 3.981 ( 1.920 0.495 1.257) 2.348 4.429 ( 1.539 16.980 -0.282) 17.052 5.656 ( 3.936 -2.870 0.380) 4.886 8.876 ( 6.378 11.490 0.725) 13.161 9.575 ( 0.577 6.363 1.455) 6.553 9.984 ( 0.391 -8.602 -2.339) 8.923 11.036 ( -2.616 12.584 2.339) 13.064 11.527 ( -5.445 -4.822 -2.892) 7.827 14.458 ( 1.898 -9.065 1.059) 9.322 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 0.000 5.096 -0.038) 5.096 2.596 ( 0.000 6.569 7.496) 9.967 2.834 ( 0.000 15.041 -0.892) 15.068 3.068 ( -0.000 -1.431 -7.410) 7.547 3.983 ( 0.000 12.656 -0.451) 12.664 5.013 ( 0.000 27.617 1.063) 27.638 8.401 ( 0.000 16.296 -1.705) 16.385 8.641 ( -0.000 -4.853 -10.914) 11.944 10.423 ( -0.000 -1.716 0.821) 1.903 10.517 ( 0.000 -1.883 1.302) 2.290 12.613 ( -0.000 -33.041 8.616) 34.146 14.934 ( -0.000 6.997 -8.239) 10.809 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 5.508 4.908 0.040) 7.378 2.685 ( 0.941 5.572 7.386) 9.300 3.013 ( 0.828 0.733 -5.573) 5.682 3.073 ( 8.634 10.776 -2.067) 13.962 4.097 ( 0.147 9.646 -0.069) 9.648 5.287 ( 1.460 23.671 0.383) 23.719 8.552 ( -1.103 2.496 -8.473) 8.901 8.648 ( 9.031 13.169 -3.485) 16.344 10.389 ( -2.283 -3.513 3.010) 5.159 10.537 ( 2.900 0.724 1.651) 3.414 12.288 ( -2.131 -32.599 6.258) 33.263 14.932 ( -5.246 5.945 -7.063) 10.618 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 9.358 5.006 0.275) 10.617 2.782 ( 1.829 3.876 8.830) 9.815 2.974 ( -0.658 -0.952 -7.184) 7.277 3.417 ( 15.391 12.782 -0.624) 20.016 4.173 ( -0.058 5.598 -0.186) 5.602 5.516 ( 0.825 17.702 -0.105) 17.721 8.555 ( 0.701 6.192 -6.287) 8.852 9.000 ( 14.701 14.163 -1.895) 20.501 10.292 ( -5.359 -4.238 2.833) 7.397 10.636 ( 6.389 2.085 1.162) 6.821 11.954 ( -2.743 -28.519 4.388) 28.985 14.831 ( -9.642 3.641 -5.414) 11.642 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 9.844 4.259 0.848) 10.759 2.870 ( 2.495 0.623 9.547) 9.887 2.943 ( -0.908 3.148 -7.818) 8.476 3.803 ( 13.331 11.964 -0.917) 17.936 4.222 ( 2.905 2.494 -0.058) 3.829 5.649 ( -1.682 10.365 -0.364) 10.507 8.669 ( 4.508 10.293 -2.658) 11.547 9.361 ( 12.016 10.682 -1.721) 16.169 10.148 ( -7.423 -3.904 2.519) 8.757 10.804 ( 10.731 2.262 -0.702) 10.990 11.680 ( -2.243 -19.393 3.526) 19.838 14.655 ( -11.204 0.498 -3.301) 11.691 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 0.000 4.112 -0.051) 4.113 2.748 ( 0.000 4.015 8.117) 9.056 2.990 ( -0.000 -1.403 -6.247) 6.402 3.092 ( 0.000 11.291 -0.325) 11.296 4.184 ( 0.000 7.665 -0.456) 7.679 5.498 ( 0.000 20.736 -0.300) 20.738 8.563 ( -0.000 3.728 -10.111) 10.776 8.678 ( 0.000 12.493 -1.401) 12.571 10.405 ( 0.000 -2.028 6.213) 6.535 10.520 ( 0.000 1.199 0.945) 1.526 11.993 ( -0.000 -32.773 4.127) 33.032 15.021 ( -0.000 6.181 -6.705) 9.119 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 6.067 3.642 0.157) 7.078 2.813 ( 0.979 1.205 10.915) 11.025 2.962 ( -0.423 1.300 -6.790) 6.926 3.290 ( 10.744 9.440 -0.282) 14.305 4.236 ( -1.052 4.734 -1.147) 4.983 5.681 ( -0.161 16.139 -0.739) 16.157 8.595 ( 0.335 8.122 -6.256) 10.257 8.887 ( 10.792 10.730 -1.117) 15.259 10.367 ( -4.223 -1.285 5.345) 6.932 10.565 ( 3.105 0.363 0.592) 3.181 11.693 ( 0.554 -29.042 2.631) 29.166 15.003 ( -6.425 5.087 -5.928) 10.114 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 10.032 3.031 0.229) 10.483 2.853 ( 1.102 -3.484 10.442) 11.063 2.978 ( 0.077 6.239 -4.881) 7.922 3.625 ( 17.340 8.435 -0.392) 19.287 4.235 ( -1.874 1.362 -1.633) 2.834 5.793 ( -2.302 10.607 -0.948) 10.895 8.705 ( 2.570 11.471 -2.051) 11.933 9.213 ( 14.803 8.401 -1.390) 17.077 10.277 ( -7.488 0.573 4.069) 8.541 10.620 ( 6.995 -5.473 -1.327) 8.980 11.490 ( 3.143 -18.699 2.965) 19.191 14.871 ( -11.702 3.403 -4.657) 13.046 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 0.000 2.801 0.359) 2.824 2.834 ( 0.000 -2.898 12.476) 12.809 2.979 ( -0.000 5.416 -5.679) 7.847 3.273 ( 0.000 7.021 -0.032) 7.021 4.280 ( -0.000 2.990 -2.123) 3.667 5.824 ( 0.000 12.557 -1.164) 12.611 8.674 ( 0.000 11.408 -2.598) 11.701 8.881 ( 0.000 8.431 0.482) 8.445 10.402 ( 0.000 -2.814 4.481) 5.292 10.555 ( 0.000 1.638 -0.720) 1.789 11.408 ( -0.000 -26.185 1.077) 26.207 15.092 ( -0.000 4.711 -5.917) 7.563 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 6.195 2.001 0.448) 6.525 2.829 ( 0.334 -5.311 10.209) 11.513 3.037 ( 0.085 8.182 -1.551) 8.328 3.433 ( 11.393 5.008 0.025) 12.445 4.276 ( -1.898 0.722 -2.911) 3.549 5.914 ( -1.189 7.976 -1.356) 8.177 8.806 ( 0.474 14.300 2.167) 14.471 9.056 ( 10.639 6.499 0.829) 12.494 10.372 ( 0.159 -3.218 1.547) 3.574 10.514 ( -4.249 -4.482 -2.335) 6.603 11.244 ( 5.625 -15.321 1.718) 16.411 15.056 ( -6.884 3.631 -5.416) 9.482 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 0.000 1.123 0.688) 1.317 2.798 ( 0.000 -6.377 9.263) 11.246 3.126 ( 0.000 9.668 1.598) 9.799 3.368 ( 0.000 2.522 0.114) 2.525 4.283 ( -0.000 -0.802 -3.807) 3.890 5.980 ( 0.000 3.931 -1.534) 4.219 8.977 ( 0.000 17.049 7.630) 18.678 9.020 ( 0.000 4.625 2.517) 5.265 10.264 ( -0.000 -12.374 -4.604) 13.203 10.558 ( -0.000 -0.590 -2.512) 2.580 11.071 ( -0.000 -6.871 2.258) 7.233 15.131 ( -0.000 2.710 -5.710) 6.320 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 0.000 -0.000 17.361) 17.361 0.956 ( 0.000 -0.000 17.361) 17.361 1.980 ( -0.000 0.000 -6.040) 6.040 1.980 ( -0.000 0.000 -6.040) 6.040 2.085 ( 0.000 -0.000 40.460) 40.460 4.763 ( -0.000 0.000 -19.448) 19.448 7.218 ( 0.000 -0.000 2.772) 2.772 7.218 ( 0.000 -0.000 2.772) 2.772 10.973 ( -0.000 0.000 -1.568) 1.568 10.973 ( 0.000 0.000 -1.568) 1.568 14.433 ( 0.000 -0.000 1.621) 1.621 14.553 ( -0.000 0.000 -1.028) 1.028 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 10.152 5.861 15.480) 19.418 1.373 ( 22.461 12.968 15.051) 29.986 1.995 ( 2.871 1.658 -6.049) 6.898 2.091 ( 11.489 6.633 -5.097) 14.212 2.285 ( 8.119 4.688 32.638) 33.958 4.440 ( -14.440 -8.337 -13.128) 21.221 7.281 ( 4.702 2.715 2.555) 6.001 8.111 ( 58.950 34.035 -13.027) 69.305 10.668 ( -23.432 -13.528 -2.558) 27.177 10.940 ( -2.580 -1.489 -1.564) 3.364 14.363 ( -7.080 -4.088 4.151) 9.169 14.594 ( 3.784 2.185 -4.652) 6.382 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 15.028 8.676 12.160) 21.189 1.812 ( 9.731 5.618 19.739) 22.713 2.076 ( 5.942 3.431 -6.121) 9.195 2.493 ( 22.903 13.223 -7.188) 27.405 2.681 ( 20.583 11.884 19.558) 30.780 4.166 ( -6.285 -3.628 -11.789) 13.844 7.446 ( 9.020 5.208 2.199) 10.645 9.206 ( 27.659 15.969 -2.630) 32.046 10.117 ( -12.257 -7.077 -16.532) 21.763 10.852 ( -4.521 -2.610 -1.544) 5.444 14.157 ( -12.426 -7.174 8.884) 16.876 14.640 ( 1.708 0.986 -9.791) 9.987 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 12.590 7.269 8.793) 16.989 2.027 ( 5.960 3.441 18.284) 19.536 2.242 ( 10.442 6.029 -5.234) 13.145 2.936 ( 15.919 9.191 0.901) 18.404 3.291 ( 25.663 14.816 -0.211) 29.633 4.103 ( 5.168 2.984 -7.090) 9.267 7.701 ( 12.631 7.293 1.825) 14.699 9.068 ( -23.196 -13.392 8.581) 28.125 10.341 ( 21.542 12.437 -23.776) 34.409 10.734 ( -5.100 -2.944 -1.474) 6.070 13.837 ( -18.473 -10.665 9.636) 23.406 14.632 ( 1.013 0.585 -9.150) 9.224 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 7.711 4.452 4.108) 9.806 2.234 ( 8.046 4.646 14.494) 17.216 2.519 ( 14.013 8.091 -2.227) 16.334 3.184 ( 5.501 3.176 -4.290) 7.665 3.715 ( 13.624 7.866 -5.680) 16.726 4.441 ( 23.073 13.321 1.382) 26.678 8.022 ( 14.692 8.483 1.421) 17.025 8.619 ( -15.966 -9.218 5.558) 19.255 10.619 ( 7.994 4.616 -17.425) 19.719 10.622 ( -4.138 -2.389 -1.249) 4.938 13.358 ( -25.399 -14.664 5.482) 29.836 14.663 ( 3.534 2.040 -3.028) 5.082 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 5.461 3.153 1.327) 6.444 2.476 ( 9.464 5.464 10.762) 15.337 2.829 ( 12.934 7.467 -0.600) 14.947 3.192 ( -1.494 -0.862 -10.804) 10.941 3.973 ( 9.892 5.711 -0.166) 11.423 5.000 ( 23.329 13.469 2.003) 27.012 8.363 ( 14.380 8.302 0.810) 16.625 8.403 ( -4.211 -2.431 4.519) 6.638 10.547 ( -2.012 -1.162 -0.704) 2.428 10.643 ( -0.584 -0.337 -13.693) 13.710 12.728 ( -29.912 -17.270 1.460) 34.571 14.769 ( 5.418 3.128 2.433) 6.713 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 4.038 2.331 0.124) 4.664 2.718 ( 9.127 5.270 7.094) 12.704 3.090 ( -3.802 -2.195 -12.767) 13.500 3.091 ( 9.838 5.680 -0.177) 11.361 4.156 ( 5.768 3.330 2.500) 7.114 5.479 ( 17.674 10.204 1.771) 20.485 8.441 ( 6.059 3.498 2.971) 7.601 8.666 ( 11.742 6.779 -0.178) 13.560 10.526 ( 0.160 0.092 0.268) 0.325 10.554 ( -3.304 -1.908 -9.947) 10.654 12.036 ( -29.855 -17.237 -0.197) 34.474 14.908 ( 5.471 3.159 5.102) 8.121 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 2.577 1.488 -0.442) 3.008 2.932 ( 6.827 3.942 4.671) 9.163 2.953 ( -3.369 -1.945 -13.666) 14.209 3.273 ( 6.111 3.528 -0.102) 7.057 4.255 ( 2.232 1.289 3.386) 4.256 5.811 ( 10.836 6.256 1.619) 12.617 8.666 ( 12.609 7.280 -0.862) 14.585 8.890 ( 7.935 4.581 -1.424) 9.272 10.442 ( -4.983 -2.877 -4.444) 7.270 10.545 ( 0.841 0.486 1.488) 1.777 11.416 ( -22.775 -13.149 -0.556) 26.304 15.038 ( 4.206 2.429 5.864) 7.614 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 0.000 14.703 12.902) 19.561 1.348 ( 0.000 26.131 14.866) 30.064 1.969 ( -0.000 2.906 -6.781) 7.378 2.081 ( 0.000 13.775 -6.460) 15.214 2.375 ( 0.000 6.211 33.871) 34.435 4.399 ( -0.000 -15.872 -14.221) 21.310 7.288 ( 0.000 5.549 2.415) 6.052 8.067 ( 0.000 64.646 -10.188) 65.444 10.698 ( -0.000 -23.036 -3.747) 23.339 10.927 ( -0.000 -3.445 -1.310) 3.686 14.363 ( -0.000 -9.503 4.351) 10.452 14.578 ( -0.000 3.691 -4.188) 5.583 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 4.371 18.119 11.721) 22.018 1.781 ( 10.638 15.658 16.362) 25.021 2.020 ( 3.815 5.048 -6.902) 9.363 2.325 ( 11.813 20.686 -8.140) 25.174 2.624 ( 8.765 12.289 24.888) 29.107 4.173 ( -4.740 -8.025 -12.837) 15.864 7.405 ( 4.657 8.446 2.095) 9.870 8.926 ( 27.552 43.395 -7.265) 51.914 10.262 ( -17.641 -19.962 -9.943) 28.435 10.871 ( -1.773 -4.243 -1.451) 4.822 14.221 ( -4.863 -13.628 7.899) 16.486 14.612 ( 0.938 3.395 -8.111) 8.843 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 7.577 15.465 9.947) 19.888 2.040 ( 4.302 5.950 15.626) 17.265 2.165 ( 6.803 9.903 -5.249) 13.111 2.767 ( 16.095 15.522 -2.310) 22.479 3.082 ( 18.774 19.502 7.448) 28.076 4.053 ( 0.589 0.676 -9.755) 9.797 7.623 ( 8.428 11.515 1.839) 14.388 9.284 ( -13.161 -14.305 11.044) 22.356 10.084 ( 14.380 17.786 -24.837) 33.764 10.778 ( -3.674 -3.607 -1.797) 5.454 13.971 ( -10.146 -17.048 9.473) 21.984 14.616 ( -0.386 2.861 -9.533) 9.960 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 4.917 10.032 5.404) 12.411 2.219 ( 5.217 6.010 13.897) 16.014 2.425 ( 10.129 15.078 -2.680) 18.361 3.090 ( 8.798 5.534 -2.185) 10.620 3.553 ( 14.446 12.702 -4.641) 19.788 4.240 ( 16.012 14.085 -1.036) 21.350 7.924 ( 10.875 14.149 1.695) 17.926 8.821 ( -18.274 -14.692 6.327) 24.287 10.442 ( 12.576 8.541 -15.668) 21.831 10.673 ( -4.257 -2.254 -2.388) 5.377 13.576 ( -17.647 -19.831 6.030) 27.222 14.627 ( 1.593 2.734 -4.909) 5.841 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 3.083 8.172 1.931) 8.945 2.427 ( 7.158 6.619 11.389) 14.992 2.754 ( 9.799 16.061 -0.572) 18.823 3.162 ( 0.506 -0.918 -8.681) 8.744 3.855 ( 11.096 8.270 -1.498) 13.920 4.760 ( 22.329 17.053 1.436) 28.133 8.269 ( 11.022 15.231 1.573) 18.866 8.496 ( -8.982 -5.838 5.493) 12.038 10.575 ( 3.422 1.004 -10.087) 10.699 10.579 ( -3.193 -1.909 -3.966) 5.437 13.018 ( -24.645 -20.721 1.365) 32.227 14.701 ( 5.034 1.465 1.034) 5.344 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 1.735 7.668 0.482) 7.877 2.652 ( 7.799 6.163 8.290) 12.943 3.046 ( 5.259 10.797 -2.077) 12.188 3.097 ( -1.042 1.891 -9.033) 9.288 4.083 ( 7.722 4.669 1.350) 9.124 5.277 ( 19.303 12.987 1.360) 23.305 8.414 ( 1.310 0.982 5.195) 5.446 8.612 ( 8.527 15.837 1.136) 18.023 10.494 ( -1.208 -4.545 -6.365) 7.914 10.578 ( -0.970 2.153 -4.449) 5.037 12.359 ( -28.123 -19.165 -1.126) 34.051 14.822 ( 7.175 -0.592 4.472) 8.476 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 0.262 7.150 -0.164) 7.156 2.857 ( 7.271 5.210 3.579) 9.634 2.966 ( -3.907 -2.920 -9.842) 10.984 3.289 ( 2.889 13.996 -0.005) 14.291 4.219 ( 4.220 1.321 2.416) 5.039 5.672 ( 13.890 7.927 1.349) 16.050 8.552 ( 8.548 5.792 3.068) 10.772 8.881 ( 4.630 14.600 0.216) 15.319 10.419 ( 0.630 -5.138 -5.983) 7.911 10.569 ( -2.395 2.318 -0.350) 3.352 11.712 ( -26.160 -14.057 -1.466) 29.734 14.950 ( 7.565 -2.582 5.576) 9.746 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.000 17.493 9.482) 19.897 1.918 ( 0.000 18.133 15.304) 23.728 2.013 ( -0.000 6.213 -7.875) 10.031 2.437 ( 0.000 25.302 -6.929) 26.234 2.764 ( 0.000 17.040 21.251) 27.239 4.095 ( -0.000 -6.348 -12.463) 13.986 7.465 ( 0.000 10.984 1.618) 11.102 9.127 ( 0.000 37.832 0.460) 37.835 10.176 ( -0.000 -17.456 -17.654) 24.827 10.827 ( -0.000 -5.784 -0.794) 5.838 14.128 ( -0.000 -18.065 9.623) 20.468 14.623 ( -0.000 4.773 -8.668) 9.895 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 3.928 15.128 8.924) 17.998 2.089 ( 2.637 9.482 2.168) 10.077 2.155 ( 5.136 11.281 3.468) 12.871 2.734 ( 7.417 20.515 -2.044) 21.910 3.088 ( 8.296 23.181 8.736) 26.124 4.026 ( 0.388 1.768 -9.461) 9.633 7.637 ( 5.222 13.733 1.244) 14.745 9.329 ( -4.633 -11.929 11.395) 17.135 10.049 ( 2.932 17.086 -25.342) 30.704 10.764 ( -0.529 -5.571 -1.177) 5.718 13.928 ( -4.206 -21.572 10.762) 24.471 14.638 ( -0.805 5.034 -9.763) 11.014 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 4.096 9.611 4.671) 11.444 2.256 ( 2.983 8.864 9.589) 13.395 2.417 ( 9.610 17.164 -2.018) 19.774 3.011 ( 6.965 8.492 -0.858) 11.016 3.475 ( 10.023 17.409 -2.673) 20.265 4.166 ( 9.443 16.103 -2.119) 18.787 7.917 ( 9.015 16.798 1.219) 19.103 8.960 ( -14.729 -18.885 3.968) 24.276 10.310 ( 9.381 13.198 -12.955) 20.737 10.690 ( -1.881 -4.073 -2.070) 4.941 13.611 ( -9.899 -24.319 8.385) 27.563 14.640 ( -1.066 4.487 -7.451) 8.763 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 3.318 9.494 1.850) 10.226 2.429 ( 4.588 7.820 9.091) 12.839 2.773 ( 9.797 19.775 -0.592) 22.077 3.110 ( 1.809 -0.464 -5.866) 6.156 3.769 ( 9.252 11.635 -1.936) 14.990 4.606 ( 17.294 21.035 0.861) 27.245 8.269 ( 10.159 18.885 1.466) 21.494 8.604 ( -10.083 -9.220 3.078) 14.005 10.479 ( 4.840 2.441 -9.012) 10.517 10.609 ( -2.557 -2.345 -1.587) 3.815 13.156 ( -16.706 -24.812 3.504) 30.116 14.657 ( 1.233 1.979 -2.258) 3.246 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 1.584 10.375 0.503) 10.507 2.622 ( 6.160 6.902 7.597) 11.971 3.054 ( -0.576 0.074 -6.620) 6.646 3.131 ( 6.393 17.070 -1.629) 18.300 4.009 ( 7.611 7.181 0.508) 10.476 5.102 ( 17.597 16.205 0.765) 23.934 8.438 ( -1.702 -0.500 4.290) 4.642 8.659 ( 8.354 20.045 1.705) 21.783 10.445 ( -1.741 -6.096 -7.252) 9.633 10.604 ( 0.539 3.917 -1.485) 4.223 12.587 ( -22.118 -22.432 -0.574) 31.508 14.708 ( 4.667 -1.979 2.172) 5.515 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -0.362 10.702 -0.037) 10.708 2.810 ( 6.051 5.612 3.924) 9.138 2.969 ( -2.864 -2.857 -7.201) 8.260 3.414 ( 3.368 19.662 0.203) 19.949 4.166 ( 4.588 2.789 1.335) 5.533 5.512 ( 14.690 9.550 0.774) 17.539 8.505 ( 4.894 5.149 4.580) 8.452 8.983 ( 4.918 19.832 1.639) 20.498 10.331 ( -0.395 -7.408 -5.617) 9.305 10.646 ( -1.625 5.899 -0.967) 6.194 11.985 ( -23.471 -16.907 -2.467) 29.031 14.786 ( 7.482 -5.751 4.331) 10.383 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 0.000 9.305 5.989) 11.066 2.162 ( 0.000 15.821 -6.761) 17.205 2.250 ( 0.000 9.414 10.189) 13.872 2.869 ( 0.000 17.143 0.354) 17.147 3.281 ( 0.000 24.321 2.728) 24.474 4.045 ( 0.000 9.768 -5.855) 11.388 7.734 ( 0.000 15.308 0.367) 15.312 9.244 ( -0.000 -21.302 5.773) 22.070 10.144 ( -0.000 20.677 -19.275) 28.268 10.701 ( -0.000 -6.386 0.012) 6.386 13.767 ( -0.000 -24.978 11.624) 27.550 14.675 ( -0.000 6.521 -9.920) 11.871 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 3.769 6.499 1.915) 7.753 2.345 ( 1.251 11.495 4.590) 12.441 2.422 ( 7.662 15.780 -0.261) 17.544 3.020 ( 1.989 7.678 -0.164) 7.933 3.534 ( 3.746 18.782 -2.591) 19.326 4.230 ( 4.584 22.382 -0.610) 22.855 7.951 ( 6.409 17.178 -0.037) 18.335 8.963 ( -7.484 -19.918 -1.479) 21.329 10.307 ( 3.040 12.989 -8.330) 15.727 10.647 ( 0.449 -5.436 -0.404) 5.470 13.502 ( -4.426 -27.804 10.166) 29.933 14.698 ( -1.767 6.561 -8.850) 11.157 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 5.936 7.251 1.070) 9.432 2.479 ( 2.030 8.835 4.734) 10.226 2.775 ( 11.966 18.736 -0.874) 22.248 3.071 ( 0.546 -0.210 -2.853) 2.912 3.768 ( 5.247 14.313 -1.648) 15.333 4.606 ( 9.799 25.571 0.801) 27.396 8.282 ( 10.561 18.894 0.099) 21.646 8.659 ( -7.534 -10.918 -2.491) 13.497 10.424 ( 2.517 3.428 -3.539) 5.533 10.600 ( -0.188 -3.427 -0.550) 3.476 13.127 ( -9.401 -28.801 6.432) 30.972 14.691 ( -2.662 4.403 -5.674) 7.659 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 5.348 9.077 0.491) 10.547 2.625 ( 3.814 7.704 4.088) 9.519 3.036 ( -1.122 -2.863 -4.024) 5.065 3.165 ( 11.107 19.273 -0.345) 22.247 3.980 ( 5.484 9.725 -0.026) 11.164 5.028 ( 11.722 20.277 0.414) 23.425 8.473 ( -2.191 -1.267 -0.008) 2.531 8.699 ( 10.848 19.693 0.277) 22.485 10.402 ( -2.276 -5.695 -2.944) 6.803 10.616 ( 2.347 3.511 -0.102) 4.225 12.658 ( -14.227 -26.675 2.055) 30.301 14.667 ( -1.257 0.104 -1.554) 2.002 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 2.374 11.058 -0.154) 11.311 2.779 ( 4.984 5.631 1.904) 7.757 2.966 ( -2.064 -2.954 -2.717) 4.513 3.520 ( 7.705 19.297 0.149) 20.779 4.137 ( 3.853 5.533 0.407) 6.754 5.389 ( 11.269 12.084 0.209) 16.525 8.500 ( 3.121 4.980 2.225) 6.284 9.075 ( 8.523 19.782 0.977) 21.562 10.268 ( -3.141 -8.207 -2.464) 9.126 10.715 ( 1.943 7.854 -0.402) 8.101 12.145 ( -17.305 -21.032 -1.351) 27.270 14.648 ( 2.151 -5.036 1.734) 5.745 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 0.000 5.603 -0.069) 5.603 2.459 ( 0.000 8.201 3.194) 8.801 2.500 ( 0.000 18.123 -1.345) 18.172 3.059 ( 0.000 2.567 -0.524) 2.620 3.679 ( 0.000 17.472 -2.067) 17.594 4.446 ( 0.000 28.253 0.778) 28.264 8.059 ( 0.000 17.240 -0.995) 17.269 8.825 ( -0.000 -16.923 -6.910) 18.279 10.377 ( 0.000 7.915 -2.142) 8.199 10.589 ( -0.000 -4.864 0.909) 4.948 13.279 ( -0.000 -30.689 9.734) 32.195 14.761 ( -0.000 7.634 -8.777) 11.632 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 4.891 5.735 -0.201) 7.540 2.550 ( 0.802 8.547 0.757) 8.618 2.756 ( 9.187 16.753 -0.704) 19.120 3.059 ( -0.259 -1.492 -0.433) 1.575 3.853 ( 1.685 14.819 -0.905) 14.942 4.766 ( 3.591 28.272 0.652) 28.506 8.296 ( 7.716 17.462 -1.249) 19.132 8.629 ( -3.132 -9.888 -8.176) 13.207 10.431 ( 0.063 1.909 2.219) 2.928 10.559 ( 0.857 -3.019 0.873) 3.258 12.958 ( -3.959 -32.158 7.383) 33.231 14.782 ( -3.144 6.749 -7.332) 10.450 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 8.020 6.394 0.165) 10.258 2.662 ( 2.236 8.302 -0.166) 8.599 3.016 ( -0.396 -2.673 0.349) 2.725 3.127 ( 12.899 15.864 -0.308) 20.449 4.013 ( 2.369 10.507 -0.386) 10.777 5.105 ( 5.197 23.462 0.111) 24.031 8.482 ( -1.120 -0.825 -5.170) 5.354 8.675 ( 12.592 17.089 -1.743) 21.299 10.398 ( -3.252 -4.609 2.702) 6.255 10.592 ( 3.562 2.038 1.161) 4.265 12.564 ( -7.204 -30.787 4.255) 31.904 14.740 ( -5.557 3.804 -4.769) 8.252 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 0.000 5.195 -0.574) 5.227 2.624 ( 0.000 8.242 -1.909) 8.460 2.828 ( 0.000 15.204 -0.421) 15.209 3.041 ( 0.000 -3.105 2.046) 3.719 3.979 ( 0.000 13.061 -0.503) 13.070 5.018 ( 0.000 27.302 0.061) 27.302 8.386 ( 0.000 16.153 -1.601) 16.232 8.543 ( -0.000 -5.704 -10.276) 11.753 10.456 ( 0.000 -0.185 6.223) 6.226 10.528 ( 0.000 -1.834 1.256) 2.223 12.681 ( -0.000 -34.206 6.114) 34.748 14.863 ( -0.000 7.445 -7.312) 10.436 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 5.671 5.027 -0.231) 7.582 2.709 ( 1.250 8.337 -2.789) 8.879 3.002 ( -0.036 -1.892 4.016) 4.440 3.065 ( 9.171 11.652 0.110) 14.829 4.093 ( 0.174 9.589 -0.795) 9.623 5.286 ( 1.508 23.381 -0.502) 23.435 8.475 ( -0.560 1.150 -7.900) 8.003 8.625 ( 9.637 14.748 -1.893) 17.719 10.433 ( -3.349 -3.046 6.265) 7.729 10.553 ( 3.017 0.751 1.931) 3.659 12.335 ( -2.286 -33.614 4.046) 33.934 14.871 ( -4.776 6.231 -6.208) 10.009 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 0.000 4.336 -0.096) 4.337 2.772 ( 0.000 8.555 -3.233) 9.146 2.993 ( 0.000 -4.410 7.191) 8.436 3.090 ( 0.000 11.363 -0.078) 11.364 4.175 ( 0.000 7.315 -1.563) 7.480 5.492 ( 0.000 20.502 -1.087) 20.531 8.486 ( -0.000 5.259 -6.802) 8.598 8.669 ( 0.000 12.948 -0.651) 12.964 10.471 ( 0.000 -2.455 8.282) 8.638 10.526 ( 0.000 0.762 0.358) 0.842 12.023 ( -0.000 -33.967 2.472) 34.057 14.961 ( -0.000 6.497 -6.325) 9.068 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 0.000 -0.000 14.592) 14.592 1.102 ( 0.000 -0.000 14.592) 14.592 1.922 ( -0.000 0.000 -6.376) 6.376 1.922 ( -0.000 0.000 -6.376) 6.376 2.431 ( 0.000 -0.000 35.298) 35.298 4.581 ( -0.000 0.000 -20.233) 20.233 7.241 ( 0.000 -0.000 2.318) 2.318 7.241 ( 0.000 -0.000 2.318) 2.318 10.960 ( 0.000 0.000 -1.317) 1.317 10.960 ( 0.000 0.000 -1.317) 1.317 14.448 ( 0.000 -0.000 1.634) 1.634 14.543 ( -0.000 0.000 -1.144) 1.144 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 9.361 5.405 13.709) 17.458 1.499 ( 23.501 13.568 12.543) 29.895 1.938 ( 2.868 1.656 -6.281) 7.100 2.028 ( 11.006 6.354 -7.517) 14.765 2.577 ( 4.530 2.615 29.829) 30.284 4.308 ( -12.563 -7.253 -15.283) 21.071 7.302 ( 4.641 2.680 2.002) 5.721 8.021 ( 54.668 31.563 -7.185) 63.533 10.649 ( -24.533 -14.164 -1.586) 28.373 10.927 ( -2.611 -1.507 -1.305) 3.285 14.400 ( -5.273 -3.044 3.991) 7.280 14.553 ( 1.449 0.837 -4.290) 4.605 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 14.103 8.142 11.916) 20.179 1.975 ( 10.729 6.195 16.007) 20.241 2.018 ( 5.950 3.435 -6.646) 9.559 2.419 ( 25.219 14.560 -8.757) 30.408 2.855 ( 14.045 8.109 17.883) 24.142 4.055 ( -5.263 -3.039 -12.089) 13.531 7.463 ( 8.961 5.174 1.681) 10.483 9.185 ( 39.669 22.903 -1.998) 45.850 10.000 ( -24.386 -14.079 -9.222) 29.630 10.839 ( -4.549 -2.626 -1.312) 5.414 14.231 ( -11.304 -6.527 7.084) 14.852 14.558 ( 0.706 0.407 -8.109) 8.149 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 10.643 6.145 8.955) 15.206 2.178 ( 5.411 3.124 14.521) 15.808 2.192 ( 11.677 6.742 -5.559) 14.585 2.926 ( 17.135 9.893 -2.735) 19.974 3.298 ( 19.561 11.293 1.298) 22.624 4.044 ( 8.854 5.112 -5.574) 11.645 7.717 ( 12.582 7.264 1.517) 14.607 9.152 ( -25.491 -14.717 9.716) 30.996 10.151 ( 24.334 14.050 -17.649) 33.182 10.721 ( -5.096 -2.942 -1.339) 6.035 13.902 ( -19.276 -11.129 4.167) 22.645 14.569 ( 2.571 1.484 -4.460) 5.358 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 6.209 3.585 3.391) 7.931 2.358 ( 7.058 4.075 12.234) 14.700 2.502 ( 14.979 8.648 -1.414) 17.354 3.133 ( 2.927 1.690 -6.471) 7.300 3.679 ( 14.808 8.549 -2.389) 17.264 4.450 ( 24.150 13.943 0.510) 27.891 8.036 ( 14.579 8.417 1.473) 16.899 8.680 ( -16.585 -9.575 7.661) 20.626 10.481 ( 8.800 5.080 -12.539) 16.139 10.610 ( -4.036 -2.330 -1.309) 4.841 13.380 ( -26.351 -15.214 -0.503) 30.431 14.657 ( 5.306 3.063 1.728) 6.366 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 4.868 2.811 1.032) 5.715 2.569 ( 8.231 4.752 9.047) 13.122 2.826 ( 13.130 7.581 -0.107) 15.162 3.098 ( -2.602 -1.502 -9.236) 9.712 3.974 ( 10.988 6.344 0.391) 12.694 5.014 ( 23.431 13.528 0.984) 27.074 8.373 ( 14.084 8.131 1.288) 16.314 8.459 ( -4.858 -2.805 7.892) 9.682 10.532 ( 0.060 0.035 -10.445) 10.445 10.539 ( -1.723 -0.995 -1.046) 2.248 12.722 ( -30.097 -17.376 -2.773) 34.863 14.805 ( 6.260 3.614 5.337) 8.986 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 0.000 13.519 9.750) 16.668 1.477 ( 0.000 26.385 13.201) 29.503 1.908 ( -0.000 2.577 -6.373) 6.874 2.019 ( 0.000 13.070 -7.051) 14.851 2.659 ( 0.000 3.664 27.772) 28.013 4.262 ( -0.000 -13.816 -15.044) 20.425 7.307 ( 0.000 5.449 1.764) 5.727 7.998 ( 0.000 61.000 -5.385) 61.238 10.669 ( -0.000 -25.666 -2.715) 25.809 10.917 ( -0.000 -3.366 -0.881) 3.479 14.402 ( -0.000 -7.150 4.230) 8.308 14.541 ( -0.000 1.378 -3.930) 4.165 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 5.139 16.947 9.855) 20.266 1.920 ( 11.510 16.330 14.233) 24.530 1.956 ( 4.029 4.682 -6.727) 9.133 2.245 ( 11.582 21.380 -9.510) 26.109 2.832 ( 5.612 8.352 19.813) 22.221 4.056 ( -4.173 -7.098 -12.140) 14.669 7.421 ( 4.673 8.345 1.389) 9.664 8.874 ( 29.495 48.705 -4.185) 57.093 10.191 ( -19.330 -27.068 -5.743) 33.753 10.860 ( -1.988 -4.240 -0.938) 4.775 14.289 ( -4.386 -11.753 6.850) 14.293 14.543 ( -0.076 1.919 -6.952) 7.213 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 6.955 13.988 9.899) 18.494 2.088 ( 7.730 8.389 -5.567) 12.694 2.185 ( 4.655 7.044 9.722) 12.876 2.734 ( 18.069 18.568 -4.062) 26.225 3.150 ( 13.129 13.822 6.634) 20.185 3.973 ( 2.572 2.767 -7.277) 8.199 7.637 ( 8.496 11.482 1.206) 14.334 9.393 ( -16.048 -18.131 12.604) 27.297 9.881 ( 18.294 21.566 -19.401) 34.296 10.765 ( -3.806 -3.844 -1.138) 5.528 14.039 ( -11.286 -16.326 5.025) 20.474 14.546 ( 0.712 2.751 -5.437) 6.135 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 3.607 8.161 3.904) 9.739 2.322 ( 6.713 5.972 7.940) 11.990 2.410 ( 10.092 15.385 -0.157) 18.400 3.060 ( 6.806 4.628 -3.905) 9.109 3.524 ( 13.664 12.022 -1.752) 18.284 4.232 ( 17.826 15.663 -0.716) 23.741 7.938 ( 10.943 14.185 1.292) 17.962 8.881 ( -18.110 -16.197 6.528) 25.158 10.325 ( 13.050 10.291 -9.676) 19.231 10.657 ( -4.318 -2.727 -1.306) 5.271 13.603 ( -19.495 -19.359 -0.091) 27.474 14.606 ( 3.929 2.765 0.322) 4.815 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 2.603 7.546 1.156) 8.065 2.517 ( 6.977 5.718 7.528) 11.750 2.752 ( 9.956 16.324 0.119) 19.121 3.089 ( -0.954 -1.439 -6.486) 6.712 3.848 ( 11.982 8.879 -0.054) 14.914 4.768 ( 22.539 17.147 0.358) 28.322 8.283 ( 11.010 15.388 1.503) 18.981 8.557 ( -8.474 -6.911 7.541) 13.283 10.479 ( 2.792 0.755 -8.178) 8.674 10.568 ( -2.764 -0.837 -1.100) 3.091 13.008 ( -25.597 -20.251 -3.465) 32.823 14.727 ( 6.628 1.197 4.647) 8.183 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 0.000 17.885 6.114) 18.901 1.945 ( -0.000 5.032 -6.487) 8.210 2.046 ( 0.000 16.829 12.687) 21.075 2.369 ( 0.000 28.193 -7.796) 29.251 2.936 ( 0.000 11.713 15.443) 19.383 3.988 ( -0.000 -5.037 -10.081) 11.269 7.476 ( 0.000 10.723 0.849) 10.757 9.136 ( 0.000 48.255 1.491) 48.278 10.042 ( -0.000 -29.114 -11.744) 31.394 10.822 ( -0.000 -5.626 -0.242) 5.631 14.210 ( -0.000 -16.123 8.194) 18.086 14.550 ( -0.000 3.250 -7.165) 7.868 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 3.854 13.599 8.456) 16.471 2.038 ( 6.431 11.210 -8.310) 15.365 2.226 ( 2.385 8.913 6.567) 11.325 2.711 ( 8.105 24.255 -2.181) 25.666 3.160 ( 5.718 16.483 6.175) 18.507 3.954 ( 1.269 4.354 -5.725) 7.304 7.645 ( 5.407 13.462 0.449) 14.514 9.435 ( -7.134 -19.709 11.054) 23.697 9.845 ( 6.777 24.612 -18.461) 31.504 10.757 ( -0.999 -5.544 -0.304) 5.641 14.012 ( -5.079 -20.482 7.440) 22.376 14.562 ( -0.365 4.362 -6.659) 7.969 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 3.813 7.580 1.864) 8.688 2.311 ( 5.846 11.054 2.435) 12.739 2.411 ( 8.516 15.319 0.365) 17.531 3.002 ( 5.615 8.278 -0.767) 10.032 3.459 ( 8.915 15.560 -0.862) 17.954 4.153 ( 10.591 18.217 -0.761) 21.086 7.924 ( 9.346 16.602 0.424) 19.056 8.987 ( -13.915 -21.601 1.613) 25.746 10.227 ( 9.823 15.787 -4.796) 19.202 10.679 ( -2.248 -4.206 -0.585) 4.805 13.665 ( -12.010 -23.467 3.054) 26.538 14.592 ( 0.927 3.992 -2.774) 4.949 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 3.111 8.978 0.424) 9.511 2.487 ( 5.613 6.954 3.056) 9.444 2.771 ( 10.106 19.860 0.158) 22.284 3.069 ( 0.085 -0.771 -2.448) 2.568 3.760 ( 9.837 12.056 -0.024) 15.560 4.609 ( 17.369 21.245 -0.000) 27.441 8.279 ( 10.564 18.813 0.730) 21.589 8.633 ( -8.269 -10.883 3.169) 14.030 10.422 ( 3.473 3.320 -3.151) 5.746 10.601 ( -2.454 -1.907 -0.483) 3.145 13.164 ( -18.725 -23.840 -1.692) 30.362 14.656 ( 3.500 1.135 1.937) 4.158 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 0.000 5.322 -0.672) 5.364 2.118 ( 0.000 19.691 -1.236) 19.730 2.307 ( 0.000 8.004 1.961) 8.241 2.874 ( 0.000 19.096 1.232) 19.135 3.303 ( 0.000 18.726 1.644) 18.798 4.007 ( 0.000 13.004 -2.194) 13.188 7.734 ( 0.000 14.916 -0.340) 14.919 9.271 ( -0.000 -28.651 -0.372) 28.653 10.023 ( 0.000 27.939 -6.432) 28.670 10.703 ( -0.000 -6.152 0.553) 6.177 13.858 ( -0.000 -24.358 8.166) 25.690 14.597 ( -0.000 5.929 -6.923) 9.115 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 4.288 5.943 -1.158) 7.420 2.357 ( 3.445 13.833 -0.853) 14.281 2.421 ( 6.121 13.096 -1.155) 14.502 3.029 ( 1.263 7.043 2.411) 7.551 3.519 ( 3.518 17.838 -0.673) 18.194 4.228 ( 4.807 23.802 0.150) 24.283 7.947 ( 6.670 16.809 -0.716) 18.098 8.934 ( -6.452 -22.806 -4.745) 24.171 10.274 ( 3.132 15.783 1.136) 16.131 10.648 ( -0.058 -5.259 0.574) 5.291 13.576 ( -5.577 -27.460 5.834) 28.621 14.632 ( -0.816 6.097 -5.318) 8.131 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 0.000 5.905 -1.941) 6.216 2.445 ( -0.000 7.991 -6.139) 10.077 2.495 ( 0.000 18.090 0.128) 18.090 3.079 ( 0.000 1.893 4.717) 5.082 3.669 ( 0.000 17.678 -0.137) 17.679 4.451 ( 0.000 28.452 0.224) 28.452 8.049 ( 0.000 16.930 -1.325) 16.981 8.754 ( -0.000 -18.779 -8.312) 20.537 10.395 ( 0.000 9.854 6.031) 11.553 10.599 ( -0.000 -4.689 1.191) 4.838 13.351 ( -0.000 -30.873 5.760) 31.405 14.693 ( -0.000 7.321 -5.914) 9.412 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 0.000 -0.000 10.446) 10.446 1.217 ( 0.000 -0.000 10.446) 10.446 1.867 ( -0.000 0.000 -5.467) 5.467 1.867 ( -0.000 0.000 -5.467) 5.467 2.715 ( 0.000 -0.000 26.281) 26.281 4.407 ( -0.000 0.000 -17.222) 17.222 7.259 ( 0.000 -0.000 1.538) 1.538 7.259 ( 0.000 -0.000 1.538) 1.538 10.950 ( -0.000 0.000 -0.877) 0.877 10.950 ( 0.000 0.000 -0.877) 0.877 14.462 ( 0.000 -0.000 1.393) 1.393 14.533 ( -0.000 0.000 -1.070) 1.070 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 9.371 5.410 10.231) 14.892 1.596 ( 24.931 14.394 8.166) 29.923 1.884 ( 2.657 1.534 -5.233) 6.066 1.963 ( 9.463 5.463 -6.262) 12.594 2.809 ( 2.497 1.441 20.263) 20.467 4.177 ( -11.110 -6.414 -12.418) 17.855 7.316 ( 4.610 2.662 1.166) 5.449 7.974 ( 51.887 29.957 -3.342) 60.007 10.639 ( -24.880 -14.365 -0.561) 28.735 10.917 ( -2.668 -1.540 -0.859) 3.198 14.435 ( -3.613 -2.086 3.902) 5.712 14.515 ( -0.647 -0.374 -4.154) 4.221 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 14.136 8.161 10.187) 19.241 1.958 ( 5.437 3.139 -6.222) 8.839 2.098 ( 9.791 5.653 10.473) 15.411 2.340 ( 28.204 16.284 -7.822) 33.493 2.989 ( 9.792 5.653 10.403) 15.364 3.960 ( -4.072 -2.351 -7.835) 9.138 7.475 ( 8.990 5.190 0.927) 10.422 9.169 ( 46.967 27.116 -1.796) 54.262 9.949 ( -31.709 -18.307 -1.941) 36.666 10.829 ( -4.625 -2.670 -0.894) 5.414 14.279 ( -11.731 -6.773 2.818) 13.836 14.500 ( 1.049 0.606 -3.889) 4.073 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 7.886 4.553 7.824) 12.005 2.143 ( 13.966 8.063 -5.005) 16.885 2.281 ( 5.802 3.350 7.535) 10.083 2.895 ( 17.592 10.157 -3.349) 20.588 3.308 ( 15.564 8.986 0.549) 17.980 4.007 ( 11.441 6.606 -2.244) 13.401 7.728 ( 12.681 7.321 0.999) 14.677 9.234 ( -27.205 -15.707 7.379) 32.269 10.031 ( 26.369 15.224 -7.829) 31.438 10.711 ( -5.176 -2.988 -1.018) 6.062 13.909 ( -20.397 -11.776 -2.581) 23.693 14.556 ( 4.187 2.418 1.760) 5.146 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 0.000 12.657 4.064) 13.293 1.582 ( 0.000 27.936 9.389) 29.472 1.860 ( -0.000 2.296 -3.541) 4.220 1.959 ( 0.000 11.392 -5.678) 12.729 2.862 ( 0.000 2.183 15.613) 15.765 4.143 ( -0.000 -12.431 -9.835) 15.852 7.319 ( 0.000 5.371 0.863) 5.440 7.964 ( 0.000 58.916 -2.123) 58.954 10.649 ( -0.000 -27.408 -1.646) 27.457 10.912 ( -0.000 -3.269 -0.322) 3.285 14.440 ( 0.000 -4.914 4.162) 6.440 14.506 ( -0.000 -0.688 -3.847) 3.908 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 7.331 16.161 4.599) 18.332 1.906 ( 3.085 3.867 -3.530) 6.077 2.041 ( 10.831 15.498 12.066) 22.430 2.153 ( 12.188 23.468 -10.512) 28.457 2.964 ( 3.805 6.197 8.130) 10.908 3.971 ( -3.670 -6.309 -5.506) 9.142 7.430 ( 4.722 8.266 0.486) 9.532 8.849 ( 30.079 51.348 -1.353) 59.525 10.157 ( -19.226 -31.160 -1.886) 36.663 10.854 ( -2.231 -4.146 -0.325) 4.719 14.340 ( -5.035 -10.784 3.736) 12.475 14.491 ( -0.025 1.311 -3.766) 3.988 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 6.408 12.370 9.407) 16.810 2.024 ( 9.050 9.828 -7.731) 15.436 2.247 ( 5.176 5.846 2.543) 8.212 2.706 ( 18.510 19.991 -1.499) 27.286 3.187 ( 10.266 11.302 0.737) 15.286 3.932 ( 3.797 4.050 -1.202) 5.680 7.645 ( 8.680 11.445 0.407) 14.370 9.484 ( -22.614 -26.209 3.781) 34.823 9.761 ( 25.943 29.114 -3.392) 39.143 10.758 ( -4.026 -3.824 -0.454) 5.571 14.056 ( -13.395 -15.528 -1.625) 20.572 14.525 ( 2.571 2.420 1.006) 3.671 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 0.000 18.052 -3.711) 18.429 1.917 ( 0.000 4.482 1.430) 4.705 2.133 ( 0.000 11.246 4.415) 12.082 2.311 ( 0.000 33.810 -3.052) 33.947 3.025 ( 0.000 9.630 3.167) 10.137 3.930 ( -0.000 -4.179 -1.858) 4.574 7.480 ( 0.000 10.512 -0.041) 10.512 9.152 ( 0.000 54.742 1.827) 54.772 9.964 ( -0.000 -36.633 -5.178) 36.997 10.823 ( -0.000 -5.471 0.350) 5.482 14.271 ( -0.000 -14.934 4.505) 15.599 14.499 ( -0.000 2.374 -3.435) 4.175 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 0.000 -0.000 3.999) 3.999 1.285 ( 0.000 -0.000 3.999) 3.999 1.830 ( -0.000 0.000 -2.331) 2.331 1.830 ( -0.000 0.000 -2.331) 2.331 2.888 ( 0.000 -0.000 10.384) 10.384 4.289 ( -0.000 0.000 -7.360) 7.360 7.268 ( 0.000 -0.000 0.539) 0.539 7.268 ( 0.000 -0.000 0.539) 0.539 10.944 ( 0.000 0.000 -0.308) 0.308 10.944 ( 0.000 0.000 -0.308) 0.308 14.471 ( 0.000 -0.000 0.626) 0.626 14.525 ( -0.000 0.000 -0.513) 0.513 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 10.097 5.830 3.930) 12.304 1.633 ( 25.890 14.948 -0.808) 29.907 1.851 ( 2.199 1.270 -1.623) 3.014 1.930 ( 8.286 4.784 -0.196) 9.569 2.922 ( 1.634 0.943 3.252) 3.760 4.106 ( -10.455 -6.036 -2.191) 12.270 7.322 ( 4.614 2.664 0.163) 5.330 7.957 ( 50.690 29.266 -0.516) 58.534 10.639 ( -24.606 -14.207 0.535) 28.418 10.912 ( -2.745 -1.585 -0.289) 3.183 14.471 ( -1.335 -0.771 3.641) 3.954 14.478 ( -3.268 -1.887 -3.921) 5.442 =================== 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 1201.825 1201.825 2754.231 0.000 -0.000 0.000 3/58956 20.0 328.502 328.502 286.943 0.000 -0.000 0.000 3/58956 30.0 137.823 137.823 96.313 0.000 -0.000 0.000 3/58956 40.0 95.232 95.232 56.311 0.000 -0.000 0.000 3/58956 50.0 77.110 77.110 40.799 0.000 -0.000 0.000 3/58956 60.0 64.951 64.951 32.334 0.000 -0.000 0.000 3/58956 70.0 55.343 55.343 26.776 0.000 -0.000 0.000 3/58956 80.0 47.524 47.524 22.766 0.000 -0.000 0.000 3/58956 90.0 41.177 41.177 19.727 0.000 -0.000 0.000 3/58956 100.0 36.039 36.039 17.353 0.000 -0.000 0.000 3/58956 110.0 31.871 31.871 15.459 0.000 -0.000 0.000 3/58956 120.0 28.469 28.469 13.922 0.000 -0.000 0.000 3/58956 130.0 25.667 25.667 12.654 0.000 -0.000 0.000 3/58956 140.0 23.335 23.335 11.594 0.000 -0.000 0.000 3/58956 150.0 21.375 21.375 10.697 0.000 -0.000 0.000 3/58956 160.0 19.710 19.710 9.930 0.000 -0.000 0.000 3/58956 170.0 18.282 18.282 9.266 0.000 -0.000 0.000 3/58956 180.0 17.045 17.045 8.686 0.000 -0.000 0.000 3/58956 190.0 15.966 15.966 8.176 0.000 -0.000 0.000 3/58956 200.0 15.016 15.016 7.724 0.000 -0.000 0.000 3/58956 210.0 14.175 14.175 7.320 0.000 -0.000 0.000 3/58956 220.0 13.425 13.425 6.957 0.000 -0.000 0.000 3/58956 230.0 12.751 12.751 6.630 0.000 -0.000 0.000 3/58956 240.0 12.144 12.144 6.332 0.000 -0.000 0.000 3/58956 250.0 11.593 11.593 6.061 0.000 -0.000 0.000 3/58956 260.0 11.092 11.092 5.813 0.000 -0.000 0.000 3/58956 270.0 10.633 10.633 5.584 0.000 -0.000 0.000 3/58956 280.0 10.211 10.211 5.374 0.000 -0.000 0.000 3/58956 290.0 9.823 9.823 5.179 0.000 -0.000 0.000 3/58956 300.0 9.464 9.464 4.998 0.000 -0.000 0.000 3/58956 310.0 9.131 9.131 4.829 0.000 -0.000 0.000 3/58956 320.0 8.821 8.821 4.672 0.000 -0.000 0.000 3/58956 330.0 8.533 8.533 4.525 0.000 -0.000 0.000 3/58956 340.0 8.263 8.263 4.387 0.000 -0.000 0.000 3/58956 350.0 8.010 8.010 4.257 0.000 -0.000 0.000 3/58956 360.0 7.772 7.772 4.135 0.000 -0.000 0.000 3/58956 370.0 7.549 7.549 4.020 0.000 -0.000 0.000 3/58956 380.0 7.338 7.338 3.911 0.000 -0.000 0.000 3/58956 390.0 7.139 7.139 3.808 0.000 -0.000 0.000 3/58956 400.0 6.951 6.951 3.710 0.000 -0.000 0.000 3/58956 410.0 6.772 6.772 3.618 0.000 -0.000 0.000 3/58956 420.0 6.603 6.603 3.530 0.000 -0.000 0.000 3/58956 430.0 6.442 6.442 3.446 0.000 -0.000 0.000 3/58956 440.0 6.290 6.290 3.366 0.000 -0.000 0.000 3/58956 450.0 6.144 6.144 3.290 0.000 -0.000 0.000 3/58956 460.0 6.005 6.005 3.217 0.000 -0.000 0.000 3/58956 470.0 5.872 5.872 3.147 0.000 -0.000 0.000 3/58956 480.0 5.745 5.745 3.081 0.000 -0.000 0.000 3/58956 490.0 5.624 5.624 3.017 0.000 -0.000 0.000 3/58956 500.0 5.508 5.508 2.955 0.000 -0.000 0.000 3/58956 510.0 5.396 5.396 2.897 0.000 -0.000 0.000 3/58956 520.0 5.289 5.289 2.840 0.000 -0.000 0.000 3/58956 530.0 5.186 5.186 2.786 0.000 -0.000 0.000 3/58956 540.0 5.088 5.088 2.734 0.000 -0.000 0.000 3/58956 550.0 4.993 4.993 2.684 0.000 -0.000 0.000 3/58956 560.0 4.901 4.901 2.635 0.000 -0.000 0.000 3/58956 570.0 4.813 4.813 2.588 0.000 -0.000 0.000 3/58956 580.0 4.728 4.728 2.543 0.000 -0.000 0.000 3/58956 590.0 4.646 4.646 2.500 0.000 -0.000 0.000 3/58956 600.0 4.567 4.567 2.458 0.000 -0.000 0.000 3/58956 610.0 4.490 4.490 2.417 0.000 -0.000 0.000 3/58956 620.0 4.416 4.416 2.378 0.000 -0.000 0.000 3/58956 630.0 4.345 4.345 2.340 0.000 -0.000 0.000 3/58956 640.0 4.276 4.276 2.303 0.000 -0.000 0.000 3/58956 650.0 4.209 4.209 2.267 0.000 -0.000 0.000 3/58956 660.0 4.144 4.144 2.233 0.000 -0.000 0.000 3/58956 670.0 4.081 4.081 2.199 0.000 -0.000 0.000 3/58956 680.0 4.020 4.020 2.167 0.000 -0.000 0.000 3/58956 690.0 3.961 3.961 2.135 0.000 -0.000 0.000 3/58956 700.0 3.903 3.903 2.104 0.000 -0.000 0.000 3/58956 710.0 3.847 3.847 2.074 0.000 -0.000 0.000 3/58956 720.0 3.793 3.793 2.046 0.000 -0.000 0.000 3/58956 730.0 3.741 3.741 2.017 0.000 -0.000 0.000 3/58956 740.0 3.689 3.689 1.990 0.000 -0.000 0.000 3/58956 750.0 3.639 3.639 1.963 0.000 -0.000 0.000 3/58956 760.0 3.591 3.591 1.937 0.000 -0.000 0.000 3/58956 770.0 3.544 3.544 1.912 0.000 -0.000 0.000 3/58956 780.0 3.498 3.498 1.887 0.000 -0.000 0.000 3/58956 790.0 3.453 3.453 1.864 0.000 -0.000 0.000 3/58956 800.0 3.409 3.409 1.840 0.000 -0.000 0.000 3/58956 810.0 3.367 3.367 1.817 0.000 -0.000 0.000 3/58956 820.0 3.325 3.325 1.795 0.000 -0.000 0.000 3/58956 830.0 3.285 3.285 1.773 0.000 -0.000 0.000 3/58956 840.0 3.245 3.245 1.752 0.000 -0.000 0.000 3/58956 850.0 3.207 3.207 1.732 0.000 -0.000 0.000 3/58956 860.0 3.169 3.169 1.711 0.000 -0.000 0.000 3/58956 870.0 3.132 3.132 1.692 0.000 -0.000 0.000 3/58956 880.0 3.097 3.097 1.672 0.000 -0.000 0.000 3/58956 890.0 3.061 3.061 1.654 0.000 -0.000 0.000 3/58956 900.0 3.027 3.027 1.635 0.000 -0.000 0.000 3/58956 910.0 2.994 2.994 1.617 0.000 -0.000 0.000 3/58956 920.0 2.961 2.961 1.599 0.000 -0.000 0.000 3/58956 930.0 2.929 2.929 1.582 0.000 -0.000 0.000 3/58956 940.0 2.897 2.897 1.565 0.000 -0.000 0.000 3/58956 950.0 2.867 2.867 1.549 0.000 -0.000 0.000 3/58956 960.0 2.837 2.837 1.533 0.000 -0.000 0.000 3/58956 970.0 2.807 2.807 1.517 0.000 -0.000 0.000 3/58956 980.0 2.778 2.778 1.501 0.000 -0.000 0.000 3/58956 990.0 2.750 2.750 1.486 0.000 -0.000 0.000 3/58956 1000.0 2.722 2.722 1.471 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 22:28:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|