----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:33:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.062826192875915 1.190973257748318 7.653853213333324 b -2.062826192875911 1.190973257748318 7.653853213333324 c 0.000000000000002 -2.381946515496639 7.653853213333324 Atomic positions (fractional): *1 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 *2 Rb 0.50000000000000 0.50000000000000 0.50000000000000 85.468 *3 S 0.26587992827594 0.26587992827594 0.26587992827594 32.065 4 S 0.73412007172406 0.73412007172406 0.73412007172406 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.125652385751826 0.000000000000000 0.000000000000000 b -2.062826192875913 3.572919773244957 0.000000000000000 c 0.000000000000000 0.000000000000000 22.961559639999997 Atomic positions (fractional): *1 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 1 2 Bi 0.66666666666667 0.33333333333333 0.33333333333333 208.980 > 1 3 Bi 0.33333333333333 0.66666666666667 0.66666666666667 208.980 > 1 *4 Rb 0.33333333333333 0.66666666666667 0.16666666666667 85.468 > 2 5 Rb 0.00000000000000 0.00000000000000 0.50000000000000 85.468 > 2 6 Rb 0.66666666666667 0.33333333333333 0.83333333333333 85.468 > 2 *7 S 0.00000000000000 0.00000000000000 0.26587992827594 32.065 > 3 8 S 0.66666666666667 0.33333333333333 0.06745340505739 32.065 > 4 9 S 0.66666666666667 0.33333333333333 0.59921326160927 32.065 > 3 10 S 0.33333333333333 0.66666666666667 0.40078673839073 32.065 > 4 11 S 0.33333333333333 0.66666666666667 0.93254659494261 32.065 > 3 12 S 0.00000000000000 0.00000000000000 0.73412007172406 32.065 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.376957157255477 0.000000000000000 0.000000000000000 b -6.188478578627739 10.718759319734872 0.000000000000000 c 0.000000000000000 0.000000000000000 22.961559639999997 Atomic positions (fractional): *1 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 1 2 Bi 0.33333333333333 0.00000000000000 0.00000000000000 208.980 > 1 3 Bi 0.66666666666667 0.00000000000000 0.00000000000000 208.980 > 1 4 Bi 0.00000000000000 0.33333333333333 0.00000000000000 208.980 > 1 5 Bi 0.33333333333333 0.33333333333333 0.00000000000000 208.980 > 1 6 Bi 0.66666666666667 0.33333333333333 0.00000000000000 208.980 > 1 7 Bi 0.00000000000000 0.66666666666667 0.00000000000000 208.980 > 1 8 Bi 0.33333333333333 0.66666666666667 0.00000000000000 208.980 > 1 9 Bi 0.66666666666667 0.66666666666667 0.00000000000000 208.980 > 1 10 Bi 0.22222222222222 0.11111111111111 0.33333333333333 208.980 > 1 11 Bi 0.55555555555556 0.11111111111111 0.33333333333333 208.980 > 1 12 Bi 0.88888888888889 0.11111111111111 0.33333333333333 208.980 > 1 13 Bi 0.22222222222222 0.44444444444444 0.33333333333333 208.980 > 1 14 Bi 0.55555555555556 0.44444444444444 0.33333333333333 208.980 > 1 15 Bi 0.88888888888889 0.44444444444444 0.33333333333333 208.980 > 1 16 Bi 0.22222222222222 0.77777777777778 0.33333333333333 208.980 > 1 17 Bi 0.55555555555556 0.77777777777778 0.33333333333333 208.980 > 1 18 Bi 0.88888888888889 0.77777777777778 0.33333333333333 208.980 > 1 19 Bi 0.11111111111111 0.22222222222222 0.66666666666667 208.980 > 1 20 Bi 0.44444444444444 0.22222222222222 0.66666666666667 208.980 > 1 21 Bi 0.77777777777778 0.22222222222222 0.66666666666667 208.980 > 1 22 Bi 0.11111111111111 0.55555555555556 0.66666666666667 208.980 > 1 23 Bi 0.44444444444444 0.55555555555556 0.66666666666667 208.980 > 1 24 Bi 0.77777777777778 0.55555555555556 0.66666666666667 208.980 > 1 25 Bi 0.11111111111111 0.88888888888889 0.66666666666667 208.980 > 1 26 Bi 0.44444444444444 0.88888888888889 0.66666666666667 208.980 > 1 27 Bi 0.77777777777778 0.88888888888889 0.66666666666667 208.980 > 1 *28 Rb 0.11111111111111 0.22222222222222 0.16666666666667 85.468 > 2 29 Rb 0.44444444444444 0.22222222222222 0.16666666666667 85.468 > 2 30 Rb 0.77777777777778 0.22222222222222 0.16666666666667 85.468 > 2 31 Rb 0.11111111111111 0.55555555555556 0.16666666666667 85.468 > 2 32 Rb 0.44444444444444 0.55555555555556 0.16666666666667 85.468 > 2 33 Rb 0.77777777777778 0.55555555555556 0.16666666666667 85.468 > 2 34 Rb 0.11111111111111 0.88888888888889 0.16666666666667 85.468 > 2 35 Rb 0.44444444444444 0.88888888888889 0.16666666666667 85.468 > 2 36 Rb 0.77777777777778 0.88888888888889 0.16666666666667 85.468 > 2 37 Rb 0.00000000000000 0.00000000000000 0.50000000000000 85.468 > 2 38 Rb 0.33333333333333 0.00000000000000 0.50000000000000 85.468 > 2 39 Rb 0.66666666666667 0.00000000000000 0.50000000000000 85.468 > 2 40 Rb 0.00000000000000 0.33333333333333 0.50000000000000 85.468 > 2 41 Rb 0.33333333333333 0.33333333333333 0.50000000000000 85.468 > 2 42 Rb 0.66666666666667 0.33333333333333 0.50000000000000 85.468 > 2 43 Rb 0.00000000000000 0.66666666666667 0.50000000000000 85.468 > 2 44 Rb 0.33333333333333 0.66666666666667 0.50000000000000 85.468 > 2 45 Rb 0.66666666666667 0.66666666666667 0.50000000000000 85.468 > 2 46 Rb 0.22222222222222 0.11111111111111 0.83333333333333 85.468 > 2 47 Rb 0.55555555555556 0.11111111111111 0.83333333333333 85.468 > 2 48 Rb 0.88888888888889 0.11111111111111 0.83333333333333 85.468 > 2 49 Rb 0.22222222222222 0.44444444444444 0.83333333333333 85.468 > 2 50 Rb 0.55555555555556 0.44444444444444 0.83333333333333 85.468 > 2 51 Rb 0.88888888888889 0.44444444444444 0.83333333333333 85.468 > 2 52 Rb 0.22222222222222 0.77777777777778 0.83333333333333 85.468 > 2 53 Rb 0.55555555555556 0.77777777777778 0.83333333333333 85.468 > 2 54 Rb 0.88888888888889 0.77777777777778 0.83333333333333 85.468 > 2 *55 S 0.00000000000000 0.00000000000000 0.26587992827594 32.065 > 3 56 S 0.33333333333333 0.00000000000000 0.26587992827594 32.065 > 3 57 S 0.66666666666667 0.00000000000000 0.26587992827594 32.065 > 3 58 S 0.00000000000000 0.33333333333333 0.26587992827594 32.065 > 3 59 S 0.33333333333333 0.33333333333333 0.26587992827594 32.065 > 3 60 S 0.66666666666667 0.33333333333333 0.26587992827594 32.065 > 3 61 S 0.00000000000000 0.66666666666667 0.26587992827594 32.065 > 3 62 S 0.33333333333333 0.66666666666667 0.26587992827594 32.065 > 3 63 S 0.66666666666667 0.66666666666667 0.26587992827594 32.065 > 3 64 S 0.22222222222222 0.11111111111111 0.06745340505739 32.065 > 4 65 S 0.55555555555556 0.11111111111111 0.06745340505739 32.065 > 4 66 S 0.88888888888889 0.11111111111111 0.06745340505739 32.065 > 4 67 S 0.22222222222222 0.44444444444444 0.06745340505739 32.065 > 4 68 S 0.55555555555556 0.44444444444444 0.06745340505739 32.065 > 4 69 S 0.88888888888889 0.44444444444444 0.06745340505739 32.065 > 4 70 S 0.22222222222222 0.77777777777778 0.06745340505739 32.065 > 4 71 S 0.55555555555556 0.77777777777778 0.06745340505739 32.065 > 4 72 S 0.88888888888889 0.77777777777778 0.06745340505739 32.065 > 4 73 S 0.22222222222222 0.11111111111111 0.59921326160927 32.065 > 3 74 S 0.55555555555556 0.11111111111111 0.59921326160927 32.065 > 3 75 S 0.88888888888889 0.11111111111111 0.59921326160927 32.065 > 3 76 S 0.22222222222222 0.44444444444444 0.59921326160927 32.065 > 3 77 S 0.55555555555556 0.44444444444444 0.59921326160927 32.065 > 3 78 S 0.88888888888889 0.44444444444444 0.59921326160927 32.065 > 3 79 S 0.22222222222222 0.77777777777778 0.59921326160927 32.065 > 3 80 S 0.55555555555556 0.77777777777778 0.59921326160927 32.065 > 3 81 S 0.88888888888889 0.77777777777778 0.59921326160927 32.065 > 3 82 S 0.11111111111111 0.22222222222222 0.40078673839073 32.065 > 4 83 S 0.44444444444444 0.22222222222222 0.40078673839073 32.065 > 4 84 S 0.77777777777778 0.22222222222222 0.40078673839073 32.065 > 4 85 S 0.11111111111111 0.55555555555556 0.40078673839073 32.065 > 4 86 S 0.44444444444444 0.55555555555556 0.40078673839073 32.065 > 4 87 S 0.77777777777778 0.55555555555556 0.40078673839073 32.065 > 4 88 S 0.11111111111111 0.88888888888889 0.40078673839073 32.065 > 4 89 S 0.44444444444444 0.88888888888889 0.40078673839073 32.065 > 4 90 S 0.77777777777778 0.88888888888889 0.40078673839073 32.065 > 4 91 S 0.11111111111111 0.22222222222222 0.93254659494261 32.065 > 3 92 S 0.44444444444444 0.22222222222222 0.93254659494261 32.065 > 3 93 S 0.77777777777778 0.22222222222222 0.93254659494261 32.065 > 3 94 S 0.11111111111111 0.55555555555556 0.93254659494261 32.065 > 3 95 S 0.44444444444444 0.55555555555556 0.93254659494261 32.065 > 3 96 S 0.77777777777778 0.55555555555556 0.93254659494261 32.065 > 3 97 S 0.11111111111111 0.88888888888889 0.93254659494261 32.065 > 3 98 S 0.44444444444444 0.88888888888889 0.93254659494261 32.065 > 3 99 S 0.77777777777778 0.88888888888889 0.93254659494261 32.065 > 3 100 S 0.00000000000000 0.00000000000000 0.73412007172406 32.065 > 4 101 S 0.33333333333333 0.00000000000000 0.73412007172406 32.065 > 4 102 S 0.66666666666667 0.00000000000000 0.73412007172406 32.065 > 4 103 S 0.00000000000000 0.33333333333333 0.73412007172406 32.065 > 4 104 S 0.33333333333333 0.33333333333333 0.73412007172406 32.065 > 4 105 S 0.66666666666667 0.33333333333333 0.73412007172406 32.065 > 4 106 S 0.00000000000000 0.66666666666667 0.73412007172406 32.065 > 4 107 S 0.33333333333333 0.66666666666667 0.73412007172406 32.065 > 4 108 S 0.66666666666667 0.66666666666667 0.73412007172406 32.065 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.6248598 -0.0000000 0.0000000 0.0000000 9.6248598 0.0000000 0.0000000 0.0000000 4.9970247 -------------------------- Born effective charges -------------------------- 1 Bi 6.2253929 -0.0000000 0.0000000 0.0000000 6.2253929 0.0000000 0.0000000 0.0000000 1.4875932 2 Rb 0.9815388 -0.0000000 0.0000000 0.0000000 0.9815388 0.0000000 0.0000000 0.0000000 2.0140465 3 S -3.6034659 0.0000000 0.0000000 0.0000000 -3.6034659 0.0000000 0.0000000 0.0000000 -1.7508199 4 S -3.6034659 0.0000000 0.0000000 0.0000000 -3.6034659 0.0000000 0.0000000 0.0000000 -1.7508199 ---------------------------------------------------------------------------- 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: 194 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): 0.005 Solver_block: 80 / 80 - Time: 0.120 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.127 --------------------------------- 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: 194 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:33:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:33:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.062826192875915 1.190973257748318 7.653853213333324 b -2.062826192875911 1.190973257748318 7.653853213333324 c 0.000000000000002 -2.381946515496639 7.653853213333324 Atomic positions (fractional): 1 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 2 Rb 0.50000000000000 0.50000000000000 0.50000000000000 85.468 3 S 0.26587992827594 0.26587992827594 0.26587992827594 32.065 4 S 0.73412007172406 0.73412007172406 0.73412007172406 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.376957157255477 0.000000000000000 0.000000000000000 b -6.188478578627739 10.718759319734872 0.000000000000000 c 0.000000000000000 0.000000000000000 22.961559639999997 Atomic positions (fractional): 1 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 1 2 Bi 0.33333333333333 0.00000000000000 0.00000000000000 208.980 > 1 3 Bi 0.66666666666667 0.00000000000000 0.00000000000000 208.980 > 1 4 Bi 0.00000000000000 0.33333333333333 0.00000000000000 208.980 > 1 5 Bi 0.33333333333333 0.33333333333333 0.00000000000000 208.980 > 1 6 Bi 0.66666666666667 0.33333333333333 0.00000000000000 208.980 > 1 7 Bi 0.00000000000000 0.66666666666667 0.00000000000000 208.980 > 1 8 Bi 0.33333333333333 0.66666666666667 0.00000000000000 208.980 > 1 9 Bi 0.66666666666667 0.66666666666667 0.00000000000000 208.980 > 1 10 Bi 0.22222222222222 0.11111111111111 0.33333333333333 208.980 > 1 11 Bi 0.55555555555556 0.11111111111111 0.33333333333333 208.980 > 1 12 Bi 0.88888888888889 0.11111111111111 0.33333333333333 208.980 > 1 13 Bi 0.22222222222222 0.44444444444444 0.33333333333333 208.980 > 1 14 Bi 0.55555555555556 0.44444444444444 0.33333333333333 208.980 > 1 15 Bi 0.88888888888889 0.44444444444444 0.33333333333333 208.980 > 1 16 Bi 0.22222222222222 0.77777777777778 0.33333333333333 208.980 > 1 17 Bi 0.55555555555556 0.77777777777778 0.33333333333333 208.980 > 1 18 Bi 0.88888888888889 0.77777777777778 0.33333333333333 208.980 > 1 19 Bi 0.11111111111111 0.22222222222222 0.66666666666667 208.980 > 1 20 Bi 0.44444444444444 0.22222222222222 0.66666666666667 208.980 > 1 21 Bi 0.77777777777778 0.22222222222222 0.66666666666667 208.980 > 1 22 Bi 0.11111111111111 0.55555555555556 0.66666666666667 208.980 > 1 23 Bi 0.44444444444444 0.55555555555556 0.66666666666667 208.980 > 1 24 Bi 0.77777777777778 0.55555555555556 0.66666666666667 208.980 > 1 25 Bi 0.11111111111111 0.88888888888889 0.66666666666667 208.980 > 1 26 Bi 0.44444444444444 0.88888888888889 0.66666666666667 208.980 > 1 27 Bi 0.77777777777778 0.88888888888889 0.66666666666667 208.980 > 1 28 Rb 0.11111111111111 0.22222222222222 0.16666666666667 85.468 > 28 29 Rb 0.44444444444444 0.22222222222222 0.16666666666667 85.468 > 28 30 Rb 0.77777777777778 0.22222222222222 0.16666666666667 85.468 > 28 31 Rb 0.11111111111111 0.55555555555556 0.16666666666667 85.468 > 28 32 Rb 0.44444444444444 0.55555555555556 0.16666666666667 85.468 > 28 33 Rb 0.77777777777778 0.55555555555556 0.16666666666667 85.468 > 28 34 Rb 0.11111111111111 0.88888888888889 0.16666666666667 85.468 > 28 35 Rb 0.44444444444444 0.88888888888889 0.16666666666667 85.468 > 28 36 Rb 0.77777777777778 0.88888888888889 0.16666666666667 85.468 > 28 37 Rb 0.00000000000000 0.00000000000000 0.50000000000000 85.468 > 28 38 Rb 0.33333333333333 0.00000000000000 0.50000000000000 85.468 > 28 39 Rb 0.66666666666667 0.00000000000000 0.50000000000000 85.468 > 28 40 Rb 0.00000000000000 0.33333333333333 0.50000000000000 85.468 > 28 41 Rb 0.33333333333333 0.33333333333333 0.50000000000000 85.468 > 28 42 Rb 0.66666666666667 0.33333333333333 0.50000000000000 85.468 > 28 43 Rb 0.00000000000000 0.66666666666667 0.50000000000000 85.468 > 28 44 Rb 0.33333333333333 0.66666666666667 0.50000000000000 85.468 > 28 45 Rb 0.66666666666667 0.66666666666667 0.50000000000000 85.468 > 28 46 Rb 0.22222222222222 0.11111111111111 0.83333333333333 85.468 > 28 47 Rb 0.55555555555556 0.11111111111111 0.83333333333333 85.468 > 28 48 Rb 0.88888888888889 0.11111111111111 0.83333333333333 85.468 > 28 49 Rb 0.22222222222222 0.44444444444444 0.83333333333333 85.468 > 28 50 Rb 0.55555555555556 0.44444444444444 0.83333333333333 85.468 > 28 51 Rb 0.88888888888889 0.44444444444444 0.83333333333333 85.468 > 28 52 Rb 0.22222222222222 0.77777777777778 0.83333333333333 85.468 > 28 53 Rb 0.55555555555556 0.77777777777778 0.83333333333333 85.468 > 28 54 Rb 0.88888888888889 0.77777777777778 0.83333333333333 85.468 > 28 55 S 0.00000000000000 0.00000000000000 0.26587992827594 32.065 > 55 56 S 0.33333333333333 0.00000000000000 0.26587992827594 32.065 > 55 57 S 0.66666666666667 0.00000000000000 0.26587992827594 32.065 > 55 58 S 0.00000000000000 0.33333333333333 0.26587992827594 32.065 > 55 59 S 0.33333333333333 0.33333333333333 0.26587992827594 32.065 > 55 60 S 0.66666666666667 0.33333333333333 0.26587992827594 32.065 > 55 61 S 0.00000000000000 0.66666666666667 0.26587992827594 32.065 > 55 62 S 0.33333333333333 0.66666666666667 0.26587992827594 32.065 > 55 63 S 0.66666666666667 0.66666666666667 0.26587992827594 32.065 > 55 64 S 0.22222222222222 0.11111111111111 0.06745340505739 32.065 > 64 65 S 0.55555555555556 0.11111111111111 0.06745340505739 32.065 > 64 66 S 0.88888888888889 0.11111111111111 0.06745340505739 32.065 > 64 67 S 0.22222222222222 0.44444444444444 0.06745340505739 32.065 > 64 68 S 0.55555555555556 0.44444444444444 0.06745340505739 32.065 > 64 69 S 0.88888888888889 0.44444444444444 0.06745340505739 32.065 > 64 70 S 0.22222222222222 0.77777777777778 0.06745340505739 32.065 > 64 71 S 0.55555555555556 0.77777777777778 0.06745340505739 32.065 > 64 72 S 0.88888888888889 0.77777777777778 0.06745340505739 32.065 > 64 73 S 0.22222222222222 0.11111111111111 0.59921326160927 32.065 > 55 74 S 0.55555555555556 0.11111111111111 0.59921326160927 32.065 > 55 75 S 0.88888888888889 0.11111111111111 0.59921326160927 32.065 > 55 76 S 0.22222222222222 0.44444444444444 0.59921326160927 32.065 > 55 77 S 0.55555555555556 0.44444444444444 0.59921326160927 32.065 > 55 78 S 0.88888888888889 0.44444444444444 0.59921326160927 32.065 > 55 79 S 0.22222222222222 0.77777777777778 0.59921326160927 32.065 > 55 80 S 0.55555555555556 0.77777777777778 0.59921326160927 32.065 > 55 81 S 0.88888888888889 0.77777777777778 0.59921326160927 32.065 > 55 82 S 0.11111111111111 0.22222222222222 0.40078673839073 32.065 > 64 83 S 0.44444444444444 0.22222222222222 0.40078673839073 32.065 > 64 84 S 0.77777777777778 0.22222222222222 0.40078673839073 32.065 > 64 85 S 0.11111111111111 0.55555555555556 0.40078673839073 32.065 > 64 86 S 0.44444444444444 0.55555555555556 0.40078673839073 32.065 > 64 87 S 0.77777777777778 0.55555555555556 0.40078673839073 32.065 > 64 88 S 0.11111111111111 0.88888888888889 0.40078673839073 32.065 > 64 89 S 0.44444444444444 0.88888888888889 0.40078673839073 32.065 > 64 90 S 0.77777777777778 0.88888888888889 0.40078673839073 32.065 > 64 91 S 0.11111111111111 0.22222222222222 0.93254659494261 32.065 > 55 92 S 0.44444444444444 0.22222222222222 0.93254659494261 32.065 > 55 93 S 0.77777777777778 0.22222222222222 0.93254659494261 32.065 > 55 94 S 0.11111111111111 0.55555555555556 0.93254659494261 32.065 > 55 95 S 0.44444444444444 0.55555555555556 0.93254659494261 32.065 > 55 96 S 0.77777777777778 0.55555555555556 0.93254659494261 32.065 > 55 97 S 0.11111111111111 0.88888888888889 0.93254659494261 32.065 > 55 98 S 0.44444444444444 0.88888888888889 0.93254659494261 32.065 > 55 99 S 0.77777777777778 0.88888888888889 0.93254659494261 32.065 > 55 100 S 0.00000000000000 0.00000000000000 0.73412007172406 32.065 > 64 101 S 0.33333333333333 0.00000000000000 0.73412007172406 32.065 > 64 102 S 0.66666666666667 0.00000000000000 0.73412007172406 32.065 > 64 103 S 0.00000000000000 0.33333333333333 0.73412007172406 32.065 > 64 104 S 0.33333333333333 0.33333333333333 0.73412007172406 32.065 > 64 105 S 0.66666666666667 0.33333333333333 0.73412007172406 32.065 > 64 106 S 0.00000000000000 0.66666666666667 0.73412007172406 32.065 > 64 107 S 0.33333333333333 0.66666666666667 0.73412007172406 32.065 > 64 108 S 0.66666666666667 0.66666666666667 0.73412007172406 32.065 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.6248598 -0.0000000 0.0000000 0.0000000 9.6248598 0.0000000 0.0000000 0.0000000 4.9970247 -------------------------- Born effective charges -------------------------- 1 Bi 6.2253929 -0.0000000 0.0000000 0.0000000 6.2253929 0.0000000 0.0000000 0.0000000 1.4875932 2 Rb 0.9815388 -0.0000000 0.0000000 0.0000000 0.9815388 0.0000000 0.0000000 0.0000000 2.0140465 3 S -3.6034659 0.0000000 0.0000000 0.0000000 -3.6034659 0.0000000 0.0000000 0.0000000 -1.7508199 4 S -3.6034659 0.0000000 0.0000000 0.0000000 -3.6034659 0.0000000 0.0000000 0.0000000 -1.7508199 ---------------------------------------------------------------------------- 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[ 28, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxy) 0.00000000 (xxy) 0.00000000 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:33:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:33:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.062826192875915 1.190973257748318 7.653853213333324 b -2.062826192875911 1.190973257748318 7.653853213333324 c 0.000000000000002 -2.381946515496639 7.653853213333324 Atomic positions (fractional): 1 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 2 Rb 0.50000000000000 0.50000000000000 0.50000000000000 85.468 3 S 0.26587992827594 0.26587992827594 0.26587992827594 32.065 4 S 0.73412007172406 0.73412007172406 0.73412007172406 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.376957157255477 0.000000000000000 0.000000000000000 b -6.188478578627739 10.718759319734872 0.000000000000000 c 0.000000000000000 0.000000000000000 22.961559639999997 Atomic positions (fractional): 1 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 1 2 Bi 0.33333333333333 0.00000000000000 0.00000000000000 208.980 > 1 3 Bi 0.66666666666667 0.00000000000000 0.00000000000000 208.980 > 1 4 Bi 0.00000000000000 0.33333333333333 0.00000000000000 208.980 > 1 5 Bi 0.33333333333333 0.33333333333333 0.00000000000000 208.980 > 1 6 Bi 0.66666666666667 0.33333333333333 0.00000000000000 208.980 > 1 7 Bi 0.00000000000000 0.66666666666667 0.00000000000000 208.980 > 1 8 Bi 0.33333333333333 0.66666666666667 0.00000000000000 208.980 > 1 9 Bi 0.66666666666667 0.66666666666667 0.00000000000000 208.980 > 1 10 Bi 0.22222222222222 0.11111111111111 0.33333333333333 208.980 > 1 11 Bi 0.55555555555556 0.11111111111111 0.33333333333333 208.980 > 1 12 Bi 0.88888888888889 0.11111111111111 0.33333333333333 208.980 > 1 13 Bi 0.22222222222222 0.44444444444444 0.33333333333333 208.980 > 1 14 Bi 0.55555555555556 0.44444444444444 0.33333333333333 208.980 > 1 15 Bi 0.88888888888889 0.44444444444444 0.33333333333333 208.980 > 1 16 Bi 0.22222222222222 0.77777777777778 0.33333333333333 208.980 > 1 17 Bi 0.55555555555556 0.77777777777778 0.33333333333333 208.980 > 1 18 Bi 0.88888888888889 0.77777777777778 0.33333333333333 208.980 > 1 19 Bi 0.11111111111111 0.22222222222222 0.66666666666667 208.980 > 1 20 Bi 0.44444444444444 0.22222222222222 0.66666666666667 208.980 > 1 21 Bi 0.77777777777778 0.22222222222222 0.66666666666667 208.980 > 1 22 Bi 0.11111111111111 0.55555555555556 0.66666666666667 208.980 > 1 23 Bi 0.44444444444444 0.55555555555556 0.66666666666667 208.980 > 1 24 Bi 0.77777777777778 0.55555555555556 0.66666666666667 208.980 > 1 25 Bi 0.11111111111111 0.88888888888889 0.66666666666667 208.980 > 1 26 Bi 0.44444444444444 0.88888888888889 0.66666666666667 208.980 > 1 27 Bi 0.77777777777778 0.88888888888889 0.66666666666667 208.980 > 1 28 Rb 0.11111111111111 0.22222222222222 0.16666666666667 85.468 > 28 29 Rb 0.44444444444444 0.22222222222222 0.16666666666667 85.468 > 28 30 Rb 0.77777777777778 0.22222222222222 0.16666666666667 85.468 > 28 31 Rb 0.11111111111111 0.55555555555556 0.16666666666667 85.468 > 28 32 Rb 0.44444444444444 0.55555555555556 0.16666666666667 85.468 > 28 33 Rb 0.77777777777778 0.55555555555556 0.16666666666667 85.468 > 28 34 Rb 0.11111111111111 0.88888888888889 0.16666666666667 85.468 > 28 35 Rb 0.44444444444444 0.88888888888889 0.16666666666667 85.468 > 28 36 Rb 0.77777777777778 0.88888888888889 0.16666666666667 85.468 > 28 37 Rb 0.00000000000000 0.00000000000000 0.50000000000000 85.468 > 28 38 Rb 0.33333333333333 0.00000000000000 0.50000000000000 85.468 > 28 39 Rb 0.66666666666667 0.00000000000000 0.50000000000000 85.468 > 28 40 Rb 0.00000000000000 0.33333333333333 0.50000000000000 85.468 > 28 41 Rb 0.33333333333333 0.33333333333333 0.50000000000000 85.468 > 28 42 Rb 0.66666666666667 0.33333333333333 0.50000000000000 85.468 > 28 43 Rb 0.00000000000000 0.66666666666667 0.50000000000000 85.468 > 28 44 Rb 0.33333333333333 0.66666666666667 0.50000000000000 85.468 > 28 45 Rb 0.66666666666667 0.66666666666667 0.50000000000000 85.468 > 28 46 Rb 0.22222222222222 0.11111111111111 0.83333333333333 85.468 > 28 47 Rb 0.55555555555556 0.11111111111111 0.83333333333333 85.468 > 28 48 Rb 0.88888888888889 0.11111111111111 0.83333333333333 85.468 > 28 49 Rb 0.22222222222222 0.44444444444444 0.83333333333333 85.468 > 28 50 Rb 0.55555555555556 0.44444444444444 0.83333333333333 85.468 > 28 51 Rb 0.88888888888889 0.44444444444444 0.83333333333333 85.468 > 28 52 Rb 0.22222222222222 0.77777777777778 0.83333333333333 85.468 > 28 53 Rb 0.55555555555556 0.77777777777778 0.83333333333333 85.468 > 28 54 Rb 0.88888888888889 0.77777777777778 0.83333333333333 85.468 > 28 55 S 0.00000000000000 0.00000000000000 0.26587992827594 32.065 > 55 56 S 0.33333333333333 0.00000000000000 0.26587992827594 32.065 > 55 57 S 0.66666666666667 0.00000000000000 0.26587992827594 32.065 > 55 58 S 0.00000000000000 0.33333333333333 0.26587992827594 32.065 > 55 59 S 0.33333333333333 0.33333333333333 0.26587992827594 32.065 > 55 60 S 0.66666666666667 0.33333333333333 0.26587992827594 32.065 > 55 61 S 0.00000000000000 0.66666666666667 0.26587992827594 32.065 > 55 62 S 0.33333333333333 0.66666666666667 0.26587992827594 32.065 > 55 63 S 0.66666666666667 0.66666666666667 0.26587992827594 32.065 > 55 64 S 0.22222222222222 0.11111111111111 0.06745340505739 32.065 > 64 65 S 0.55555555555556 0.11111111111111 0.06745340505739 32.065 > 64 66 S 0.88888888888889 0.11111111111111 0.06745340505739 32.065 > 64 67 S 0.22222222222222 0.44444444444444 0.06745340505739 32.065 > 64 68 S 0.55555555555556 0.44444444444444 0.06745340505739 32.065 > 64 69 S 0.88888888888889 0.44444444444444 0.06745340505739 32.065 > 64 70 S 0.22222222222222 0.77777777777778 0.06745340505739 32.065 > 64 71 S 0.55555555555556 0.77777777777778 0.06745340505739 32.065 > 64 72 S 0.88888888888889 0.77777777777778 0.06745340505739 32.065 > 64 73 S 0.22222222222222 0.11111111111111 0.59921326160927 32.065 > 55 74 S 0.55555555555556 0.11111111111111 0.59921326160927 32.065 > 55 75 S 0.88888888888889 0.11111111111111 0.59921326160927 32.065 > 55 76 S 0.22222222222222 0.44444444444444 0.59921326160927 32.065 > 55 77 S 0.55555555555556 0.44444444444444 0.59921326160927 32.065 > 55 78 S 0.88888888888889 0.44444444444444 0.59921326160927 32.065 > 55 79 S 0.22222222222222 0.77777777777778 0.59921326160927 32.065 > 55 80 S 0.55555555555556 0.77777777777778 0.59921326160927 32.065 > 55 81 S 0.88888888888889 0.77777777777778 0.59921326160927 32.065 > 55 82 S 0.11111111111111 0.22222222222222 0.40078673839073 32.065 > 64 83 S 0.44444444444444 0.22222222222222 0.40078673839073 32.065 > 64 84 S 0.77777777777778 0.22222222222222 0.40078673839073 32.065 > 64 85 S 0.11111111111111 0.55555555555556 0.40078673839073 32.065 > 64 86 S 0.44444444444444 0.55555555555556 0.40078673839073 32.065 > 64 87 S 0.77777777777778 0.55555555555556 0.40078673839073 32.065 > 64 88 S 0.11111111111111 0.88888888888889 0.40078673839073 32.065 > 64 89 S 0.44444444444444 0.88888888888889 0.40078673839073 32.065 > 64 90 S 0.77777777777778 0.88888888888889 0.40078673839073 32.065 > 64 91 S 0.11111111111111 0.22222222222222 0.93254659494261 32.065 > 55 92 S 0.44444444444444 0.22222222222222 0.93254659494261 32.065 > 55 93 S 0.77777777777778 0.22222222222222 0.93254659494261 32.065 > 55 94 S 0.11111111111111 0.55555555555556 0.93254659494261 32.065 > 55 95 S 0.44444444444444 0.55555555555556 0.93254659494261 32.065 > 55 96 S 0.77777777777778 0.55555555555556 0.93254659494261 32.065 > 55 97 S 0.11111111111111 0.88888888888889 0.93254659494261 32.065 > 55 98 S 0.44444444444444 0.88888888888889 0.93254659494261 32.065 > 55 99 S 0.77777777777778 0.88888888888889 0.93254659494261 32.065 > 55 100 S 0.00000000000000 0.00000000000000 0.73412007172406 32.065 > 64 101 S 0.33333333333333 0.00000000000000 0.73412007172406 32.065 > 64 102 S 0.66666666666667 0.00000000000000 0.73412007172406 32.065 > 64 103 S 0.00000000000000 0.33333333333333 0.73412007172406 32.065 > 64 104 S 0.33333333333333 0.33333333333333 0.73412007172406 32.065 > 64 105 S 0.66666666666667 0.33333333333333 0.73412007172406 32.065 > 64 106 S 0.00000000000000 0.66666666666667 0.73412007172406 32.065 > 64 107 S 0.33333333333333 0.66666666666667 0.73412007172406 32.065 > 64 108 S 0.66666666666667 0.66666666666667 0.73412007172406 32.065 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.6248598 -0.0000000 0.0000000 0.0000000 9.6248598 0.0000000 0.0000000 0.0000000 4.9970247 -------------------------- Born effective charges -------------------------- 1 Bi 6.2253929 -0.0000000 0.0000000 0.0000000 6.2253929 0.0000000 0.0000000 0.0000000 1.4875932 2 Rb 0.9815388 -0.0000000 0.0000000 0.0000000 0.9815388 0.0000000 0.0000000 0.0000000 2.0140465 3 S -3.6034659 0.0000000 0.0000000 0.0000000 -3.6034659 0.0000000 0.0000000 0.0000000 -1.7508199 4 S -3.6034659 0.0000000 0.0000000 0.0000000 -3.6034659 0.0000000 0.0000000 0.0000000 -1.7508199 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxy) 0.00000000 (xxy) 0.00000000 (xyx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 14 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.86, Number of G-points: 313, Lambda: 0.25 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/288) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.680 ( 0.000 0.000 0.000) 0.000 1.680 ( 0.000 0.000 0.000) 0.000 3.202 ( 0.000 0.000 0.000) 0.000 3.875 ( 0.000 0.000 0.000) 0.000 3.875 ( 0.000 0.000 0.000) 0.000 6.388 ( 0.000 0.000 0.000) 0.000 6.388 ( 0.000 0.000 0.000) 0.000 6.633 ( 0.000 0.000 0.000) 0.000 7.525 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/288) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.304 ( 14.453 8.345 -8.134) 18.566 0.436 ( 20.203 11.664 -10.924) 25.760 0.793 ( 31.241 18.037 17.259) 39.989 1.680 ( 0.338 0.195 -1.613) 1.659 1.980 ( 4.924 2.843 -1.972) 6.018 3.181 ( -1.874 -1.082 0.023) 2.164 3.894 ( 1.339 0.773 1.635) 2.251 6.098 ( -19.147 -11.054 2.194) 22.217 6.339 ( -4.061 -2.345 0.093) 4.690 6.676 ( 7.445 4.298 -41.668) 42.545 7.368 ( -6.423 -3.708 15.846) 17.496 7.588 ( 1.411 0.815 7.759) 7.928 ======================= Grid point 2 (3/288) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 14.340 8.279 -5.890) 17.574 0.859 ( 19.197 11.083 -11.074) 24.779 1.526 ( 27.484 15.868 13.345) 34.428 1.693 ( 1.635 0.944 -3.531) 4.004 2.111 ( 6.544 3.778 -2.703) 8.026 3.117 ( -3.774 -2.179 0.397) 4.376 3.940 ( 1.781 1.028 2.800) 3.474 5.617 ( -21.775 -12.572 -1.117) 25.169 6.219 ( -5.728 -3.307 0.054) 6.614 6.649 ( -0.174 -0.101 -26.152) 26.153 7.256 ( -7.226 -4.172 12.491) 15.022 7.574 ( -4.908 -2.834 5.082) 7.612 ======================= Grid point 3 (4/288) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 13.207 7.625 -3.339) 15.611 1.242 ( 16.617 9.594 -11.086) 22.160 1.740 ( 3.713 2.143 -5.455) 6.938 2.084 ( 15.909 9.185 -0.199) 18.371 2.272 ( 9.363 5.406 3.569) 11.385 3.013 ( -5.559 -3.210 3.675) 7.397 3.978 ( 0.383 0.221 3.264) 3.294 5.118 ( -20.597 -11.892 -1.128) 23.810 6.105 ( -3.519 -2.032 -0.128) 4.065 6.518 ( -5.588 -3.226 -15.067) 16.391 7.094 ( -10.780 -6.224 10.910) 16.552 7.412 ( -7.914 -4.569 -2.441) 9.459 ======================= Grid point 4 (5/288) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 11.110 6.414 -1.515) 12.918 1.536 ( 11.264 6.504 -10.652) 16.812 1.825 ( 4.987 2.880 -6.328) 8.557 2.242 ( 3.674 2.121 -9.007) 9.956 2.552 ( 9.035 5.216 5.144) 11.632 2.898 ( -5.683 -3.281 9.746) 11.749 3.967 ( -2.217 -1.280 3.027) 3.964 4.670 ( -18.282 -10.555 -0.220) 21.111 6.076 ( 1.176 0.679 -0.307) 1.392 6.304 ( -9.439 -5.450 -7.920) 13.473 6.800 ( -15.913 -9.187 4.723) 18.972 7.274 ( -2.588 -1.494 -4.054) 5.036 ======================= Grid point 5 (6/288) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 8.259 4.768 -0.669) 9.560 1.671 ( 2.874 1.659 -8.581) 9.200 1.918 ( 4.354 2.514 -5.411) 7.387 2.290 ( 3.045 1.758 -2.640) 4.397 2.672 ( 1.897 1.095 -2.474) 3.305 2.836 ( -2.622 -1.514 14.305) 14.622 3.905 ( -3.425 -1.977 2.245) 4.548 4.235 ( -19.924 -11.503 -2.954) 23.196 6.074 ( -7.667 -4.426 -3.714) 9.600 6.144 ( 4.214 2.433 -0.339) 4.878 6.458 ( -13.321 -7.691 -0.774) 15.401 7.248 ( 0.598 0.345 -2.097) 2.208 ======================= Grid point 6 (7/288) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 4.491 2.593 -0.297) 5.194 1.646 ( -2.037 -1.176 -4.070) 4.700 1.984 ( 2.385 1.377 -3.043) 4.104 2.383 ( 4.343 2.507 3.813) 6.299 2.699 ( 2.463 1.422 -1.372) 3.157 2.847 ( -0.422 -0.244 9.594) 9.606 3.736 ( -20.189 -11.656 -7.927) 24.623 3.841 ( -2.309 -1.333 1.167) 2.910 5.965 ( -1.026 -0.593 -1.455) 1.876 6.196 ( -8.913 -5.146 -1.366) 10.382 6.238 ( 3.416 1.972 -0.216) 3.951 7.268 ( 1.140 0.658 -0.760) 1.520 ======================= Grid point 7 (8/288) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 0.000 0.000 -0.000) 0.000 1.619 ( 0.000 0.000 0.000) 0.000 2.007 ( 0.000 0.000 -0.000) 0.000 2.452 ( -0.000 -0.000 0.000) 0.000 2.769 ( -0.000 -0.000 0.000) 0.000 2.852 ( 0.000 0.000 -0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.815 ( 0.000 0.000 0.000) 0.000 5.980 ( -0.000 -0.000 0.000) 0.000 6.064 ( 0.000 0.000 0.000) 0.000 6.280 ( 0.000 0.000 0.000) 0.000 7.282 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 16 (9/288) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 0.000 15.059 14.803) 21.116 0.549 ( 0.000 25.598 4.706) 26.027 0.704 ( 0.000 33.017 5.758) 33.515 1.701 ( 0.000 1.421 2.883) 3.215 1.980 ( -0.000 6.385 -2.154) 6.738 3.177 ( -0.000 -2.605 -0.758) 2.713 3.874 ( -0.000 0.740 -2.476) 2.584 6.057 ( -0.000 -18.308 -8.058) 20.003 6.338 ( 0.000 -4.723 -0.092) 4.724 6.704 ( -0.000 19.394 -35.077) 40.081 7.341 ( 0.000 -13.335 13.133) 18.717 7.578 ( 0.000 -0.328 4.736) 4.747 ======================= Grid point 17 (10/288) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( -1.327 14.391 9.669) 17.389 0.883 ( 4.791 25.712 -6.321) 26.908 1.298 ( 22.611 22.334 10.617) 33.508 1.727 ( -0.298 4.928 2.642) 5.599 2.066 ( 2.863 6.633 -2.963) 7.808 3.129 ( -1.481 -3.777 -1.163) 4.221 3.923 ( 3.899 1.934 -0.670) 4.403 5.837 ( -8.538 -18.480 -0.511) 20.364 6.075 ( -9.488 -10.499 -5.500) 15.183 6.725 ( -4.535 10.830 -22.824) 25.667 7.278 ( 0.334 -11.636 10.300) 15.543 7.601 ( 0.797 -3.634 4.786) 6.062 ======================= Grid point 18 (11/288) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 10.933 9.516 2.047) 14.638 1.179 ( 5.777 18.204 -5.643) 19.915 1.720 ( 4.367 8.416 -5.031) 10.734 1.971 ( 13.578 17.916 6.367) 23.364 2.187 ( 6.519 5.096 -0.751) 8.309 3.047 ( -2.666 -5.253 1.161) 6.004 4.020 ( 2.043 5.827 1.554) 6.367 5.381 ( -22.582 -11.256 -1.166) 25.259 5.892 ( 5.755 -20.469 -3.971) 21.631 6.633 ( -8.117 4.441 -13.458) 16.332 7.165 ( -3.559 -11.023 8.323) 14.263 7.511 ( -7.154 -4.893 0.618) 8.689 ======================= Grid point 19 (12/288) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 13.302 7.741 -0.670) 15.405 1.403 ( 6.646 8.476 -5.158) 11.942 1.846 ( 1.446 11.879 -6.440) 13.590 2.184 ( 3.041 4.615 -9.683) 11.149 2.489 ( 10.908 11.369 7.225) 17.333 2.950 ( -2.925 -5.940 6.319) 9.153 4.096 ( -3.681 9.840 2.565) 10.814 4.887 ( -20.504 -11.410 -0.679) 23.475 5.825 ( 10.850 -19.125 -2.969) 22.188 6.453 ( -10.963 -0.770 -6.573) 12.805 6.971 ( -9.679 -10.674 5.891) 15.567 7.317 ( -7.309 -3.034 -4.293) 9.003 ======================= Grid point 20 (13/288) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 10.553 7.556 -0.834) 13.006 1.552 ( 6.509 2.449 -6.594) 9.584 1.947 ( -0.957 9.965 -5.606) 11.473 2.238 ( 3.335 1.851 -5.448) 6.650 2.694 ( 0.662 6.590 -0.063) 6.624 2.890 ( -1.165 -3.003 11.670) 12.106 4.097 ( -9.614 12.272 2.306) 15.759 4.431 ( -18.347 -13.384 -1.660) 22.771 5.858 ( 12.774 -15.135 -3.077) 20.043 6.223 ( -10.194 -3.400 -1.293) 10.824 6.674 ( -14.492 -5.091 -0.378) 15.365 7.217 ( -0.155 -2.583 -2.898) 3.885 ======================= Grid point 21 (14/288) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 5.366 5.798 -0.402) 7.910 1.642 ( 3.341 3.150 -6.324) 7.816 1.974 ( -1.806 4.315 -3.767) 6.006 2.323 ( 5.044 1.530 1.341) 5.439 2.703 ( -1.419 1.783 0.015) 2.279 2.912 ( -1.011 2.581 9.373) 9.775 3.940 ( -20.513 -14.077 -5.915) 25.572 4.046 ( -11.570 13.465 1.573) 17.822 5.882 ( 5.694 -11.276 -3.574) 13.128 6.098 ( 0.001 -3.646 2.203) 4.260 6.422 ( -10.635 1.107 -2.523) 10.986 7.214 ( 3.002 -2.898 -1.116) 4.319 ======================= Grid point 22 (15/288) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 0.845 1.956 -1.694) 2.722 1.702 ( -2.435 8.982 -1.441) 9.418 1.971 ( 1.042 -0.966 -2.800) 3.140 2.410 ( 2.719 -0.652 -1.077) 2.997 2.740 ( 2.446 1.339 0.689) 2.872 2.940 ( -3.158 4.269 6.645) 8.506 3.486 ( -11.567 -7.534 -4.629) 14.560 4.003 ( -10.717 15.709 1.231) 19.056 5.862 ( 5.383 -8.967 -1.183) 10.525 6.074 ( -0.873 -2.059 0.936) 2.425 6.330 ( -2.703 3.063 -0.951) 4.194 7.236 ( 3.039 -3.571 -0.127) 4.691 ======================= Grid point 23 (16/288) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -1.492 0.391 -0.423) 1.599 1.716 ( -5.211 7.757 1.519) 9.467 1.977 ( 1.980 -1.645 -1.668) 3.067 2.379 ( -1.745 -3.643 -7.174) 8.233 2.704 ( -1.999 -2.930 -7.344) 8.156 2.925 ( -5.785 5.282 3.744) 8.682 3.547 ( 14.936 7.490 8.078) 18.560 4.000 ( -8.862 17.045 0.659) 19.222 5.876 ( 6.067 -8.440 1.728) 10.536 6.065 ( 1.760 -1.217 -0.999) 2.361 6.339 ( -0.699 4.573 0.822) 4.699 7.240 ( 1.818 -4.214 0.641) 4.634 ======================= Grid point 24 (17/288) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -7.635 -1.823 0.260) 7.854 1.699 ( -2.477 -1.186 5.635) 6.269 1.996 ( -0.677 2.904 0.583) 3.038 2.296 ( -0.422 -2.578 -3.815) 4.624 2.676 ( 3.136 -0.468 -7.473) 8.118 2.866 ( -7.917 5.153 0.765) 9.477 3.991 ( 18.448 10.471 4.655) 21.717 4.039 ( -4.656 16.057 0.192) 16.720 5.917 ( 7.457 -10.800 3.658) 13.625 6.080 ( 3.604 -1.727 -1.715) 4.349 6.441 ( 4.327 9.821 1.326) 10.814 7.228 ( 1.420 -3.605 1.866) 4.300 ======================= Grid point 25 (18/288) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -11.362 -5.351 1.036) 12.601 1.618 ( -4.651 -6.808 7.341) 11.039 1.989 ( -6.091 4.999 3.198) 8.504 2.290 ( 0.067 -0.922 5.664) 5.739 2.704 ( -7.079 2.089 1.583) 7.548 2.774 ( 1.888 1.120 -12.598) 12.788 4.078 ( -6.546 14.646 -1.687) 16.131 4.443 ( 19.635 8.954 0.784) 21.594 5.882 ( 6.521 -18.827 1.962) 20.021 6.239 ( 10.208 7.168 2.141) 12.655 6.668 ( 9.773 9.285 -1.591) 13.574 7.249 ( 2.910 -0.502 3.714) 4.745 ======================= Grid point 26 (19/288) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -12.896 -8.872 2.393) 15.835 1.457 ( -9.389 -4.903 6.293) 12.321 1.903 ( -10.167 4.319 5.576) 12.373 2.266 ( -5.688 -0.842 7.397) 9.369 2.428 ( -19.070 -3.641 -5.745) 20.246 2.889 ( 9.267 1.042 -6.396) 11.308 4.072 ( -6.947 8.616 -2.491) 11.345 4.892 ( 20.362 12.293 0.419) 23.788 5.846 ( 11.190 -18.475 1.623) 21.660 6.514 ( 9.708 8.174 6.231) 14.138 6.911 ( 11.244 3.745 -6.897) 13.712 7.355 ( 5.743 4.045 3.912) 8.041 ======================= Grid point 27 (20/288) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -13.571 -9.109 3.033) 16.623 1.234 ( -16.216 0.491 5.725) 17.204 1.778 ( -11.045 1.103 7.247) 13.256 1.888 ( -26.832 -5.241 -9.600) 28.976 2.207 ( -6.285 -1.778 1.951) 6.817 3.033 ( 7.227 0.724 -1.463) 7.409 4.004 ( -6.032 2.611 -1.914) 6.845 5.389 ( 21.157 13.396 0.572) 25.048 5.917 ( 15.388 -14.714 1.566) 21.348 6.750 ( 5.358 6.873 10.757) 13.844 7.080 ( 9.588 -0.288 -9.176) 13.275 7.508 ( 5.328 3.166 0.091) 6.198 ======================= Grid point 28 (21/288) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -13.658 0.000 0.000) 13.658 0.921 ( -22.886 0.000 0.000) 22.886 1.241 ( -34.867 0.000 0.000) 34.867 1.715 ( -3.252 0.000 0.000) 3.252 2.081 ( -7.210 0.000 0.000) 7.210 3.134 ( 4.221 -0.000 -0.000) 4.221 3.926 ( -3.519 0.000 0.000) 3.519 5.839 ( 20.409 -0.000 -0.000) 20.409 6.099 ( 14.674 -0.000 -0.000) 14.674 6.859 ( -1.244 0.000 0.000) 1.244 7.207 ( 8.246 -0.000 -0.000) 8.246 7.577 ( 1.247 -0.000 -0.000) 1.247 ======================= Grid point 31 (22/288) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 0.000 12.224 8.497) 14.887 1.070 ( 0.000 23.295 4.149) 23.662 1.383 ( 0.000 31.383 4.799) 31.748 1.779 ( 0.000 3.663 5.226) 6.382 2.119 ( -0.000 8.153 -2.567) 8.548 3.091 ( -0.000 -5.226 -1.994) 5.593 3.876 ( -0.000 1.384 -3.618) 3.874 5.612 ( -0.000 -22.787 -1.604) 22.843 6.217 ( 0.000 -6.612 -0.187) 6.615 6.771 ( -0.000 5.435 -23.344) 23.969 7.138 ( 0.000 -14.576 11.344) 18.470 7.557 ( 0.000 -3.714 2.587) 4.526 ======================= Grid point 32 (23/288) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -4.085 13.862 7.283) 16.183 1.304 ( 0.212 18.141 1.184) 18.180 1.749 ( 3.751 16.884 -2.791) 17.519 1.954 ( 12.409 15.773 9.438) 22.178 2.180 ( -0.170 6.594 -4.691) 8.094 3.016 ( -0.949 -6.993 -0.352) 7.066 3.969 ( 8.431 3.354 -1.598) 9.213 5.387 ( 0.311 -24.262 -0.817) 24.278 5.906 ( -21.739 -5.006 -2.708) 22.471 6.717 ( -2.953 -0.222 -13.320) 13.645 7.061 ( 2.446 -15.180 6.973) 16.883 7.523 ( -0.773 -5.450 1.190) 5.632 ======================= Grid point 33 (24/288) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 3.618 13.679 4.378) 14.811 1.444 ( -0.616 10.705 1.567) 10.837 1.916 ( 3.064 11.761 -5.130) 13.192 2.180 ( -0.744 5.079 -9.360) 10.675 2.435 ( 13.690 16.436 5.898) 22.189 2.928 ( -0.847 -7.897 4.263) 9.014 4.183 ( 7.644 8.869 1.395) 11.792 5.082 ( -11.020 -19.533 -1.491) 22.477 5.538 ( -7.594 -9.941 -2.941) 12.851 6.577 ( -7.355 -4.061 -5.411) 9.994 6.939 ( -0.994 -14.482 3.441) 14.918 7.401 ( -6.577 -5.264 -2.332) 8.741 ======================= Grid point 34 (25/288) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 7.951 12.060 1.664) 14.541 1.529 ( 0.498 6.965 0.250) 6.987 2.048 ( 0.613 9.398 -3.436) 10.025 2.184 ( 1.536 1.548 -7.333) 7.651 2.733 ( 3.551 6.193 -0.417) 7.151 2.895 ( 1.885 -0.243 8.874) 9.075 4.349 ( -1.924 8.700 2.122) 9.159 4.647 ( -19.447 -8.247 -2.164) 21.234 5.450 ( 11.430 -14.499 -2.684) 18.657 6.358 ( -10.298 -5.886 -1.018) 11.905 6.763 ( -4.962 -11.602 0.143) 12.619 7.224 ( -5.806 -3.776 -3.914) 7.955 ======================= Grid point 35 (26/288) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 6.700 7.958 -0.090) 10.404 1.621 ( 2.217 8.286 -0.886) 8.623 2.084 ( -3.935 5.957 -2.470) 7.555 2.247 ( 5.433 0.481 1.113) 5.567 2.742 ( -1.016 -2.483 3.553) 4.452 2.990 ( -0.337 7.282 2.521) 7.714 4.097 ( -16.720 -16.986 -4.622) 24.278 4.457 ( -13.829 20.712 1.058) 24.927 5.561 ( 14.757 -11.560 -2.496) 18.911 6.142 ( -7.125 -4.356 1.687) 8.519 6.552 ( -7.486 -6.447 -2.907) 10.298 7.130 ( 0.588 -4.370 -2.152) 4.907 ======================= Grid point 36 (27/288) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 1.916 4.111 -0.997) 4.644 1.770 ( 3.551 9.931 -1.910) 10.719 2.034 ( -6.392 3.556 -0.427) 7.327 2.356 ( 4.198 0.223 3.495) 5.467 2.729 ( 0.506 -0.229 3.627) 3.670 3.040 ( -1.263 5.239 1.410) 5.570 3.620 ( -16.236 -12.192 -6.379) 21.283 4.432 ( -14.325 22.557 0.931) 26.737 5.648 ( 7.960 -9.388 -1.868) 12.449 6.065 ( -0.088 -1.682 2.338) 2.881 6.390 ( -4.097 -2.824 -2.695) 5.659 7.121 ( 3.919 -5.603 -0.612) 6.865 ======================= Grid point 37 (28/288) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -1.146 2.608 -1.420) 3.183 1.900 ( 3.483 4.409 -3.472) 6.605 1.942 ( -8.787 5.533 1.267) 10.461 2.368 ( -2.012 -1.859 -2.113) 3.460 2.703 ( -3.937 -3.121 -5.813) 7.683 3.071 ( -1.818 4.635 3.385) 6.021 3.437 ( 5.087 2.458 4.374) 7.146 4.423 ( -13.888 23.895 1.117) 27.661 5.672 ( 6.340 -8.803 0.312) 10.853 6.053 ( -0.765 -1.365 -0.371) 1.608 6.350 ( 1.624 -0.397 -0.136) 1.678 7.133 ( 4.134 -6.382 0.326) 7.611 ======================= Grid point 38 (29/288) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -3.893 0.086 -0.700) 3.957 1.808 ( -7.826 -1.232 1.002) 7.985 2.002 ( 1.864 5.898 -3.199) 6.964 2.283 ( -2.622 -1.297 -2.936) 4.144 2.602 ( -0.096 -1.720 -8.638) 8.808 3.074 ( -5.651 6.345 3.867) 9.335 3.750 ( 18.444 6.871 6.573) 20.751 4.433 ( -13.094 23.939 1.053) 27.306 5.684 ( 5.550 -12.139 1.755) 13.462 6.028 ( 1.095 -0.743 -1.472) 1.980 6.424 ( 5.292 2.579 0.835) 5.946 7.141 ( 3.737 -5.550 1.338) 6.824 ======================= Grid point 39 (30/288) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -10.268 -2.163 0.165) 10.495 1.669 ( -5.928 -3.178 3.615) 7.636 2.068 ( 1.753 3.001 -3.180) 4.711 2.278 ( 1.247 1.138 4.154) 4.484 2.601 ( 4.499 -0.822 -9.878) 10.885 3.008 ( -11.325 6.018 3.062) 13.186 4.160 ( 19.338 4.498 1.918) 19.947 4.450 ( -11.707 22.814 0.380) 25.645 5.596 ( 3.168 -19.706 0.963) 19.982 6.131 ( 8.862 4.501 0.520) 9.953 6.575 ( 8.238 2.841 -0.485) 8.727 7.178 ( 4.824 -2.168 2.518) 5.857 ======================= Grid point 40 (31/288) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -14.805 -3.255 0.803) 15.180 1.552 ( -5.812 -2.446 2.485) 6.778 2.081 ( -3.632 2.423 0.063) 4.366 2.318 ( -0.386 -0.127 4.896) 4.913 2.695 ( 9.761 -0.157 -5.385) 11.149 2.785 ( -20.019 1.937 -0.255) 20.114 4.321 ( -8.363 6.608 -0.705) 10.682 4.670 ( 16.764 13.072 0.136) 21.258 5.485 ( 7.575 -17.772 0.779) 19.335 6.382 ( 12.972 4.635 1.485) 13.855 6.743 ( 9.395 0.481 -1.980) 9.613 7.286 ( 6.848 1.334 2.286) 7.342 ======================= Grid point 41 (32/288) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -15.485 0.000 0.000) 15.485 1.429 ( -7.778 0.000 0.000) 7.778 1.980 ( -9.261 0.000 0.000) 9.261 2.283 ( -5.077 0.000 0.000) 5.077 2.364 ( -26.936 0.000 0.000) 26.936 2.876 ( 10.653 -0.000 -0.000) 10.653 4.170 ( -10.746 0.000 0.000) 10.746 5.096 ( 21.931 -0.000 -0.000) 21.931 5.568 ( 13.263 -0.000 -0.000) 13.263 6.636 ( 12.203 -0.000 -0.000) 12.203 6.901 ( 9.319 -0.000 -0.000) 9.319 7.423 ( 6.808 -0.000 -0.000) 6.808 ======================= Grid point 46 (33/288) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.000 10.487 2.973) 10.900 1.511 ( 0.000 18.012 2.918) 18.247 1.886 ( 0.000 3.340 3.181) 4.613 2.000 ( 0.000 26.711 2.607) 26.838 2.247 ( -0.000 6.878 -4.262) 8.091 2.943 ( 0.000 -8.835 0.338) 8.842 3.888 ( -0.000 1.676 -2.095) 2.683 5.137 ( 0.000 -24.044 0.026) 24.044 6.102 ( -0.000 -4.024 -0.335) 4.038 6.652 ( -0.000 -4.170 -16.140) 16.670 6.887 ( 0.000 -16.684 7.675) 18.364 7.479 ( 0.000 -4.925 1.696) 5.208 ======================= Grid point 47 (34/288) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -0.381 11.740 2.250) 11.960 1.628 ( -4.860 11.950 4.123) 13.544 1.932 ( 2.685 4.899 -3.254) 6.466 2.234 ( -0.767 5.026 -9.377) 10.667 2.407 ( 9.775 18.951 3.793) 21.658 2.858 ( 0.342 -8.972 4.711) 10.140 4.034 ( 13.612 3.326 0.282) 14.015 4.888 ( -0.887 -24.834 -0.714) 24.860 5.838 ( -22.031 -0.202 -2.042) 22.127 6.569 ( -0.590 -8.107 -5.771) 9.969 6.773 ( 2.975 -15.398 1.207) 15.729 7.417 ( -2.471 -5.105 0.021) 5.672 ======================= Grid point 48 (35/288) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 3.507 12.162 1.437) 12.739 1.651 ( -3.749 7.738 3.537) 9.297 2.034 ( 5.043 2.291 -2.526) 6.088 2.215 ( -2.247 4.498 -7.981) 9.433 2.668 ( 5.357 -2.661 0.143) 5.983 2.891 ( 5.339 7.268 7.122) 11.491 4.342 ( 10.299 3.211 1.985) 10.969 4.629 ( 3.228 -20.710 -2.683) 21.131 5.460 ( -19.738 2.500 -2.139) 20.011 6.418 ( -5.005 -9.878 0.564) 11.088 6.665 ( 0.444 -12.050 -2.698) 12.356 7.285 ( -6.356 -4.573 -2.292) 8.159 ======================= Grid point 49 (36/288) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 4.866 8.431 -0.172) 9.736 1.717 ( 0.055 10.255 4.888) 11.360 2.127 ( 4.656 -0.812 3.066) 5.634 2.208 ( -1.350 4.692 -5.058) 7.030 2.674 ( 4.035 -8.257 4.313) 10.152 3.073 ( 1.502 9.265 -0.044) 9.386 4.145 ( -11.191 -18.462 -4.091) 21.974 4.803 ( 5.556 13.260 1.394) 14.444 5.261 ( -0.329 -1.987 -2.434) 3.160 6.222 ( -7.085 -7.875 2.004) 10.781 6.533 ( -2.036 -9.598 -3.551) 10.434 7.124 ( -5.373 -3.803 -2.656) 7.098 ======================= Grid point 50 (37/288) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 3.430 4.200 -0.460) 5.442 1.859 ( -0.004 12.094 4.711) 12.979 2.157 ( -2.496 1.816 2.067) 3.715 2.280 ( 6.014 1.660 2.942) 6.897 2.698 ( 4.118 -3.808 4.729) 7.337 3.113 ( -2.925 3.506 -3.042) 5.487 3.734 ( -13.915 -13.842 -6.628) 20.716 4.894 ( -11.924 20.975 0.831) 24.142 5.384 ( 13.565 -4.934 -1.722) 14.537 6.070 ( -3.009 -4.201 2.427) 5.709 6.389 ( -3.039 -7.299 -3.627) 8.698 7.026 ( -0.402 -4.677 -1.352) 4.885 ======================= Grid point 51 (38/288) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 1.316 0.401 -0.563) 1.486 1.943 ( -3.494 7.207 2.002) 8.255 2.136 ( -4.450 5.718 1.804) 7.467 2.375 ( 1.027 0.002 1.370) 1.712 2.737 ( -2.006 0.299 -1.122) 2.318 3.071 ( 1.761 -3.013 0.187) 3.495 3.453 ( -4.568 -1.157 -2.219) 5.209 4.897 ( -12.361 21.728 0.947) 25.016 5.501 ( 5.907 -4.546 -0.749) 7.491 6.044 ( 0.483 -1.508 0.839) 1.792 6.289 ( 1.038 -5.491 -1.766) 5.861 6.998 ( 3.232 -6.012 -0.216) 6.830 ======================= Grid point 52 (39/288) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -0.787 -0.662 -0.472) 1.132 1.891 ( -6.454 1.245 -1.948) 6.855 2.115 ( -5.943 5.154 1.324) 7.977 2.327 ( -3.468 -1.016 -1.811) 4.042 2.615 ( -5.802 -0.170 -6.454) 8.680 3.147 ( 3.831 1.126 2.882) 4.924 3.558 ( 11.638 4.806 4.264) 13.294 4.904 ( -12.503 21.804 1.411) 25.174 5.516 ( 2.647 -7.503 0.125) 7.957 6.008 ( -1.128 -2.140 -1.311) 2.752 6.323 ( 6.570 -2.131 0.359) 6.917 7.011 ( 4.757 -5.318 0.552) 7.156 ======================= Grid point 53 (40/288) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -5.217 -0.441 -0.218) 5.240 1.775 ( -6.538 -0.869 -0.665) 6.629 2.052 ( -2.213 0.823 -1.668) 2.891 2.301 ( -0.034 1.451 1.748) 2.272 2.541 ( -1.124 0.020 -4.984) 5.109 3.192 ( -2.690 2.910 1.736) 4.326 3.872 ( 17.675 2.375 2.241) 17.974 4.899 ( -13.140 19.564 1.142) 23.595 5.411 ( -1.534 -14.477 -0.259) 14.560 6.031 ( 5.652 0.980 -0.203) 5.740 6.442 ( 8.075 -0.457 -0.012) 8.088 7.064 ( 5.794 -2.318 0.909) 6.307 ======================= Grid point 54 (41/288) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -11.626 0.000 0.000) 11.626 1.647 ( -6.548 0.000 0.000) 6.548 2.079 ( 3.421 -0.000 -0.000) 3.421 2.326 ( 0.676 -0.000 -0.000) 0.676 2.552 ( 4.233 -0.000 -0.000) 4.233 3.087 ( -12.111 0.000 0.000) 12.111 4.208 ( 18.277 -0.000 -0.000) 18.277 4.783 ( -13.005 0.000 0.000) 13.005 5.302 ( 1.757 -0.000 -0.000) 1.757 6.193 ( 11.161 -0.000 -0.000) 11.161 6.584 ( 8.671 -0.000 -0.000) 8.671 7.169 ( 7.091 -0.000 -0.000) 7.091 ======================= Grid point 61 (42/288) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 0.000 10.310 0.619) 10.328 1.799 ( 0.000 8.712 1.322) 8.812 1.912 ( -0.000 -1.150 -3.383) 3.573 2.217 ( -0.000 1.079 -15.149) 15.188 2.516 ( 0.000 11.357 5.281) 12.525 2.801 ( 0.000 -2.388 8.424) 8.756 3.918 ( 0.000 1.536 1.353) 2.047 4.658 ( 0.000 -23.418 -0.823) 23.433 6.072 ( -0.000 1.443 -0.474) 1.519 6.436 ( -0.000 -9.458 -7.408) 12.014 6.583 ( 0.000 -15.480 1.142) 15.522 7.398 ( 0.000 -3.675 0.620) 3.727 ======================= Grid point 62 (43/288) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 1.419 10.291 0.208) 10.390 1.770 ( -4.310 0.151 -2.613) 5.042 1.955 ( 4.916 0.389 -1.732) 5.226 2.200 ( 3.730 -1.893 -13.293) 13.936 2.554 ( 1.091 -7.889 6.141) 10.057 2.925 ( 3.640 12.409 7.627) 15.013 4.095 ( 16.638 1.792 2.331) 16.896 4.402 ( -2.676 -22.070 -2.580) 22.381 5.869 ( -20.158 4.071 -2.080) 20.670 6.345 ( 0.021 -12.370 2.294) 12.581 6.504 ( 4.732 -9.270 -5.355) 11.705 7.332 ( -3.966 -3.066 -0.503) 5.038 ======================= Grid point 63 (44/288) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 2.656 6.718 -0.949) 7.286 1.771 ( 4.119 3.473 1.781) 5.674 2.038 ( 4.964 -1.534 2.257) 5.665 2.224 ( 3.535 0.709 -8.659) 9.380 2.502 ( 3.382 -11.809 6.462) 13.880 3.122 ( 2.951 9.150 2.522) 9.940 4.103 ( -6.738 -17.552 -4.474) 19.326 4.499 ( 25.389 0.995 1.540) 25.455 5.563 ( -19.718 7.472 -2.011) 21.182 6.213 ( -2.305 -10.908 3.358) 11.644 6.458 ( 0.075 -5.977 -5.052) 7.826 7.201 ( -7.138 -2.492 -1.548) 7.718 ======================= Grid point 64 (45/288) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 3.249 4.272 -0.452) 5.386 1.947 ( 6.172 6.761 7.906) 12.096 2.120 ( 5.392 -1.237 4.676) 7.243 2.268 ( 0.890 3.915 -3.783) 5.516 2.516 ( 9.573 -9.591 3.891) 14.099 3.186 ( -2.818 2.351 -1.708) 4.048 3.790 ( -10.064 -11.852 -5.991) 16.663 4.957 ( 23.646 2.037 1.074) 23.758 5.351 ( -13.413 9.441 -1.804) 16.502 6.080 ( -3.126 -7.022 2.548) 8.098 6.361 ( -3.085 -4.994 -3.805) 6.996 7.049 ( -6.418 -2.375 -1.423) 6.989 ======================= Grid point 65 (46/288) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 0.636 -0.340 -0.352) 0.802 2.099 ( -0.960 6.903 7.642) 10.343 2.210 ( 1.603 2.584 2.202) 3.754 2.333 ( 3.838 1.602 1.237) 4.339 2.669 ( 12.072 -0.691 2.040) 12.263 3.061 ( -7.829 -5.377 -3.727) 10.203 3.525 ( -7.755 -3.561 -4.725) 9.754 5.245 ( -6.206 11.879 1.443) 13.479 5.331 ( 11.288 0.259 -1.682) 11.416 6.015 ( 0.881 -1.904 1.555) 2.612 6.236 ( -3.576 -5.691 -2.614) 7.212 6.938 ( -2.510 -3.221 -0.611) 4.129 ======================= Grid point 66 (47/288) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 1.111 -1.571 -0.207) 1.935 2.080 ( -9.089 3.819 2.760) 10.237 2.245 ( -2.611 4.303 1.885) 5.375 2.346 ( -2.056 -3.510 -1.691) 4.406 2.751 ( -8.989 3.000 -4.428) 10.460 2.993 ( 11.737 -4.088 3.099) 12.809 3.468 ( 3.427 1.392 -0.476) 3.730 5.245 ( -6.217 10.620 1.112) 12.356 5.440 ( 1.560 -1.765 -0.646) 2.443 6.030 ( -3.095 0.510 -0.484) 3.174 6.170 ( 6.334 -4.779 -0.274) 7.939 6.903 ( 2.173 -2.783 0.001) 3.531 ======================= Grid point 67 (48/288) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 0.387 -0.000 -0.000) 0.387 1.908 ( -10.912 0.000 0.000) 10.912 2.162 ( -8.110 0.000 0.000) 8.110 2.305 ( 0.154 -0.000 -0.000) 0.154 2.608 ( -6.839 0.000 0.000) 6.839 3.164 ( 7.052 -0.000 -0.000) 7.052 3.626 ( 12.436 -0.000 -0.000) 12.436 5.210 ( -7.908 0.000 0.000) 7.908 5.377 ( -4.144 0.000 0.000) 4.144 5.978 ( -0.099 0.000 0.000) 0.099 6.295 ( 8.478 -0.000 -0.000) 8.478 6.955 ( 5.142 -0.000 -0.000) 5.142 ======================= Grid point 76 (49/288) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -0.000 8.896 -0.086) 8.896 1.805 ( -0.000 -5.263 -8.115) 9.672 1.815 ( -0.000 -8.455 -6.997) 10.975 2.051 ( -0.000 -6.178 -9.284) 11.152 2.493 ( 0.000 -9.022 8.130) 12.145 3.059 ( 0.000 13.546 7.711) 15.587 3.961 ( 0.000 1.162 3.296) 3.495 4.215 ( -0.000 -18.384 -3.636) 18.740 6.142 ( -0.000 5.131 -0.401) 5.146 6.217 ( 0.000 -9.264 0.196) 9.266 6.315 ( -0.000 -10.069 -4.171) 10.899 7.346 ( -0.000 -1.689 -0.190) 1.700 ======================= Grid point 77 (50/288) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -0.690 0.141 -2.801) 2.888 1.681 ( 5.952 -1.797 -2.732) 6.791 1.877 ( 10.952 -7.231 -5.617) 14.275 2.023 ( 6.176 -7.786 -5.019) 11.133 2.420 ( -0.747 -7.837 6.334) 10.104 3.202 ( 0.098 9.527 5.401) 10.952 4.016 ( -2.910 -13.147 -4.556) 14.216 4.133 ( 16.377 0.520 2.328) 16.550 5.934 ( -16.987 2.810 -2.533) 17.403 6.145 ( -0.748 -8.677 3.331) 9.324 6.356 ( 5.540 -2.464 -3.867) 7.191 7.289 ( -4.813 -1.050 -0.607) 4.964 ======================= Grid point 78 (51/288) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 7.163 0.802 0.168) 7.209 1.849 ( 8.467 0.784 6.140) 10.488 1.997 ( 9.847 -1.863 0.343) 10.027 2.095 ( 14.683 -7.386 -9.121) 18.797 2.366 ( -0.067 -4.717 4.771) 6.710 3.262 ( -2.795 3.645 1.918) 4.978 3.818 ( -6.317 -7.485 -4.473) 10.768 4.517 ( 25.718 0.074 0.851) 25.732 5.674 ( -15.494 3.851 -1.695) 16.055 6.061 ( -1.651 -5.509 2.326) 6.204 6.364 ( -1.114 -1.359 -2.606) 3.143 7.163 ( -7.985 -0.749 -0.802) 8.061 ======================= Grid point 79 (52/288) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 0.663 0.730 -0.195) 1.006 2.046 ( 12.245 -0.185 8.763) 15.059 2.159 ( 7.339 1.611 -1.255) 7.618 2.312 ( 7.772 3.990 -6.573) 10.933 2.373 ( 11.733 -6.519 5.361) 14.454 3.175 ( -8.765 -1.124 -0.942) 8.887 3.625 ( -8.432 -2.559 -2.815) 9.251 4.978 ( 25.330 0.378 0.194) 25.334 5.481 ( -10.257 3.217 -0.660) 10.770 6.001 ( -1.130 -1.946 1.085) 2.498 6.284 ( -5.480 -1.263 -1.415) 5.799 7.012 ( -7.733 -0.789 -0.455) 7.787 ======================= Grid point 80 (53/288) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -0.684 0.000 0.000) 0.684 2.193 ( 0.399 -0.000 -0.000) 0.399 2.264 ( 3.654 -0.000 -0.000) 3.654 2.343 ( 0.415 -0.000 -0.000) 0.415 2.684 ( 19.068 -0.000 -0.000) 19.068 2.967 ( -12.525 0.000 0.000) 12.525 3.483 ( -5.014 0.000 0.000) 5.014 5.330 ( 13.130 -0.000 -0.000) 13.130 5.371 ( -4.924 0.000 0.000) 4.924 6.016 ( 4.359 -0.000 -0.000) 4.359 6.155 ( -7.513 0.000 0.000) 7.513 6.902 ( -3.680 0.000 0.000) 3.680 ======================= Grid point 92 (54/288) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -0.000 -21.622 -9.769) 23.727 1.573 ( -0.000 3.706 -1.557) 4.019 1.653 ( -0.000 -3.373 -5.375) 6.346 1.911 ( 0.000 -6.371 0.703) 6.410 2.371 ( 0.000 -5.887 3.441) 6.819 3.308 ( 0.000 7.090 4.552) 8.426 3.923 ( -0.000 -7.934 -3.995) 8.883 3.999 ( 0.000 0.649 2.397) 2.483 6.086 ( 0.000 -4.468 1.713) 4.785 6.137 ( -0.000 -5.134 -3.547) 6.240 6.241 ( -0.000 4.221 -0.185) 4.225 7.325 ( -0.000 -0.363 -0.321) 0.484 ======================= Grid point 93 (55/288) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 12.769 -9.475 -1.658) 15.987 1.700 ( 13.860 -2.721 -4.423) 14.801 1.740 ( 9.542 2.503 0.716) 9.891 1.866 ( 1.723 -5.578 -0.304) 5.846 2.338 ( 0.373 -2.669 1.536) 3.101 3.353 ( -2.206 3.121 2.221) 4.420 3.832 ( -2.908 -3.404 -2.377) 5.069 4.148 ( 15.614 0.077 0.901) 15.640 5.939 ( -13.223 -0.231 -1.563) 13.317 6.050 ( -0.926 -2.466 1.441) 3.003 6.335 ( 3.399 0.593 -0.858) 3.556 7.276 ( -5.126 -0.133 -0.264) 5.135 ======================= Grid point 94 (56/288) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 13.117 -0.000 -0.000) 13.117 1.861 ( 5.980 -0.000 -0.000) 5.980 1.956 ( 16.678 -0.000 -0.000) 16.678 1.997 ( 15.586 -0.000 -0.000) 15.586 2.337 ( 0.419 -0.000 -0.000) 0.419 3.302 ( -5.771 0.000 0.000) 5.771 3.735 ( -6.037 0.000 0.000) 6.037 4.519 ( 25.768 -0.000 -0.000) 25.768 5.700 ( -13.488 0.000 0.000) 13.488 6.018 ( -1.584 0.000 0.000) 1.584 6.347 ( -1.943 0.000 0.000) 1.943 7.154 ( -8.339 0.000 0.000) 8.339 ======================= Grid point 109 (57/288) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.000 0.000 0.000) 0.000 1.552 ( 0.000 0.000 0.000) 0.000 1.650 ( 0.000 0.000 0.000) 0.000 1.838 ( 0.000 0.000 0.000) 0.000 2.321 ( 0.000 0.000 0.000) 0.000 3.393 ( 0.000 0.000 0.000) 0.000 3.837 ( 0.000 -0.000 0.000) 0.000 4.013 ( 0.000 0.000 0.000) 0.000 6.049 ( 0.000 0.000 0.000) 0.000 6.073 ( 0.000 0.000 0.000) 0.000 6.285 ( 0.000 -0.000 0.000) 0.000 7.321 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 218 (58/288) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.209 ( 0.000 -0.000 21.901) 21.901 0.209 ( 0.000 -0.000 21.901) 21.901 0.339 ( 0.000 -0.000 36.077) 36.077 1.686 ( 0.000 -0.000 1.230) 1.230 1.686 ( 0.000 -0.000 1.230) 1.230 3.595 ( -0.000 0.000 -4.183) 4.183 3.871 ( -0.000 0.000 -0.930) 0.930 3.871 ( -0.000 0.000 -0.930) 0.930 6.388 ( 0.000 -0.000 0.023) 0.023 6.388 ( 0.000 -0.000 0.023) 0.023 7.529 ( 0.000 -0.000 0.989) 0.989 7.792 ( -0.000 0.000 -0.314) 0.314 ======================= Grid point 219 (59/288) ======================= q-point: ( 0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.296 ( 9.602 5.544 6.664) 12.936 0.416 ( 13.747 7.937 7.176) 17.421 0.975 ( 28.500 16.454 20.668) 38.861 1.671 ( -0.516 -0.298 -0.288) 0.662 1.949 ( 5.794 3.345 -4.255) 7.929 3.176 ( -2.555 -1.475 -1.311) 3.228 3.904 ( 2.053 1.186 0.555) 2.435 6.089 ( -10.346 -5.973 -19.095) 22.524 6.174 ( 21.035 12.145 -42.864) 49.268 6.340 ( -4.055 -2.341 0.072) 4.683 7.462 ( -5.347 -3.087 5.059) 7.982 7.703 ( -1.642 -0.948 12.819) 12.958 ======================= Grid point 220 (60/288) ======================= q-point: ( 0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 13.618 7.862 -0.513) 15.733 0.790 ( 17.019 9.826 -3.111) 19.896 1.645 ( 23.886 13.790 10.903) 29.658 1.667 ( 0.606 0.350 -2.080) 2.195 2.088 ( 7.441 4.296 -1.516) 8.725 3.113 ( -2.767 -1.597 -1.312) 3.454 3.961 ( 2.288 1.321 1.658) 3.119 5.599 ( -21.746 -12.555 -2.801) 25.266 6.219 ( -5.781 -3.338 -0.042) 6.675 6.390 ( 6.639 3.833 -28.414) 29.430 7.342 ( -6.572 -3.794 6.479) 9.978 7.633 ( -8.169 -4.716 6.902) 11.688 ======================= Grid point 221 (61/288) ======================= q-point: ( 0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 13.466 7.775 -1.632) 15.635 1.155 ( 15.546 8.975 -7.078) 19.296 1.694 ( 2.751 1.588 -4.287) 5.335 2.040 ( 9.391 5.422 -8.057) 13.509 2.341 ( 13.076 7.550 9.863) 18.035 3.042 ( -3.372 -1.947 2.314) 4.530 4.005 ( 0.644 0.372 2.390) 2.503 5.107 ( -19.996 -11.545 -1.105) 23.116 6.103 ( -3.593 -2.074 -0.282) 4.158 6.372 ( -1.730 -0.999 -15.839) 15.964 7.184 ( -10.699 -6.177 8.354) 14.913 7.390 ( -11.014 -6.359 -2.213) 12.909 ======================= Grid point 222 (62/288) ======================= q-point: ( 0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 11.474 6.624 -1.268) 13.309 1.442 ( 11.012 6.358 -9.255) 15.727 1.765 ( 4.637 2.677 -6.343) 8.301 2.157 ( 4.973 2.871 -8.969) 10.649 2.605 ( 6.040 3.487 5.942) 9.163 2.981 ( -2.964 -1.711 7.857) 8.570 3.995 ( -2.228 -1.286 2.866) 3.851 4.667 ( -18.527 -10.697 -0.415) 21.397 6.073 ( 1.157 0.668 -0.460) 1.412 6.228 ( -7.025 -4.056 -8.290) 11.598 6.833 ( -18.681 -10.786 2.252) 21.688 7.243 ( -1.923 -1.110 -2.474) 3.324 ======================= Grid point 223 (63/288) ======================= q-point: ( 0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 8.481 4.897 -0.678) 9.817 1.589 ( 4.124 2.381 -8.942) 10.130 1.857 ( 4.920 2.841 -7.339) 9.281 2.255 ( 5.618 3.244 -4.843) 8.096 2.669 ( 0.101 0.058 1.611) 1.615 2.960 ( -1.720 -0.993 12.117) 12.278 3.931 ( -3.712 -2.143 3.113) 5.298 4.203 ( -21.877 -12.631 -3.773) 25.541 6.040 ( -6.356 -3.669 -3.460) 8.114 6.141 ( 4.267 2.464 -0.413) 4.945 6.445 ( -13.966 -8.063 -1.806) 16.228 7.234 ( 1.014 0.586 -0.868) 1.458 ======================= Grid point 224 (64/288) ======================= q-point: ( 0.50 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 4.625 2.670 -0.183) 5.343 1.600 ( -0.144 -0.083 -5.831) 5.834 1.937 ( 3.747 2.163 -6.799) 8.059 2.364 ( 4.398 2.539 -7.153) 8.773 2.699 ( 2.741 1.583 2.304) 3.915 2.962 ( -1.929 -1.113 13.160) 13.347 3.667 ( -20.324 -11.734 -6.373) 24.318 3.861 ( -2.857 -1.650 3.047) 4.491 5.954 ( -0.399 -0.231 -0.934) 1.042 6.184 ( -8.433 -4.869 -1.340) 9.829 6.236 ( 3.504 2.023 -0.195) 4.050 7.264 ( 1.368 0.790 -0.040) 1.580 ======================= Grid point 225 (65/288) ======================= q-point: (-0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 1.818 1.049 -2.471) 3.242 1.619 ( 0.095 0.055 0.181) 0.211 1.984 ( 1.858 1.073 -4.713) 5.178 2.382 ( -0.276 -0.160 -13.389) 13.392 2.720 ( -2.431 -1.404 -7.893) 8.377 2.928 ( -4.376 -2.526 12.220) 13.224 3.458 ( 5.633 3.252 6.281) 9.042 3.827 ( -0.775 -0.448 2.427) 2.587 5.982 ( 0.431 0.249 0.382) 0.627 6.066 ( 0.625 0.361 0.313) 0.787 6.280 ( 0.084 0.049 0.048) 0.109 7.284 ( 0.185 0.107 0.506) 0.550 ======================= Grid point 226 (66/288) ======================= q-point: (-0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -4.410 -2.546 0.399) 5.108 1.676 ( 4.364 2.519 2.178) 5.489 1.992 ( -0.437 -0.252 -1.386) 1.475 2.305 ( -0.958 -0.553 -11.611) 11.664 2.652 ( 0.756 0.437 -11.218) 11.252 2.850 ( -5.413 -3.125 9.087) 11.029 3.810 ( 18.607 10.743 7.663) 22.811 3.840 ( 1.416 0.817 1.063) 1.950 5.980 ( 1.646 0.950 1.788) 2.609 6.208 ( 9.096 5.251 0.971) 10.548 6.240 ( -3.361 -1.940 0.194) 3.885 7.278 ( -0.775 -0.447 1.355) 1.624 ======================= Grid point 227 (67/288) ======================= q-point: (-0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -8.073 -4.661 0.617) 9.342 1.745 ( -1.183 -0.683 7.149) 7.278 1.955 ( -2.859 -1.651 2.338) 4.045 2.306 ( 1.674 0.966 1.001) 2.177 2.680 ( 4.730 2.731 -12.101) 13.277 2.731 ( -6.804 -3.928 2.785) 8.336 3.891 ( 2.632 1.520 -0.822) 3.149 4.257 ( 18.097 10.448 1.739) 20.968 6.108 ( 8.743 5.048 3.629) 10.728 6.147 ( -4.197 -2.423 0.199) 4.850 6.458 ( 12.225 7.058 -0.809) 14.139 7.272 ( 0.035 0.020 2.911) 2.912 ======================= Grid point 228 (68/288) ======================= q-point: (-0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -10.528 -6.078 1.444) 12.242 1.634 ( -10.468 -6.044 9.993) 15.683 1.880 ( -4.446 -2.567 5.117) 7.249 2.320 ( -2.837 -1.638 7.325) 8.024 2.512 ( -12.725 -7.347 -3.307) 15.062 2.805 ( 8.601 4.966 -9.820) 13.966 3.940 ( 1.746 1.008 -2.588) 3.281 4.671 ( 18.389 10.617 -0.025) 21.234 6.078 ( -1.199 -0.692 0.097) 1.388 6.373 ( 11.639 6.720 6.815) 15.069 6.746 ( 13.061 7.541 -6.696) 16.501 7.315 ( 3.019 1.743 4.490) 5.684 ======================= Grid point 229 (69/288) ======================= q-point: (-0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -12.056 -6.961 3.904) 14.458 1.352 ( -16.303 -9.412 12.045) 22.349 1.794 ( -4.180 -2.413 5.859) 7.591 2.048 ( -22.443 -12.958 -6.040) 26.610 2.271 ( -5.854 -3.380 1.473) 6.918 2.978 ( 7.423 4.286 -3.623) 9.306 3.946 ( -0.414 -0.239 -3.592) 3.624 5.128 ( 20.941 12.090 0.919) 24.198 6.105 ( 3.471 2.004 -0.047) 4.008 6.648 ( 9.159 5.288 12.659) 16.496 6.981 ( 9.527 5.500 -13.121) 17.122 7.435 ( 5.709 3.296 2.647) 7.104 ======================= Grid point 230 (70/288) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -12.951 -7.478 8.471) 17.187 0.979 ( -19.131 -11.045 13.277) 25.774 1.414 ( -29.176 -16.845 -9.493) 35.002 1.732 ( -2.568 -1.482 4.707) 5.563 2.128 ( -6.754 -3.900 0.547) 7.819 3.107 ( 4.424 2.554 -1.448) 5.310 3.910 ( -1.388 -0.801 -3.518) 3.866 5.621 ( 21.019 12.136 -0.217) 24.272 6.219 ( 5.708 3.296 -0.135) 6.593 6.846 ( 2.900 1.674 12.073) 12.528 7.123 ( 7.618 4.398 -12.225) 15.061 7.547 ( 2.985 1.723 -0.634) 3.504 ======================= Grid point 233 (71/288) ======================= q-point: ( 0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -0.000 27.187 -1.017) 27.206 0.561 ( 0.000 11.816 14.888) 19.007 0.883 ( 0.000 22.754 25.046) 33.839 1.733 ( 0.000 2.380 3.904) 4.573 1.944 ( -0.000 8.341 -5.146) 9.801 3.166 ( -0.000 -4.038 -1.730) 4.393 3.849 ( -0.000 0.087 -2.912) 2.913 5.881 ( -0.000 14.211 -34.270) 37.099 6.337 ( 0.000 -4.776 -0.072) 4.777 6.350 ( -0.000 17.518 -27.075) 32.248 7.444 ( 0.000 -10.484 7.021) 12.618 7.656 ( 0.000 -6.105 9.804) 11.550 ======================= Grid point 234 (72/288) ======================= q-point: ( 0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -5.497 13.424 12.569) 19.194 0.835 ( 3.793 25.789 -2.550) 26.191 1.409 ( 18.937 15.853 12.192) 27.542 1.762 ( -0.892 7.962 4.555) 9.216 2.031 ( 3.169 6.505 -3.990) 8.263 3.112 ( -0.967 -3.390 -2.627) 4.396 3.915 ( 5.806 1.205 -1.139) 6.038 5.828 ( -4.151 -19.507 -1.713) 20.017 5.984 ( -13.323 -2.181 -14.581) 19.871 6.514 ( -0.881 14.433 -19.472) 24.253 7.359 ( -1.002 -10.569 6.881) 12.651 7.655 ( 0.913 -7.287 6.165) 9.589 ======================= Grid point 235 (73/288) ======================= q-point: ( 0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 6.443 10.629 6.151) 13.868 1.136 ( 4.735 20.074 -3.115) 20.858 1.685 ( 2.730 6.410 -2.471) 7.393 1.976 ( 5.227 12.565 -5.069) 14.522 2.222 ( 12.855 8.112 8.112) 17.230 3.052 ( -1.121 -3.850 -0.127) 4.012 4.033 ( 3.164 5.678 1.060) 6.586 5.368 ( -22.779 -10.675 -1.639) 25.210 5.843 ( 7.378 -19.571 -6.433) 21.882 6.511 ( -6.549 8.569 -12.256) 16.326 7.233 ( -3.280 -11.286 6.345) 13.357 7.517 ( -9.166 -7.664 0.530) 11.960 ======================= Grid point 236 (74/288) ======================= q-point: ( 0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 11.175 8.683 1.608) 14.243 1.363 ( 4.551 10.867 -3.324) 12.242 1.788 ( 0.883 11.417 -5.557) 12.728 2.091 ( 3.593 5.137 -10.145) 11.925 2.557 ( 9.167 8.222 7.110) 14.219 3.002 ( -0.698 -3.914 4.764) 6.205 4.119 ( -3.379 9.844 2.232) 10.644 4.880 ( -20.128 -11.660 -0.792) 23.275 5.792 ( 11.453 -19.137 -3.955) 22.650 6.394 ( -9.759 2.531 -5.999) 11.731 7.020 ( -11.361 -13.062 4.427) 17.868 7.278 ( -7.291 -3.261 -3.952) 8.911 ======================= Grid point 237 (75/288) ======================= q-point: ( 0.43 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 10.127 8.036 -0.213) 12.930 1.498 ( 4.153 4.399 -4.833) 7.743 1.888 ( -0.994 11.222 -6.683) 13.099 2.188 ( 5.211 4.542 -5.250) 8.680 2.702 ( -0.232 3.803 1.504) 4.096 2.989 ( 0.251 -2.350 9.448) 9.739 4.120 ( -9.520 11.819 2.460) 15.375 4.413 ( -19.322 -14.528 -2.314) 24.285 5.827 ( 12.523 -15.041 -3.497) 19.882 6.215 ( -8.819 -1.342 -0.450) 8.932 6.661 ( -15.859 -6.281 -2.170) 17.195 7.197 ( 0.817 -2.768 -1.427) 3.220 ======================= Grid point 238 (76/288) ======================= q-point: ( 0.50 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 4.846 5.224 -0.974) 7.192 1.585 ( 3.490 5.405 -5.500) 8.465 1.930 ( -1.956 6.439 -5.611) 8.762 2.313 ( 4.210 4.707 -3.358) 7.152 2.707 ( -0.784 2.186 1.302) 2.663 3.010 ( -0.089 -0.636 10.655) 10.674 3.884 ( -21.725 -15.222 -5.766) 27.147 4.066 ( -11.365 13.025 2.584) 17.479 5.852 ( 6.318 -10.886 -2.816) 12.898 6.120 ( -0.265 -3.055 2.482) 3.945 6.395 ( -10.066 1.014 -3.310) 10.645 7.208 ( 3.448 -2.960 -0.213) 4.549 ======================= Grid point 239 (77/288) ======================= q-point: ( 0.57 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 0.827 2.576 -4.353) 5.125 1.691 ( -0.729 9.446 -0.773) 9.506 1.930 ( 0.450 0.689 -5.492) 5.553 2.361 ( -0.832 2.088 -8.592) 8.881 2.727 ( -1.371 -0.455 -3.447) 3.737 3.025 ( -2.604 0.443 10.523) 10.849 3.468 ( -6.415 -4.752 1.125) 8.062 4.022 ( -10.699 14.976 2.752) 18.610 5.854 ( 6.422 -8.542 -0.418) 10.695 6.082 ( -1.896 -2.111 0.745) 2.933 6.321 ( -1.576 3.208 -0.870) 3.678 7.237 ( 3.281 -3.551 0.370) 4.849 ======================= Grid point 240 (78/288) ======================= q-point: (-0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 0.079 0.836 -2.445) 2.585 1.728 ( -4.728 8.730 0.953) 9.974 1.941 ( 3.467 -1.356 -5.756) 6.855 2.290 ( -3.161 -0.329 -11.109) 11.554 2.618 ( -2.438 -2.304 -10.226) 10.762 2.991 ( -6.080 2.174 9.302) 11.323 3.628 ( 15.218 7.165 8.935) 19.046 4.014 ( -9.282 16.506 2.365) 19.084 5.894 ( 7.036 -7.848 2.044) 10.737 6.056 ( 1.382 -2.089 -0.987) 2.692 6.345 ( -0.295 4.948 0.559) 4.988 7.247 ( 2.137 -4.040 1.003) 4.679 ======================= Grid point 241 (79/288) ======================= q-point: (-0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -7.249 -1.905 0.133) 7.496 1.744 ( -0.239 -0.383 3.852) 3.878 1.984 ( 1.750 2.612 -2.861) 4.250 2.260 ( 2.837 1.505 -3.616) 4.836 2.577 ( 2.726 -0.367 -12.190) 12.496 2.911 ( -9.815 3.520 7.340) 12.751 4.023 ( 6.164 12.999 2.453) 14.594 4.052 ( 4.564 11.908 2.291) 12.957 5.948 ( 7.686 -12.241 2.902) 14.743 6.068 ( 4.223 -0.401 -0.756) 4.308 6.446 ( 3.958 9.460 -0.086) 10.255 7.248 ( 2.000 -3.240 2.196) 4.395 ======================= Grid point 242 (80/288) ======================= q-point: (-0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -10.856 -5.015 0.987) 11.999 1.685 ( -3.656 -8.033 6.853) 11.174 2.005 ( -3.544 4.252 0.360) 5.547 2.343 ( 1.855 0.093 5.542) 5.845 2.639 ( 8.546 2.630 -13.548) 16.233 2.743 ( -15.299 1.488 4.134) 15.917 4.067 ( -7.535 14.622 -0.685) 16.463 4.446 ( 19.000 8.759 -0.209) 20.923 5.894 ( 6.373 -18.930 0.646) 19.984 6.262 ( 11.729 7.022 2.794) 13.952 6.645 ( 7.951 8.725 -3.386) 12.280 7.283 ( 3.563 -0.333 3.572) 5.056 ======================= Grid point 243 (81/288) ======================= q-point: (-0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -11.959 -8.657 3.049) 15.075 1.518 ( -8.310 -8.003 6.750) 13.367 1.943 ( -8.224 3.322 2.752) 9.287 2.314 ( -5.899 -2.216 2.282) 6.702 2.388 ( -22.488 -3.039 -2.536) 22.834 2.839 ( 11.045 3.123 -3.656) 12.046 4.051 ( -7.628 9.225 -1.967) 12.131 4.894 ( 20.795 12.287 0.044) 24.153 5.855 ( 11.187 -18.267 0.264) 21.422 6.566 ( 12.567 6.856 4.727) 15.076 6.845 ( 8.524 5.307 -7.051) 12.270 7.388 ( 5.362 2.866 2.972) 6.767 ======================= Grid point 244 (82/288) ======================= q-point: (-0.07 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -12.035 -11.175 6.478) 17.654 1.280 ( -14.658 -4.425 3.955) 15.813 1.796 ( -17.038 -3.770 -6.643) 18.672 1.866 ( -22.490 0.602 8.443) 24.030 2.210 ( -6.110 -2.640 -1.502) 6.824 3.022 ( 7.486 1.907 -0.917) 7.779 3.986 ( -6.398 4.202 -1.984) 7.907 5.391 ( 21.092 12.869 -0.112) 24.709 5.922 ( 15.459 -15.034 -0.594) 21.572 6.801 ( 7.061 0.188 -2.114) 7.373 7.022 ( 8.563 6.488 -0.892) 10.780 7.513 ( 4.453 2.547 0.922) 5.212 ======================= Grid point 248 (83/288) ======================= q-point: ( 0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.000 9.418 7.099) 11.793 1.065 ( -0.000 26.205 -2.817) 26.356 1.492 ( 0.000 24.893 15.908) 29.542 1.826 ( 0.000 3.683 4.623) 5.911 2.083 ( -0.000 8.233 -4.824) 9.543 3.070 ( -0.000 -4.561 -2.469) 5.187 3.845 ( -0.000 1.494 -2.959) 3.315 5.590 ( -0.000 -20.245 -3.311) 20.514 6.215 ( 0.000 -6.673 -0.205) 6.676 6.520 ( -0.000 12.078 -28.354) 30.819 7.244 ( 0.000 -14.976 10.180) 18.109 7.589 ( 0.000 -5.470 3.783) 6.651 ======================= Grid point 249 (84/288) ======================= q-point: ( 0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -3.075 11.170 6.076) 13.082 1.306 ( -0.050 21.295 -0.418) 21.299 1.743 ( -0.273 12.677 0.891) 12.711 2.020 ( 8.298 13.035 2.502) 15.653 2.144 ( 3.735 7.633 -0.299) 8.503 3.013 ( -0.095 -5.383 -0.433) 5.402 3.957 ( 9.779 3.690 -0.710) 10.476 5.376 ( 0.222 -23.653 -1.454) 23.699 5.871 ( -23.093 -3.147 -4.923) 23.821 6.585 ( 1.293 3.356 -14.240) 14.687 7.129 ( 0.843 -16.650 7.259) 18.183 7.533 ( -1.892 -6.665 0.678) 6.962 ======================= Grid point 250 (85/288) ======================= q-point: ( 0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 2.979 12.213 4.327) 13.295 1.462 ( -1.871 12.863 2.242) 13.191 1.871 ( 2.698 11.816 -4.391) 12.891 2.088 ( -1.215 5.694 -9.961) 11.538 2.489 ( 12.485 12.108 5.282) 18.176 2.967 ( 0.697 -5.343 3.856) 6.626 4.199 ( 8.512 9.231 1.961) 12.709 5.066 ( -11.193 -20.059 -1.882) 23.048 5.507 ( -7.650 -8.683 -3.760) 12.167 6.523 ( -5.600 -1.146 -5.967) 8.263 6.974 ( -1.364 -17.027 3.998) 17.544 7.374 ( -8.024 -5.497 -3.322) 10.278 ======================= Grid point 251 (86/288) ======================= q-point: ( 0.43 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 7.007 11.403 1.869) 13.514 1.540 ( -1.389 8.718 2.192) 9.096 2.010 ( -0.386 11.557 -4.541) 12.423 2.124 ( 4.276 3.427 -5.555) 7.803 2.727 ( 3.591 4.982 -0.949) 6.215 2.975 ( 2.066 -1.076 7.846) 8.184 4.370 ( -2.513 7.287 2.287) 8.040 4.624 ( -19.193 -8.004 -2.666) 20.966 5.424 ( 11.357 -13.935 -2.838) 18.199 6.350 ( -9.292 -4.092 -0.685) 10.176 6.760 ( -6.257 -13.494 -0.826) 14.897 7.188 ( -5.263 -3.475 -3.559) 7.242 ======================= Grid point 252 (87/288) ======================= q-point: ( 0.50 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 6.195 7.469 -0.389) 9.712 1.625 ( -0.246 10.755 1.779) 10.904 2.052 ( -3.677 7.965 -4.067) 9.670 2.259 ( 6.659 3.331 1.096) 7.526 2.756 ( -1.177 0.614 -0.120) 1.333 3.030 ( 0.607 1.837 5.617) 5.941 4.051 ( -18.054 -18.267 -4.997) 26.165 4.469 ( -13.561 20.361 1.546) 24.513 5.538 ( 14.597 -11.091 -2.373) 18.486 6.162 ( -6.451 -3.903 2.580) 7.969 6.518 ( -7.810 -6.589 -4.303) 11.087 7.114 ( 1.493 -4.424 -1.249) 4.833 ======================= Grid point 253 (88/288) ======================= q-point: ( 0.57 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 1.050 4.786 -1.484) 5.119 1.758 ( 1.778 10.987 -0.425) 11.138 2.024 ( -6.303 5.629 -1.641) 8.608 2.372 ( 1.476 1.900 -0.534) 2.465 2.742 ( -1.278 0.380 -0.692) 1.502 3.071 ( 0.850 1.260 5.048) 5.271 3.572 ( -14.090 -11.298 -3.659) 18.427 4.445 ( -14.101 22.075 1.710) 26.250 5.633 ( 8.519 -8.897 -1.282) 12.384 6.087 ( -0.875 -2.193 2.265) 3.272 6.363 ( -2.983 -2.391 -3.056) 4.894 7.118 ( 4.361 -5.653 -0.075) 7.140 ======================= Grid point 254 (89/288) ======================= q-point: (-0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -1.757 3.869 -2.656) 5.011 1.866 ( 1.806 2.514 -3.755) 4.867 1.953 ( -8.281 8.932 1.063) 12.226 2.335 ( -4.509 -0.262 -5.099) 6.811 2.634 ( -6.139 -3.466 -8.492) 11.037 3.112 ( -1.087 2.719 5.134) 5.911 3.491 ( 8.727 2.804 7.034) 11.554 4.438 ( -13.744 23.540 1.974) 27.330 5.676 ( 7.251 -8.631 0.566) 11.287 6.048 ( -1.617 -2.036 -0.685) 2.689 6.349 ( 2.499 -0.026 -0.185) 2.506 7.137 ( 4.473 -6.330 0.537) 7.769 ======================= Grid point 255 (90/288) ======================= q-point: (-0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -3.170 0.796 -1.733) 3.699 1.805 ( -4.674 -1.588 -1.652) 5.206 1.980 ( -0.706 6.607 -1.047) 6.727 2.261 ( -1.405 2.264 -2.070) 3.375 2.520 ( -1.049 -1.115 -8.821) 8.952 3.114 ( -5.038 4.884 4.544) 8.360 3.805 ( 17.098 5.266 5.021) 18.582 4.447 ( -13.338 23.697 1.824) 27.254 5.698 ( 5.853 -12.932 1.018) 14.231 6.018 ( 1.568 -0.334 -0.593) 1.709 6.427 ( 5.141 2.354 -0.205) 5.658 7.153 ( 4.247 -5.461 1.260) 7.032 ======================= Grid point 256 (91/288) ======================= q-point: (-0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -9.686 -2.074 0.129) 9.906 1.703 ( -4.443 -4.185 3.524) 7.047 2.039 ( 2.604 3.275 -2.734) 4.998 2.320 ( 2.794 2.200 4.524) 5.755 2.509 ( 3.613 1.711 -9.598) 10.397 3.039 ( -11.582 4.526 3.301) 12.866 4.170 ( 18.104 3.813 0.153) 18.502 4.457 ( -12.262 22.701 1.026) 25.822 5.600 ( 3.329 -20.186 -0.170) 20.460 6.140 ( 9.510 4.420 1.554) 10.602 6.563 ( 7.517 2.810 -2.028) 8.278 7.198 ( 5.423 -2.582 1.799) 6.270 ======================= Grid point 257 (92/288) ======================= q-point: (-0.14 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -14.187 -3.827 1.685) 14.791 1.580 ( -5.591 -4.987 3.456) 8.250 2.075 ( -2.585 2.616 -1.347) 3.917 2.334 ( -1.137 -2.613 -1.912) 3.432 2.659 ( 9.674 4.118 -1.481) 10.618 2.797 ( -19.686 1.029 2.552) 19.877 4.319 ( -8.733 6.943 0.281) 11.160 4.666 ( 16.661 13.162 -1.032) 21.258 5.486 ( 7.770 -17.993 -0.425) 19.604 6.396 ( 13.338 3.450 1.516) 13.860 6.720 ( 8.714 2.224 -2.715) 9.394 7.300 ( 7.034 -0.217 0.748) 7.077 ======================= Grid point 258 (93/288) ======================= q-point: (-0.07 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -14.970 -2.433 2.776) 15.418 1.433 ( -8.082 -3.015 0.773) 8.661 1.960 ( -10.363 -2.014 -3.920) 11.261 2.254 ( -4.542 -2.013 -5.928) 7.734 2.386 ( -25.095 2.135 4.300) 25.550 2.892 ( 9.646 2.117 3.122) 10.357 4.173 ( -10.950 1.204 0.706) 11.038 5.092 ( 22.060 0.104 -0.819) 22.076 5.560 ( 13.051 -0.808 -1.607) 13.174 6.619 ( 10.594 -3.014 -3.435) 11.537 6.912 ( 10.559 4.028 2.220) 11.517 7.418 ( 7.096 -1.621 -1.196) 7.376 ======================= Grid point 263 (94/288) ======================= q-point: ( 0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 0.000 9.110 2.148) 9.360 1.516 ( -0.000 19.488 -1.060) 19.517 1.902 ( 0.000 1.519 0.237) 1.537 2.018 ( -0.000 17.710 -1.736) 17.795 2.223 ( 0.000 11.036 1.495) 11.137 2.954 ( 0.000 -6.549 1.710) 6.768 3.876 ( -0.000 2.655 -0.408) 2.686 5.135 ( 0.000 -23.552 -0.457) 23.556 6.098 ( -0.000 -4.093 -0.399) 4.113 6.490 ( -0.000 0.354 -17.858) 17.862 6.961 ( 0.000 -18.883 7.775) 20.421 7.490 ( 0.000 -5.361 0.514) 5.386 ======================= Grid point 264 (95/288) ======================= q-point: ( 0.36 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.223 10.566 1.496) 10.674 1.654 ( -3.641 11.979 1.414) 12.599 1.893 ( 1.599 4.438 -5.084) 6.936 2.138 ( 0.987 3.840 -10.648) 11.362 2.449 ( 7.217 15.879 5.221) 18.207 2.908 ( 1.073 -5.505 5.701) 7.998 4.042 ( 14.171 4.024 1.578) 14.816 4.880 ( -1.576 -25.048 -0.893) 25.113 5.814 ( -22.576 0.325 -2.953) 22.771 6.500 ( 3.041 -3.908 -8.264) 9.634 6.800 ( 1.101 -19.034 3.952) 19.471 7.410 ( -3.577 -5.050 -1.508) 6.369 ======================= Grid point 265 (96/288) ======================= q-point: ( 0.43 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 3.561 11.046 0.718) 11.628 1.678 ( -2.389 6.879 2.131) 7.588 2.013 ( 6.159 4.749 -2.031) 8.038 2.145 ( -1.002 4.727 -6.881) 8.408 2.665 ( 5.295 0.727 -0.762) 5.399 2.960 ( 3.757 4.019 7.368) 9.196 4.362 ( 9.414 1.897 2.312) 9.878 4.603 ( 3.550 -20.204 -2.763) 20.699 5.439 ( -19.644 2.774 -2.462) 19.991 6.418 ( -4.313 -6.741 -0.648) 8.029 6.646 ( 0.450 -15.323 -1.389) 15.392 7.258 ( -7.175 -3.929 -3.264) 8.808 ======================= Grid point 266 (97/288) ======================= q-point: ( 0.50 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 4.766 7.922 -0.452) 9.256 1.767 ( 0.539 11.101 5.652) 12.468 2.150 ( 1.808 3.680 -0.537) 4.135 2.172 ( 3.949 3.421 -0.490) 5.248 2.703 ( 4.191 -6.022 1.888) 7.576 3.078 ( 0.253 6.247 1.215) 6.369 4.105 ( -12.195 -20.080 -4.494) 23.919 4.817 ( 5.760 13.782 1.564) 15.019 5.238 ( -0.403 -2.083 -2.396) 3.201 6.243 ( -7.092 -7.069 2.626) 10.352 6.496 ( -1.954 -10.396 -4.363) 11.442 7.100 ( -5.032 -3.230 -2.589) 6.515 ======================= Grid point 267 (98/288) ======================= q-point: ( 0.57 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 3.365 4.271 -0.533) 5.463 1.907 ( -1.787 13.227 5.665) 14.499 2.160 ( -3.038 4.693 -0.924) 5.666 2.319 ( 6.756 0.732 4.748) 8.290 2.732 ( 3.550 -3.178 2.349) 5.312 3.090 ( -2.315 1.365 -1.723) 3.192 3.674 ( -13.616 -14.011 -6.027) 20.446 4.905 ( -12.169 20.851 1.372) 24.181 5.367 ( 13.951 -4.740 -1.707) 14.833 6.095 ( -3.163 -4.576 2.831) 6.242 6.352 ( -2.630 -6.815 -4.288) 8.470 7.015 ( 0.179 -4.519 -0.927) 4.617 ======================= Grid point 268 (99/288) ======================= q-point: ( 0.64 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 1.183 0.579 -0.748) 1.514 1.966 ( -6.549 8.535 3.192) 11.222 2.152 ( -4.146 6.639 1.447) 7.960 2.380 ( -1.386 -0.691 -0.417) 1.604 2.704 ( -6.359 -1.123 -5.573) 8.530 3.085 ( 4.777 -2.562 2.499) 5.968 3.443 ( -0.512 -0.907 0.220) 1.065 4.909 ( -12.170 21.669 1.614) 24.905 5.494 ( 6.418 -4.439 -0.708) 7.836 6.049 ( -0.788 -2.262 0.183) 2.402 6.273 ( 2.360 -4.811 -1.519) 5.570 6.997 ( 3.589 -5.984 -0.003) 6.978 ======================= Grid point 269 (100/288) ======================= q-point: (-0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -0.848 -0.289 -0.745) 1.166 1.878 ( -8.503 2.555 -0.573) 8.897 2.132 ( -6.813 4.307 2.345) 8.394 2.309 ( -2.535 0.141 -1.948) 3.200 2.557 ( -6.097 1.770 -6.003) 8.737 3.169 ( 3.620 0.462 1.701) 4.026 3.596 ( 12.702 2.919 3.700) 13.548 4.920 ( -12.503 21.753 1.905) 25.162 5.515 ( 2.972 -8.059 -0.380) 8.598 5.997 ( -1.007 -1.933 -0.972) 2.387 6.323 ( 6.623 -2.094 -0.254) 6.950 7.015 ( 5.067 -5.406 0.401) 7.420 ======================= Grid point 270 (101/288) ======================= q-point: (-0.21 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -5.145 -0.077 -0.486) 5.169 1.781 ( -5.387 -0.462 2.036) 5.777 2.047 ( -3.342 1.320 0.455) 3.622 2.313 ( 1.000 0.359 0.816) 1.340 2.502 ( -1.749 4.035 -3.211) 5.446 3.203 ( -2.393 1.589 0.714) 2.959 3.883 ( 17.010 0.911 -0.064) 17.035 4.912 ( -13.393 19.143 1.593) 23.417 5.404 ( -1.392 -14.788 -1.205) 14.902 6.033 ( 6.116 0.996 0.645) 6.230 6.436 ( 7.755 -0.208 -1.220) 7.853 7.070 ( 6.023 -2.890 0.228) 6.684 ======================= Grid point 271 (102/288) ======================= q-point: (-0.14 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -11.320 -0.212 0.297) 11.326 1.654 ( -6.892 -2.135 1.644) 7.400 2.085 ( 2.779 1.983 1.182) 3.613 2.304 ( -0.209 -2.863 -4.173) 5.065 2.576 ( 4.861 4.708 4.606) 8.186 3.084 ( -11.834 -1.492 -0.591) 11.943 4.201 ( 18.705 -0.177 -1.583) 18.773 4.785 ( -13.189 -0.764 0.509) 13.221 5.297 ( 1.769 0.342 -1.112) 2.117 6.196 ( 11.075 -0.858 0.684) 11.130 6.578 ( 8.734 1.179 -1.261) 8.903 7.164 ( 6.954 -1.223 -1.218) 7.165 ======================= Grid point 272 (103/288) ======================= q-point: (-0.07 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -14.920 2.045 0.533) 15.069 1.534 ( -5.991 -0.301 -1.269) 6.132 2.073 ( -5.870 -2.813 -1.740) 6.738 2.256 ( -0.566 -0.479 -7.671) 7.707 2.731 ( -1.950 0.711 1.480) 2.549 2.817 ( -7.575 -0.338 7.001) 10.320 4.332 ( -7.643 -6.280 1.552) 10.013 4.663 ( 16.867 -12.905 -1.262) 21.275 5.472 ( 7.255 17.494 -1.917) 19.036 6.369 ( 11.898 -5.503 -1.294) 13.173 6.757 ( 10.689 0.823 1.087) 10.776 7.259 ( 6.573 -2.556 -3.431) 7.843 ======================= Grid point 278 (104/288) ======================= q-point: ( 0.36 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -0.000 9.905 0.232) 9.908 1.799 ( -0.000 8.185 -1.353) 8.296 1.868 ( -0.000 -3.100 -5.904) 6.669 2.070 ( -0.000 0.158 -15.695) 15.696 2.572 ( 0.000 10.345 6.469) 12.201 2.883 ( 0.000 0.305 8.769) 8.774 3.937 ( 0.000 2.397 2.506) 3.468 4.650 ( 0.000 -24.386 -0.853) 24.401 6.067 ( -0.000 1.443 -0.525) 1.536 6.348 ( -0.000 -4.941 -10.389) 11.505 6.609 ( 0.000 -18.788 3.689) 19.147 7.396 ( -0.000 -3.612 -1.045) 3.760 ======================= Grid point 279 (105/288) ======================= q-point: ( 0.43 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 1.368 9.782 -0.277) 9.881 1.730 ( -1.931 -1.879 -5.514) 6.137 1.939 ( 6.580 0.986 -2.365) 7.061 2.084 ( 5.673 -1.377 -10.664) 12.157 2.612 ( -0.232 -4.445 6.106) 7.556 2.995 ( 2.272 10.433 7.254) 12.909 4.118 ( 16.323 1.938 2.551) 16.635 4.377 ( -3.171 -23.424 -2.626) 23.783 5.847 ( -20.328 4.158 -2.570) 20.908 6.355 ( 2.626 -7.655 -0.625) 8.117 6.465 ( 2.848 -13.129 -2.290) 13.628 7.321 ( -4.550 -2.682 -1.834) 5.591 ======================= Grid point 280 (106/288) ======================= q-point: ( 0.50 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 2.929 6.369 -0.899) 7.067 1.788 ( 7.479 4.656 1.837) 9.000 2.058 ( 7.194 -1.185 1.358) 7.416 2.148 ( 5.575 -0.170 -6.929) 8.895 2.565 ( 1.836 -9.777 6.901) 12.107 3.143 ( 0.774 8.360 1.992) 8.629 4.059 ( -7.197 -18.819 -4.956) 20.748 4.511 ( 25.006 0.960 1.107) 25.049 5.544 ( -19.475 7.578 -1.986) 20.992 6.246 ( -2.544 -11.029 3.764) 11.928 6.409 ( 0.405 -5.323 -5.382) 7.580 7.183 ( -7.475 -1.834 -2.199) 8.004 ======================= Grid point 281 (107/288) ======================= q-point: ( 0.57 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 3.201 4.395 -0.202) 5.441 2.013 ( 6.679 8.811 5.913) 12.539 2.170 ( 6.242 -2.100 5.328) 8.471 2.231 ( 4.718 2.564 -3.281) 6.293 2.560 ( 7.683 -9.704 5.407) 13.506 3.168 ( -4.499 2.378 -2.269) 5.572 3.730 ( -10.358 -11.632 -6.622) 16.924 4.963 ( 23.972 1.518 0.208) 24.021 5.337 ( -13.554 9.901 -1.075) 16.820 6.106 ( -3.392 -7.616 2.877) 8.819 6.324 ( -2.935 -3.979 -3.986) 6.351 7.035 ( -6.240 -1.856 -1.455) 6.671 ======================= Grid point 282 (108/288) ======================= q-point: ( 0.64 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.580 -0.161 -0.273) 0.661 2.164 ( -1.895 7.470 6.010) 9.774 2.230 ( 0.437 1.460 1.886) 2.425 2.347 ( 4.869 -0.045 1.951) 5.246 2.682 ( 10.043 -1.749 0.582) 10.211 3.033 ( -6.706 -4.686 -2.248) 8.484 3.481 ( -6.488 -2.101 -4.499) 8.170 5.258 ( -7.979 12.023 1.151) 14.476 5.317 ( 13.491 0.207 -1.238) 13.549 6.029 ( 0.394 -2.443 1.445) 2.866 6.212 ( -3.256 -4.828 -2.410) 6.302 6.933 ( -2.231 -2.996 -0.469) 3.764 ======================= Grid point 283 (109/288) ======================= q-point: (-0.29 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 1.000 -1.313 -0.309) 1.679 2.109 ( -10.429 1.825 3.410) 11.123 2.265 ( -2.188 4.168 2.562) 5.359 2.327 ( -3.142 -3.897 -2.264) 5.494 2.714 ( -8.149 5.652 -3.361) 10.471 3.014 ( 10.719 -5.213 1.171) 11.977 3.465 ( 4.977 1.454 -0.067) 5.186 5.258 ( -5.804 10.025 1.623) 11.697 5.432 ( 1.396 -1.568 -1.087) 2.364 6.025 ( -3.707 0.779 -0.519) 3.823 6.167 ( 6.873 -4.420 -0.370) 8.180 6.903 ( 2.303 -2.785 -0.014) 3.614 ======================= Grid point 284 (110/288) ======================= q-point: (-0.21 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 0.359 0.301 -0.145) 0.490 1.923 ( -10.331 -0.253 3.127) 10.796 2.165 ( -7.745 -0.677 0.715) 7.807 2.307 ( -0.270 0.650 0.512) 0.871 2.613 ( -6.777 3.304 1.021) 7.608 3.156 ( 7.286 -1.221 -1.749) 7.592 3.619 ( 12.002 -1.678 -1.466) 12.207 5.213 ( -7.883 -2.795 0.560) 8.383 5.373 ( -4.255 2.055 -0.813) 4.795 5.981 ( -0.018 0.631 0.583) 0.860 6.291 ( 8.369 0.051 -0.889) 8.416 6.954 ( 5.049 -0.277 -0.305) 5.066 ======================= Grid point 285 (111/288) ======================= q-point: (-0.14 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -5.282 0.698 -0.058) 5.328 1.790 ( -8.275 -0.419 2.496) 8.654 2.079 ( -0.755 -0.037 3.936) 4.008 2.283 ( -1.776 -1.238 -1.828) 2.833 2.592 ( -0.009 2.784 5.866) 6.493 3.171 ( -2.755 -3.920 -2.668) 5.484 3.841 ( 18.245 -3.686 -4.317) 19.108 4.891 ( -12.837 -20.057 -0.523) 23.819 5.408 ( -1.773 14.265 -0.686) 14.391 6.037 ( 5.280 -0.860 1.056) 5.452 6.436 ( 8.219 0.703 -1.275) 8.347 7.054 ( 5.355 1.924 -1.378) 5.854 ======================= Grid point 286 (112/288) ======================= q-point: (-0.07 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -10.507 2.051 -0.078) 10.706 1.639 ( -7.187 0.871 -2.738) 7.740 2.091 ( -0.619 -4.362 1.116) 4.545 2.249 ( -0.622 1.863 -1.830) 2.684 2.687 ( 4.692 1.629 7.998) 9.415 2.986 ( -9.900 -6.222 -1.420) 11.779 4.135 ( 21.110 -5.266 -3.488) 22.035 4.450 ( -11.307 -22.669 0.365) 25.335 5.583 ( 2.937 19.123 -1.967) 19.447 6.131 ( 8.110 -4.331 0.621) 9.215 6.572 ( 8.857 -3.006 -1.220) 9.433 7.153 ( 4.123 2.200 -2.639) 5.367 ======================= Grid point 293 (113/288) ======================= q-point: ( 0.43 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -0.000 8.761 -0.509) 8.776 1.718 ( -0.000 -11.252 -12.801) 17.044 1.730 ( -0.000 -5.436 -7.487) 9.252 2.004 ( -0.000 -1.171 -1.586) 1.972 2.572 ( 0.000 -9.339 8.642) 12.724 3.122 ( 0.000 12.418 5.895) 13.746 3.990 ( 0.000 1.134 2.842) 3.060 4.178 ( -0.000 -19.750 -4.074) 20.166 6.138 ( -0.000 5.225 -0.415) 5.242 6.191 ( -0.000 -5.328 -5.366) 7.562 6.300 ( 0.000 -12.789 0.757) 12.811 7.338 ( -0.000 -1.397 -1.310) 1.915 ======================= Grid point 294 (114/288) ======================= q-point: ( 0.50 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.516 -1.331 -2.401) 2.793 1.662 ( 9.300 1.140 -1.792) 9.539 1.806 ( 13.725 -7.212 -8.426) 17.646 2.008 ( 3.609 -5.293 1.107) 6.501 2.491 ( -0.547 -10.200 8.480) 13.276 3.242 ( -0.795 8.898 3.141) 9.470 3.967 ( -3.176 -13.345 -5.812) 14.899 4.150 ( 15.879 0.187 1.408) 15.942 5.909 ( -16.506 2.743 -2.972) 16.995 6.175 ( -0.732 -9.262 3.106) 9.796 6.320 ( 5.265 -0.662 -3.712) 6.476 7.280 ( -5.041 -0.620 -1.310) 5.245 ======================= Grid point 295 (115/288) ======================= q-point: ( 0.57 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 6.983 1.648 0.860) 7.226 1.906 ( 12.679 3.873 4.857) 14.119 1.991 ( 15.708 -3.005 -4.573) 16.633 2.032 ( 7.901 -8.415 -0.117) 11.543 2.424 ( 0.762 -7.762 7.401) 10.753 3.271 ( -4.140 3.549 -0.018) 5.453 3.767 ( -6.478 -5.964 -6.294) 10.824 4.520 ( 25.408 -0.118 -0.102) 25.409 5.658 ( -15.016 4.189 -1.705) 15.682 6.083 ( -1.754 -6.300 2.341) 6.946 6.339 ( -1.253 -0.041 -2.463) 2.763 7.154 ( -8.079 -0.233 -1.066) 8.152 ======================= Grid point 296 (116/288) ======================= q-point: ( 0.64 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 0.572 0.803 0.163) 1.000 2.117 ( 11.575 -7.417 2.980) 14.067 2.159 ( 8.402 2.363 4.121) 9.652 2.250 ( 11.309 4.532 -6.109) 13.629 2.433 ( 8.461 -6.277 6.992) 12.644 3.164 ( -9.410 -0.162 -1.378) 9.512 3.591 ( -8.231 0.236 -4.384) 9.329 4.975 ( 25.201 0.475 -0.849) 25.220 5.477 ( -9.817 3.557 -0.128) 10.442 6.012 ( -1.252 -2.915 1.376) 3.458 6.272 ( -5.541 -0.020 -1.238) 5.677 7.007 ( -7.668 -0.353 -0.470) 7.691 ======================= Grid point 297 (117/288) ======================= q-point: (-0.29 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -0.766 0.062 0.194) 0.792 2.187 ( 1.445 -5.255 -1.288) 5.600 2.269 ( 2.446 -0.682 1.059) 2.751 2.337 ( 1.234 -0.233 -1.433) 1.905 2.681 ( 17.542 -0.243 -0.385) 17.548 2.977 ( -11.872 1.596 1.954) 12.137 3.480 ( -4.668 2.563 -0.569) 5.355 5.318 ( 10.854 0.311 -2.183) 11.076 5.383 ( -2.548 -0.236 2.015) 3.257 6.017 ( 4.195 -1.053 0.088) 4.326 6.156 ( -7.466 1.574 0.222) 7.633 6.902 ( -3.676 0.256 0.024) 3.685 ======================= Grid point 298 (118/288) ======================= q-point: (-0.21 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 1.132 1.764 0.098) 2.098 2.060 ( -6.921 -5.733 -1.527) 9.116 2.231 ( -2.689 -4.400 -0.990) 5.251 2.358 ( -0.688 2.549 0.879) 2.783 2.793 ( -8.518 -2.148 4.061) 9.678 2.961 ( 10.923 4.375 -3.465) 12.267 3.472 ( 1.734 -0.753 0.411) 1.934 5.237 ( -6.450 -11.051 -0.564) 12.808 5.444 ( 1.496 1.983 0.293) 2.502 6.034 ( -2.038 -0.703 0.291) 2.176 6.172 ( 5.205 5.494 0.146) 7.570 6.903 ( 1.959 2.844 -0.005) 3.454 ======================= Grid point 299 (119/288) ======================= q-point: (-0.14 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -0.803 0.930 0.113) 1.234 1.910 ( -5.039 -1.394 1.979) 5.590 2.110 ( -4.527 -5.957 0.336) 7.489 2.343 ( -3.456 1.464 1.704) 4.121 2.675 ( -5.166 1.352 6.174) 8.163 3.116 ( 4.319 -1.010 -3.661) 5.751 3.518 ( 9.307 -5.749 -4.252) 11.737 4.894 ( -12.542 -21.811 -0.692) 25.170 5.513 ( 2.130 7.212 -0.504) 7.537 6.021 ( -0.806 2.085 1.413) 2.645 6.316 ( 6.146 2.418 -1.005) 6.681 7.005 ( 4.348 5.362 -0.555) 6.925 ======================= Grid point 300 (120/288) ======================= q-point: (-0.07 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -4.304 0.050 -0.189) 4.309 1.791 ( -9.650 -0.161 -2.367) 9.937 2.028 ( 1.782 -6.247 1.909) 6.771 2.317 ( -2.715 3.717 4.289) 6.291 2.677 ( 0.311 1.755 7.165) 7.383 3.045 ( -5.522 -6.195 -2.126) 8.567 3.685 ( 19.092 -7.911 -7.191) 21.882 4.428 ( -12.745 -23.940 -0.060) 27.121 5.666 ( 4.921 11.677 -2.055) 12.837 6.044 ( 1.082 0.900 2.067) 2.500 6.412 ( 5.075 -2.523 -1.872) 5.968 7.129 ( 3.253 5.815 -1.086) 6.751 ======================= Grid point 308 (121/288) ======================= q-point: ( 0.50 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -0.000 -18.113 -5.365) 18.891 1.553 ( -0.000 1.842 -2.184) 2.857 1.624 ( -0.000 0.231 -1.275) 1.296 1.929 ( 0.000 -6.419 2.978) 7.076 2.419 ( 0.000 -9.059 6.700) 11.267 3.337 ( 0.000 6.062 1.555) 6.259 3.875 ( -0.000 -6.584 -6.203) 9.046 4.014 ( 0.000 0.064 0.859) 0.861 6.081 ( -0.000 -2.748 -3.352) 4.334 6.120 ( 0.000 -5.695 0.690) 5.737 6.239 ( -0.000 4.323 -0.217) 4.328 7.319 ( -0.000 -0.016 -0.828) 0.828 ======================= Grid point 309 (122/288) ======================= q-point: ( 0.57 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 14.248 -8.398 2.021) 16.662 1.670 ( 12.204 0.392 -1.759) 12.336 1.749 ( 11.440 2.378 1.107) 11.736 1.883 ( 1.129 -6.630 3.925) 7.787 2.368 ( 0.507 -5.373 4.773) 7.205 3.360 ( -2.380 2.031 -0.828) 3.236 3.797 ( -2.912 -0.729 -5.159) 5.968 4.150 ( 15.439 -0.349 -0.512) 15.451 5.921 ( -12.682 1.077 -2.181) 12.913 6.064 ( -1.015 -3.548 1.476) 3.975 6.327 ( 3.095 1.479 -0.910) 3.549 7.272 ( -5.172 0.238 -0.554) 5.207 ======================= Grid point 310 (123/288) ======================= q-point: (-0.36 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 12.850 -1.221 0.327) 12.912 1.839 ( 6.474 -3.623 -3.068) 8.028 1.991 ( 17.487 1.540 0.530) 17.563 2.006 ( 12.462 2.082 6.986) 14.438 2.354 ( 0.750 -2.872 3.602) 4.667 3.292 ( -5.398 -0.380 -2.234) 5.854 3.723 ( -5.879 3.290 -2.655) 7.241 4.514 ( 25.826 -0.048 -1.009) 25.846 5.699 ( -13.309 1.097 -0.298) 13.357 6.020 ( -1.563 -1.313 0.393) 2.079 6.347 ( -1.901 1.103 -0.054) 2.199 7.153 ( -8.306 0.418 -0.154) 8.318 ======================= Grid point 311 (124/288) ======================= q-point: (-0.29 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 0.719 -0.711 0.530) 1.142 1.970 ( 12.238 -3.502 -7.226) 14.638 2.170 ( 6.689 -3.656 0.795) 7.665 2.318 ( 2.858 3.593 -3.797) 5.958 2.385 ( 14.113 -1.315 6.522) 15.602 3.181 ( -7.094 1.920 0.468) 7.364 3.642 ( -8.070 5.643 0.934) 9.891 4.972 ( 25.297 -0.256 -1.174) 25.325 5.489 ( -10.231 -2.754 1.068) 10.649 5.993 ( -1.048 0.853 -0.649) 1.499 6.298 ( -5.373 2.509 1.366) 6.085 7.016 ( -7.723 1.214 0.340) 7.826 ======================= Grid point 312 (125/288) ======================= q-point: (-0.21 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 0.550 0.466 0.357) 0.804 2.027 ( 1.428 -7.082 -7.441) 10.371 2.191 ( 2.094 -4.640 -1.907) 5.436 2.323 ( 2.592 -1.517 -1.025) 3.173 2.647 ( 11.256 -0.748 -2.410) 11.536 3.098 ( -7.303 5.608 3.992) 10.036 3.566 ( -8.274 5.609 4.036) 10.780 5.232 ( -3.586 -10.839 -1.379) 11.500 5.347 ( 8.499 -0.997 1.754) 8.735 6.000 ( 1.033 1.328 -1.412) 2.197 6.259 ( -3.802 6.445 2.319) 7.834 6.944 ( -2.724 3.544 0.641) 4.516 ======================= Grid point 313 (126/288) ======================= q-point: (-0.14 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 1.330 -0.259 0.255) 1.379 1.926 ( -0.665 -5.719 -1.603) 5.976 2.120 ( -4.025 -5.862 -1.619) 7.293 2.359 ( 2.492 -1.329 -1.782) 3.340 2.724 ( 2.335 -2.328 -3.816) 5.044 3.084 ( -1.726 3.553 2.827) 4.858 3.481 ( -7.761 2.751 3.642) 9.003 4.892 ( -12.525 -21.771 -0.137) 25.117 5.507 ( 5.460 4.916 0.704) 7.381 6.034 ( 1.543 0.832 -1.257) 2.157 6.304 ( -0.134 6.100 1.540) 6.293 7.001 ( 2.830 6.173 0.423) 6.804 ======================= Grid point 314 (127/288) ======================= q-point: (-0.07 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -1.197 -2.073 -0.000) 2.393 1.927 ( -6.359 -11.010 -0.001) 12.714 1.927 ( 1.113 1.923 0.001) 2.222 2.377 ( 0.796 1.379 -0.000) 1.593 2.732 ( 0.555 0.961 -0.000) 1.109 3.054 ( -2.831 -4.903 -0.000) 5.661 3.415 ( -0.149 -0.259 -0.000) 0.299 4.418 ( -13.892 -24.061 -0.000) 27.783 5.670 ( 5.345 9.258 -0.000) 10.690 6.055 ( 0.371 0.642 -0.000) 0.742 6.351 ( 0.558 0.966 -0.000) 1.115 7.131 ( 3.774 6.537 -0.000) 7.548 ======================= Grid point 324 (128/288) ======================= q-point: (-0.43 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.000 2.509 8.847) 9.196 1.572 ( 0.000 2.075 3.890) 4.409 1.652 ( 0.000 0.217 0.509) 0.554 1.851 ( 0.000 -1.539 2.757) 3.157 2.336 ( 0.000 -2.203 3.211) 3.894 3.378 ( -0.000 -1.273 -3.207) 3.451 3.822 ( -0.000 3.239 -3.162) 4.527 4.005 ( -0.000 -0.648 -1.774) 1.889 6.042 ( -0.000 -0.154 -1.321) 1.330 6.076 ( 0.000 1.247 0.411) 1.313 6.285 ( -0.000 0.095 -0.061) 0.113 7.320 ( -0.000 0.272 -0.315) 0.416 ======================= Grid point 325 (129/288) ======================= q-point: (-0.36 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 8.843 9.298 5.875) 14.112 1.728 ( 10.706 -2.759 0.217) 11.058 1.752 ( 9.363 5.112 4.250) 11.483 1.891 ( 4.778 4.253 5.269) 8.288 2.340 ( 0.268 0.126 1.941) 1.963 3.319 ( -1.802 -4.043 -5.111) 6.761 3.841 ( -2.786 6.467 -0.613) 7.068 4.134 ( 16.048 -0.410 -2.202) 16.204 5.949 ( -13.315 1.936 0.397) 13.460 6.039 ( -0.991 0.907 -0.853) 1.591 6.342 ( 3.703 0.398 0.664) 3.783 7.277 ( -5.030 0.406 -0.113) 5.047 ======================= Grid point 326 (130/288) ======================= q-point: (-0.29 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 6.428 0.015 1.097) 6.521 1.802 ( 5.172 -0.250 -3.718) 6.375 1.994 ( 9.290 0.520 -0.282) 9.309 2.174 ( 13.983 8.576 7.142) 17.890 2.341 ( -1.129 0.314 -0.089) 1.175 3.237 ( -0.840 -3.443 -3.427) 4.930 3.849 ( -5.940 9.701 2.139) 11.574 4.505 ( 26.095 -0.170 -1.651) 26.148 5.688 ( -15.637 -3.336 1.416) 16.052 6.041 ( -1.438 4.535 -1.985) 5.155 6.387 ( -0.967 2.729 2.363) 3.737 7.168 ( -7.777 1.142 0.332) 7.867 ======================= Grid point 327 (131/288) ======================= q-point: (-0.21 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 3.122 -4.222 0.623) 5.288 1.873 ( 4.971 -4.737 -7.436) 10.122 2.084 ( 4.159 -1.089 -3.205) 5.363 2.298 ( -1.370 -2.891 2.525) 4.076 2.489 ( 10.026 7.493 -1.848) 12.652 3.199 ( -0.900 -2.068 1.037) 2.483 3.839 ( -9.448 12.675 4.450) 16.423 4.944 ( 23.321 -2.309 -1.626) 23.492 5.370 ( -12.990 -9.037 2.112) 15.965 6.059 ( -2.822 6.577 -2.039) 7.442 6.394 ( -3.332 5.755 3.186) 7.374 7.061 ( -6.351 2.938 1.089) 7.082 ======================= Grid point 328 (132/288) ======================= q-point: (-0.14 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 3.391 -4.187 0.296) 5.396 1.819 ( 2.169 -10.004 -3.692) 10.882 2.122 ( -0.271 0.158 -4.830) 4.840 2.270 ( 2.274 -2.846 0.633) 3.697 2.647 ( 3.587 3.106 -5.838) 7.523 3.143 ( -2.668 -4.372 3.235) 6.058 3.793 ( -13.389 13.843 5.901) 20.142 4.890 ( -11.499 -21.084 -0.167) 24.017 5.399 ( 13.323 5.252 1.388) 14.388 6.050 ( -3.126 4.064 -1.819) 5.441 6.418 ( -3.305 7.509 2.545) 8.590 7.040 ( -0.834 5.060 1.528) 5.351 ======================= Grid point 339 (133/288) ======================= q-point: (-0.36 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 0.000 21.901 11.453) 24.715 1.581 ( 0.000 -4.840 0.269) 4.847 1.721 ( 0.000 5.294 8.728) 10.208 1.918 ( 0.000 6.315 2.493) 6.789 2.357 ( 0.000 2.585 0.471) 2.628 3.253 ( -0.000 -7.885 -7.382) 10.801 3.949 ( 0.000 10.104 1.374) 10.197 3.970 ( -0.000 -0.954 -3.607) 3.731 6.065 ( -0.000 4.242 -2.459) 4.903 6.170 ( 0.000 6.574 3.215) 7.318 6.242 ( 0.000 -4.101 0.119) 4.103 7.325 ( -0.000 0.513 -0.323) 0.606 ======================= Grid point 340 (134/288) ======================= q-point: (-0.29 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -0.288 -3.065 1.884) 3.609 1.714 ( 1.938 4.899 4.253) 6.771 1.907 ( 6.263 5.442 1.610) 8.452 2.097 ( 9.140 11.454 9.622) 17.530 2.379 ( -1.133 3.600 -2.236) 4.387 3.142 ( 1.409 -9.595 -7.242) 12.103 4.049 ( -2.150 13.727 2.543) 14.125 4.109 ( 16.498 -0.299 -2.717) 16.723 5.955 ( -17.260 -2.772 1.866) 17.580 6.114 ( -0.595 8.165 -3.245) 8.806 6.391 ( 5.716 4.227 3.477) 7.914 7.290 ( -4.517 1.243 -0.315) 4.695 ======================= Grid point 341 (135/288) ======================= q-point: (-0.21 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 2.655 -7.580 0.596) 8.054 1.754 ( 0.737 -3.284 -1.945) 3.888 2.022 ( 3.675 2.387 -1.004) 4.496 2.303 ( -0.005 -1.931 8.031) 8.259 2.448 ( 5.157 12.660 -4.876) 14.514 3.097 ( 5.383 -9.138 -2.858) 10.984 4.140 ( -6.300 16.896 3.268) 18.326 4.484 ( 25.679 -0.641 -1.664) 25.741 5.580 ( -19.704 -7.375 1.735) 21.110 6.184 ( -1.913 10.852 -2.923) 11.401 6.502 ( -0.376 6.625 4.354) 7.936 7.211 ( -6.537 3.040 0.522) 7.228 ======================= Grid point 342 (136/288) ======================= q-point: (-0.14 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 5.110 -9.230 -0.199) 10.552 1.678 ( 0.454 -8.747 -3.385) 9.390 2.101 ( 2.637 2.653 -2.284) 4.383 2.258 ( -2.275 -3.467 5.340) 6.761 2.626 ( 3.287 8.359 -5.636) 10.604 3.077 ( 3.058 -10.765 0.722) 11.214 4.179 ( -10.237 17.058 3.021) 20.122 4.792 ( 5.614 -12.538 -0.999) 13.774 5.282 ( -0.390 1.862 1.982) 2.748 6.206 ( -6.803 8.560 -1.354) 11.017 6.561 ( -2.538 8.857 2.472) 9.540 7.147 ( -5.192 4.580 2.171) 7.256 ======================= Grid point 354 (137/288) ======================= q-point: (-0.29 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 0.000 -8.983 -0.195) 8.985 1.847 ( 0.000 4.275 0.638) 4.322 1.877 ( 0.000 3.939 7.061) 8.085 2.172 ( 0.000 12.422 15.268) 19.683 2.426 ( -0.000 6.043 -5.795) 8.372 2.980 ( -0.000 -13.784 -9.122) 16.529 3.931 ( -0.000 -0.641 -3.115) 3.180 4.244 ( 0.000 17.858 2.604) 18.047 6.145 ( 0.000 -5.027 0.309) 5.036 6.200 ( -0.000 11.122 -2.644) 11.432 6.363 ( 0.000 9.667 5.402) 11.074 7.341 ( -0.000 1.709 -1.114) 2.040 ======================= Grid point 355 (138/288) ======================= q-point: (-0.21 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 1.359 -10.784 -0.569) 10.884 1.774 ( -5.441 -3.500 -1.708) 6.691 1.976 ( 4.108 0.969 2.537) 4.924 2.322 ( 0.239 -0.337 12.202) 12.209 2.503 ( 2.492 12.131 -4.054) 13.031 2.855 ( 5.402 -13.662 -7.252) 16.384 4.076 ( 16.795 -1.184 -1.597) 16.913 4.424 ( -2.257 21.132 2.050) 21.351 5.885 ( -19.894 -4.022 1.401) 20.345 6.319 ( -0.548 13.916 -3.056) 14.258 6.557 ( 4.667 8.834 5.642) 11.474 7.330 ( -3.277 3.278 -1.076) 4.758 ======================= Grid point 356 (139/288) ======================= q-point: (-0.14 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 3.488 -13.320 -1.857) 13.893 1.615 ( -3.265 -7.934 -3.941) 9.441 2.057 ( 4.043 -1.014 2.273) 4.747 2.288 ( -2.752 -3.683 7.128) 8.482 2.661 ( 3.127 7.615 -1.099) 8.305 2.832 ( 7.954 -12.556 -5.123) 15.722 4.326 ( 10.564 -3.889 -1.243) 11.325 4.651 ( 3.133 20.922 2.043) 21.253 5.477 ( -19.661 -2.323 1.443) 19.850 6.409 ( -4.631 12.112 -1.267) 13.028 6.693 ( -0.724 9.801 3.067) 10.295 7.300 ( -5.139 5.276 0.876) 7.417 ======================= Grid point 369 (140/288) ======================= q-point: (-0.21 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -0.000 -10.826 -0.937) 10.867 1.773 ( -0.000 -9.215 -4.316) 10.175 1.929 ( 0.000 -1.245 0.242) 1.268 2.337 ( 0.000 -4.049 9.197) 10.049 2.481 ( -0.000 -12.390 -1.697) 12.506 2.736 ( -0.000 6.809 -4.713) 8.281 3.912 ( 0.000 -0.299 0.131) 0.327 4.665 ( -0.000 22.483 0.615) 22.491 6.076 ( 0.000 -1.432 0.333) 1.470 6.464 ( -0.000 15.437 -1.398) 15.500 6.608 ( 0.000 10.840 6.267) 12.521 7.384 ( -0.000 3.707 -2.372) 4.401 ======================= Grid point 370 (141/288) ======================= q-point: (-0.14 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -1.068 -13.207 -2.858) 13.554 1.579 ( -4.738 -11.662 -6.108) 13.991 1.952 ( 4.636 -4.955 0.786) 6.830 2.302 ( -0.598 -5.973 4.672) 7.606 2.382 ( 10.320 -21.445 -1.252) 23.832 2.828 ( -1.085 11.419 -1.262) 11.540 4.037 ( 12.766 -2.576 0.999) 13.062 4.893 ( -0.239 24.520 0.369) 24.524 5.852 ( -21.578 0.482 0.965) 21.605 6.594 ( -2.234 13.417 -0.664) 13.618 6.788 ( 3.126 10.677 4.454) 11.984 7.410 ( -1.294 5.421 -1.602) 5.799 ======================= Grid point 384 (142/288) ======================= q-point: (-0.14 -0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -0.000 -12.172 -3.642) 12.705 1.454 ( -0.000 -17.805 -9.056) 19.976 1.846 ( -0.000 -4.527 -5.147) 6.855 2.001 ( 0.000 -28.310 3.078) 28.477 2.275 ( 0.000 -6.660 1.172) 6.762 2.951 ( 0.000 9.611 1.938) 9.804 3.913 ( 0.000 -0.900 3.217) 3.340 5.135 ( -0.000 24.264 -0.522) 24.269 6.104 ( 0.000 3.993 0.210) 3.999 6.738 ( -0.000 11.730 -3.264) 12.176 6.866 ( 0.000 10.390 8.310) 13.305 7.460 ( -0.000 5.228 -2.452) 5.775 ======================= Grid point 431 (143/288) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 0.000 -0.000 19.855) 19.855 0.405 ( 0.000 -0.000 19.855) 19.855 0.671 ( 0.000 -0.000 34.969) 34.969 1.703 ( 0.000 -0.000 2.393) 2.393 1.703 ( 0.000 -0.000 2.393) 2.393 3.538 ( -0.000 0.000 -8.061) 8.061 3.858 ( -0.000 0.000 -1.714) 1.714 3.858 ( -0.000 0.000 -1.714) 1.714 6.388 ( 0.000 -0.000 0.041) 0.041 6.388 ( 0.000 -0.000 0.041) 0.041 7.543 ( 0.000 -0.000 1.894) 1.894 7.787 ( -0.000 0.000 -0.680) 0.680 ======================= Grid point 432 (144/288) ======================= q-point: ( 0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 3.055 1.764 14.903) 15.314 0.544 ( 5.631 3.251 18.059) 19.194 1.166 ( 24.271 14.013 19.897) 34.371 1.675 ( -1.296 -0.748 1.047) 1.826 1.912 ( 6.835 3.946 -3.085) 8.474 3.154 ( -3.676 -2.122 -3.397) 5.436 3.904 ( 2.680 1.547 -0.603) 3.152 5.581 ( 44.639 25.772 -55.132) 75.474 6.125 ( -17.069 -9.855 0.146) 19.710 6.340 ( -4.073 -2.352 0.035) 4.704 7.497 ( -4.118 -2.377 3.288) 5.781 7.790 ( -0.756 -0.437 5.888) 5.953 ======================= Grid point 433 (145/288) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 10.731 6.196 5.516) 13.564 0.806 ( 12.514 7.225 6.473) 15.833 1.654 ( -0.388 -0.224 -0.502) 0.672 1.708 ( 17.089 9.866 1.846) 19.819 2.102 ( 11.165 6.446 5.292) 13.937 3.091 ( -1.582 -0.913 -3.425) 3.882 3.970 ( 2.827 1.632 0.281) 3.277 5.561 ( -19.382 -11.190 -5.587) 23.067 6.138 ( 11.761 6.790 -24.588) 28.089 6.219 ( -5.857 -3.382 -0.133) 6.765 7.389 ( -5.940 -3.430 4.032) 7.957 7.690 ( -10.199 -5.888 4.786) 12.712 ======================= Grid point 434 (146/288) ======================= q-point: ( 0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 12.549 7.245 0.986) 14.523 1.116 ( 12.913 7.455 -0.967) 14.942 1.662 ( 1.555 0.898 -2.650) 3.201 1.951 ( 7.664 4.425 -10.588) 13.800 2.439 ( 12.656 7.307 10.605) 18.057 3.054 ( -1.138 -0.657 0.267) 1.341 4.022 ( 1.127 0.651 1.157) 1.741 5.098 ( -19.202 -11.086 -0.858) 22.189 6.100 ( -3.678 -2.124 -0.385) 4.265 6.228 ( 1.807 1.043 -14.739) 14.886 7.252 ( -9.222 -5.324 6.212) 12.328 7.369 ( -14.769 -8.527 -2.282) 17.206 ======================= Grid point 435 (147/288) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 11.381 6.571 -0.547) 13.153 1.370 ( 9.538 5.507 -5.826) 12.460 1.710 ( 3.591 2.073 -5.306) 6.734 2.077 ( 6.514 3.761 -8.119) 11.067 2.659 ( 3.900 2.252 5.581) 7.172 3.044 ( -0.483 -0.279 5.433) 5.462 4.019 ( -1.833 -1.058 2.200) 3.053 4.662 ( -19.120 -11.039 -0.584) 22.086 6.068 ( 1.147 0.662 -0.525) 1.425 6.153 ( -4.664 -2.693 -7.477) 9.215 6.842 ( -20.749 -11.980 -0.296) 23.961 7.230 ( -1.424 -0.822 -0.288) 1.669 ======================= Grid point 436 (148/288) ======================= q-point: ( 0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 8.665 5.003 -0.611) 10.024 1.509 ( 4.350 2.511 -7.871) 9.337 1.786 ( 4.497 2.597 -7.769) 9.345 2.204 ( 5.873 3.391 -5.760) 8.898 2.696 ( -0.232 -0.134 3.602) 3.612 3.061 ( -0.240 -0.139 9.388) 9.392 3.961 ( -3.496 -2.019 3.296) 5.212 4.167 ( -23.600 -13.626 -3.992) 27.542 6.011 ( -4.993 -2.883 -2.528) 6.296 6.137 ( 4.346 2.509 -0.407) 5.034 6.426 ( -14.115 -8.149 -2.253) 16.454 7.232 ( 1.141 0.659 0.375) 1.370 ======================= Grid point 437 (149/288) ======================= q-point: ( 0.57 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 1.022 0.590 -7.378) 7.471 1.563 ( 4.814 2.779 -0.123) 5.560 1.862 ( 4.244 2.450 -9.051) 10.292 2.275 ( 2.054 1.186 -10.711) 10.970 2.722 ( 0.713 0.411 1.483) 1.696 3.080 ( -1.313 -0.758 11.836) 11.933 3.624 ( -18.164 -10.487 -2.552) 21.129 3.895 ( -2.951 -1.704 4.107) 5.337 5.949 ( 0.138 0.080 -0.041) 0.165 6.172 ( -7.813 -4.511 -1.105) 9.090 6.235 ( 3.605 2.082 -0.132) 4.165 7.267 ( 1.437 0.830 0.606) 1.767 ======================= Grid point 438 (150/288) ======================= q-point: (-0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 3.615 2.087 -5.645) 7.021 1.622 ( 0.193 0.111 0.300) 0.373 1.922 ( 3.301 1.906 -8.337) 9.166 2.235 ( -1.435 -0.829 -16.798) 16.879 2.635 ( -5.313 -3.067 -10.029) 11.756 3.049 ( -4.585 -2.647 13.086) 14.117 3.534 ( 8.421 4.862 9.406) 13.529 3.858 ( -1.316 -0.760 4.128) 4.399 5.988 ( 0.734 0.424 0.823) 1.182 6.070 ( 1.136 0.656 0.495) 1.402 6.281 ( 0.151 0.087 0.091) 0.197 7.291 ( 0.349 0.202 0.857) 0.947 ======================= Grid point 439 (151/288) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -4.375 -2.526 0.441) 5.071 1.686 ( 7.251 4.186 -0.212) 8.375 1.959 ( 1.654 0.955 -5.473) 5.797 2.183 ( 3.236 1.868 -13.902) 14.396 2.540 ( -0.150 -0.086 -11.651) 11.652 2.957 ( -6.947 -4.011 12.398) 14.767 3.860 ( 0.442 0.255 2.979) 3.022 3.875 ( 16.295 9.408 6.209) 19.814 5.998 ( 2.221 1.282 2.084) 3.304 6.213 ( 8.854 5.112 0.142) 10.224 6.242 ( -3.347 -1.933 0.137) 3.868 7.292 ( -0.335 -0.193 1.623) 1.668 ======================= Grid point 440 (152/288) ======================= q-point: (-0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -7.940 -4.584 0.525) 9.183 1.802 ( 0.435 0.251 5.000) 5.025 1.960 ( -0.742 -0.429 -1.254) 1.519 2.315 ( 7.621 4.400 0.880) 8.844 2.532 ( 3.720 2.148 -16.519) 17.069 2.801 ( -9.645 -5.569 9.200) 14.446 3.891 ( 1.503 0.868 0.820) 1.920 4.267 ( 16.641 9.608 0.292) 19.218 6.141 ( 9.474 5.470 3.451) 11.471 6.148 ( -4.218 -2.435 0.022) 4.870 6.442 ( 10.858 6.269 -2.636) 12.812 7.300 ( 0.704 0.406 2.985) 3.093 ======================= Grid point 441 (153/288) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -9.918 -5.726 1.219) 11.517 1.717 ( -9.114 -5.262 7.591) 12.976 1.917 ( -3.047 -1.759 2.800) 4.497 2.368 ( -3.254 -1.879 2.060) 4.285 2.488 ( -14.279 -8.244 -2.177) 16.632 2.732 ( 9.922 5.729 -4.453) 12.292 3.920 ( 0.861 0.497 -1.561) 1.851 4.669 ( 18.809 10.859 -0.319) 21.721 6.078 ( -1.222 -0.706 -0.130) 1.417 6.430 ( 13.335 7.699 5.184) 16.248 6.678 ( 10.493 6.058 -7.856) 14.441 7.355 ( 3.186 1.839 3.812) 5.297 ======================= Grid point 446 (154/288) ======================= q-point: ( 0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 0.000 17.900 8.359) 19.755 0.689 ( 0.000 8.696 12.465) 15.199 1.125 ( 0.000 18.298 25.842) 31.664 1.772 ( 0.000 3.023 4.302) 5.258 1.893 ( -0.000 9.314 -5.225) 10.680 3.143 ( -0.000 -5.383 -3.474) 6.407 3.822 ( -0.000 -0.268 -2.795) 2.807 5.477 ( -0.000 53.132 -45.237) 69.782 6.218 ( -0.000 -7.254 -6.408) 9.679 6.337 ( 0.000 -4.838 -0.040) 4.838 7.493 ( 0.000 -6.818 4.245) 8.032 7.731 ( 0.000 -6.006 5.876) 8.403 ======================= Grid point 447 (155/288) ======================= q-point: ( 0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -5.101 13.130 8.929) 16.678 0.854 ( 3.422 18.899 6.731) 20.351 1.514 ( 11.086 11.261 9.644) 18.512 1.800 ( -2.032 10.024 2.593) 10.551 2.008 ( 6.697 6.197 0.288) 9.129 3.079 ( -0.717 -2.501 -4.326) 5.048 3.903 ( 7.156 1.055 -1.274) 7.345 5.757 ( 10.391 -1.034 -19.289) 21.934 5.854 ( -23.850 -5.937 -6.085) 25.320 6.383 ( 0.518 8.339 -9.136) 12.380 7.412 ( -1.988 -8.778 4.906) 10.251 7.705 ( 0.246 -9.178 4.268) 10.125 ======================= Grid point 448 (156/288) ======================= q-point: ( 0.36 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 3.548 10.433 7.142) 13.132 1.129 ( 3.767 18.826 1.972) 19.300 1.672 ( 1.039 5.182 -0.441) 5.304 1.902 ( 1.429 9.629 -9.658) 13.712 2.314 ( 14.677 8.533 10.358) 19.888 3.043 ( 0.219 -2.005 -1.851) 2.738 4.040 ( 3.872 6.144 0.500) 7.280 5.351 ( -22.553 -9.760 -1.964) 24.652 5.775 ( 9.619 -17.529 -7.930) 21.510 6.410 ( -5.262 10.178 -9.150) 14.663 7.285 ( -3.190 -10.391 4.989) 11.960 7.518 ( -10.934 -10.467 -0.393) 15.142 ======================= Grid point 449 (157/288) ======================= q-point: ( 0.43 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 8.859 9.070 3.169) 13.069 1.345 ( 2.597 12.116 -0.310) 12.395 1.746 ( -0.390 10.159 -3.476) 10.744 1.999 ( 4.871 6.194 -9.463) 12.314 2.618 ( 7.788 5.311 5.662) 10.997 3.038 ( 1.198 -1.660 2.810) 3.476 4.137 ( -3.176 10.315 1.533) 10.901 4.873 ( -19.789 -12.205 -0.763) 23.263 5.754 ( 12.101 -18.749 -4.099) 22.688 6.343 ( -8.504 5.044 -4.702) 10.949 7.051 ( -14.506 -14.952 2.093) 20.938 7.247 ( -5.459 -3.521 -2.394) 6.923 ======================= Grid point 450 (158/288) ======================= q-point: ( 0.50 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 9.087 8.358 0.591) 12.360 1.465 ( 1.567 6.250 -2.101) 6.778 1.827 ( -1.523 11.511 -6.256) 13.189 2.141 ( 6.076 6.566 -4.862) 10.182 2.719 ( -0.108 1.531 2.009) 2.528 3.065 ( 1.591 -1.187 6.817) 7.100 4.142 ( -9.193 11.707 2.155) 15.040 4.389 ( -20.354 -15.758 -2.615) 25.873 5.796 ( 12.456 -14.782 -2.946) 19.553 6.214 ( -7.493 0.676 0.315) 7.530 6.635 ( -16.680 -7.376 -3.415) 18.555 7.191 ( 1.553 -3.256 0.165) 3.611 ======================= Grid point 451 (159/288) ======================= q-point: ( 0.57 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 2.294 3.774 -3.019) 5.350 1.549 ( 3.937 8.509 -1.952) 9.577 1.874 ( -2.468 8.475 -6.232) 10.805 2.265 ( 1.501 6.243 -6.513) 9.146 2.724 ( -0.046 0.680 1.899) 2.017 3.103 ( 1.190 -1.205 9.034) 9.191 3.837 ( -21.596 -15.467 -4.074) 26.874 4.092 ( -10.822 12.533 2.938) 16.818 5.831 ( 7.140 -10.670 -1.507) 12.926 6.144 ( -0.865 -2.410 2.641) 3.678 6.362 ( -9.046 0.847 -3.632) 9.785 7.210 ( 3.682 -3.178 0.613) 4.903 ======================= Grid point 452 (160/288) ======================= q-point: ( 0.64 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 0.094 3.702 -6.550) 7.524 1.686 ( 0.468 9.455 -0.375) 9.474 1.875 ( -1.285 2.781 -5.961) 6.702 2.262 ( -4.021 4.259 -12.089) 13.433 2.675 ( -5.760 -3.259 -7.482) 9.989 3.125 ( -1.595 -1.412 10.480) 10.694 3.505 ( -1.012 -2.252 6.296) 6.762 4.052 ( -10.318 14.209 3.552) 17.916 5.855 ( 7.240 -8.309 0.484) 11.031 6.088 ( -2.751 -2.303 0.387) 3.609 6.315 ( -0.474 3.326 -0.555) 3.406 7.242 ( 3.432 -3.616 0.721) 5.037 ======================= Grid point 453 (161/288) ======================= q-point: (-0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 2.650 1.898 -5.444) 6.345 1.733 ( -5.388 9.061 0.142) 10.543 1.880 ( 3.749 -0.128 -6.634) 7.621 2.180 ( -3.463 4.311 -12.150) 13.349 2.522 ( -2.917 -1.734 -9.912) 10.477 3.085 ( -5.317 -0.596 10.341) 11.643 3.709 ( 14.050 5.981 8.064) 17.269 4.042 ( -9.400 15.706 3.423) 18.621 5.913 ( 7.930 -7.573 2.119) 11.168 6.047 ( 1.023 -2.678 -0.911) 3.008 6.349 ( -0.175 4.964 0.241) 4.973 7.257 ( 2.473 -3.930 1.094) 4.770 ======================= Grid point 454 (162/288) ======================= q-point: (-0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -6.510 -1.994 -0.143) 6.810 1.766 ( 2.512 0.567 0.626) 2.651 1.950 ( 3.069 3.554 -3.882) 6.092 2.227 ( 5.957 7.353 -3.749) 10.178 2.466 ( 0.460 -0.437 -10.960) 10.978 2.988 ( -9.818 0.700 8.716) 13.147 4.044 ( 0.747 13.474 2.198) 13.672 4.072 ( 7.162 9.430 1.724) 11.966 5.967 ( 7.295 -14.829 1.080) 16.562 6.068 ( 5.306 2.077 1.005) 5.786 6.439 ( 3.213 8.812 -1.475) 9.495 7.268 ( 2.607 -3.049 1.969) 4.469 ======================= Grid point 455 (163/288) ======================= q-point: (-0.14 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -10.409 -4.598 0.821) 11.409 1.741 ( -2.295 -7.891 5.012) 9.625 1.997 ( -1.559 3.947 -1.803) 4.611 2.383 ( 0.035 -1.705 1.249) 2.114 2.521 ( 10.303 7.762 -9.770) 16.182 2.792 ( -15.474 -0.521 6.170) 16.667 4.066 ( -8.578 14.366 0.503) 16.740 4.439 ( 18.929 8.635 -1.203) 20.840 5.895 ( 6.372 -19.041 -0.507) 20.085 6.290 ( 12.460 6.764 3.116) 14.515 6.606 ( 6.374 8.448 -4.804) 11.623 7.313 ( 4.111 -0.620 2.572) 4.889 ======================= Grid point 461 (164/288) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.000 7.074 5.152) 8.751 1.047 ( -0.000 24.936 -0.172) 24.937 1.640 ( 0.000 19.582 13.998) 24.070 1.861 ( 0.000 2.887 2.707) 3.958 2.040 ( -0.000 8.524 -3.179) 9.097 3.044 ( -0.000 -3.139 -3.184) 4.471 3.823 ( -0.000 1.960 -1.561) 2.505 5.549 ( -0.000 -15.409 -5.597) 16.395 6.213 ( 0.000 -6.762 -0.187) 6.764 6.265 ( -0.000 15.278 -25.436) 29.672 7.326 ( 0.000 -13.763 7.652) 15.747 7.623 ( 0.000 -7.493 3.235) 8.162 ======================= Grid point 462 (165/288) ======================= q-point: ( 0.36 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -1.793 9.017 4.085) 10.060 1.305 ( 1.191 21.672 0.642) 21.714 1.749 ( -3.027 8.572 -0.604) 9.111 1.989 ( -0.063 8.030 -6.290) 10.200 2.194 ( 10.918 10.682 8.660) 17.559 3.007 ( 0.295 -2.997 -1.035) 3.184 3.956 ( 10.630 4.374 0.488) 11.506 5.360 ( 0.402 -22.749 -1.927) 22.834 5.815 ( -23.948 -0.223 -6.897) 24.922 6.462 ( 5.035 4.654 -11.628) 13.499 7.194 ( -0.398 -16.811 6.680) 18.094 7.534 ( -3.150 -8.214 -0.358) 8.805 ======================= Grid point 463 (166/288) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 3.114 10.540 3.118) 11.424 1.484 ( -1.890 13.950 2.521) 14.301 1.834 ( 3.146 10.364 -3.841) 11.492 2.004 ( -1.843 7.049 -7.535) 10.482 2.530 ( 11.052 8.232 3.504) 14.220 2.999 ( 1.741 -2.268 2.942) 4.102 4.219 ( 8.921 9.861 2.208) 13.480 5.048 ( -11.449 -20.621 -1.899) 23.663 5.470 ( -7.247 -7.344 -3.883) 11.024 6.469 ( -3.574 0.769 -5.450) 6.563 7.013 ( -2.319 -18.867 4.265) 19.482 7.340 ( -9.019 -5.747 -4.029) 11.428 ======================= Grid point 464 (167/288) ======================= q-point: ( 0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 6.532 10.231 1.159) 12.194 1.570 ( -2.229 10.264 4.048) 11.257 1.969 ( -1.775 11.965 -3.992) 12.738 2.080 ( 6.459 6.327 -3.811) 9.812 2.716 ( 3.795 2.894 -1.479) 4.997 3.039 ( 2.293 -0.424 5.932) 6.374 4.390 ( -3.414 5.367 1.954) 6.655 4.599 ( -18.797 -7.063 -2.619) 20.251 5.399 ( 11.376 -13.484 -2.323) 17.794 6.346 ( -7.828 -2.386 -0.258) 8.188 6.747 ( -8.468 -15.011 -1.776) 17.326 7.160 ( -3.875 -3.660 -2.384) 5.839 ======================= Grid point 465 (168/288) ======================= q-point: ( 0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 5.694 7.081 -0.725) 9.115 1.654 ( -2.522 12.518 4.522) 13.546 2.012 ( -3.447 9.387 -4.129) 10.819 2.261 ( 5.749 6.429 -0.936) 8.675 2.749 ( -0.563 1.048 -1.075) 1.603 3.084 ( 1.621 -0.889 5.575) 5.873 4.007 ( -18.790 -19.240 -4.288) 27.233 4.485 ( -13.234 20.172 1.723) 24.187 5.519 ( 14.670 -10.848 -1.681) 18.323 6.190 ( -5.917 -3.483 3.311) 7.623 6.474 ( -7.896 -6.672 -5.167) 11.557 7.108 ( 2.321 -4.784 -0.200) 5.321 ======================= Grid point 466 (169/288) ======================= q-point: ( 0.64 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -0.044 5.504 -1.445) 5.690 1.763 ( -0.663 11.910 1.515) 12.024 2.007 ( -6.041 7.438 -1.889) 9.767 2.344 ( -2.163 4.561 -5.518) 7.479 2.718 ( -3.992 -1.131 -4.381) 6.034 3.127 ( 2.668 -1.428 6.360) 7.043 3.557 ( -10.068 -10.052 0.576) 14.238 4.463 ( -13.772 21.684 2.133) 25.776 5.624 ( 9.188 -8.740 -0.471) 12.690 6.106 ( -2.121 -2.940 1.748) 4.024 6.335 ( -1.416 -1.825 -2.706) 3.558 7.120 ( 4.651 -5.845 0.403) 7.480 ======================= Grid point 467 (170/288) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -3.340 5.693 -3.151) 7.314 1.835 ( -0.762 1.939 -2.669) 3.386 1.963 ( -7.402 11.164 1.117) 13.441 2.272 ( -5.849 2.848 -8.119) 10.404 2.551 ( -6.571 -2.715 -8.940) 11.422 3.163 ( -0.250 0.076 5.762) 5.768 3.562 ( 10.100 1.875 7.686) 12.829 4.459 ( -13.518 23.117 2.399) 26.887 5.682 ( 7.919 -8.811 0.708) 11.868 6.041 ( -2.020 -2.505 -0.876) 3.335 6.347 ( 2.998 0.072 -0.128) 3.002 7.142 ( 4.723 -6.382 0.581) 7.960 ======================= Grid point 468 (171/288) ======================= q-point: (-0.21 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -2.397 2.256 -2.620) 4.207 1.786 ( -2.604 -0.161 -1.684) 3.105 1.981 ( -3.230 7.106 0.844) 7.852 2.242 ( 0.457 6.652 -1.950) 6.948 2.439 ( -2.027 -0.678 -8.312) 8.582 3.157 ( -4.220 2.530 4.702) 6.806 3.842 ( 15.323 3.391 2.875) 15.955 4.466 ( -13.434 23.307 2.208) 26.992 5.703 ( 5.772 -13.871 0.059) 15.024 6.017 ( 2.450 0.190 0.423) 2.494 6.421 ( 4.644 1.904 -1.120) 5.143 7.163 ( 4.663 -5.560 0.863) 7.308 ======================= Grid point 469 (172/288) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -8.855 -1.835 -0.140) 9.044 1.732 ( -3.172 -3.395 2.711) 5.379 2.021 ( 1.794 3.914 -0.960) 4.411 2.351 ( 1.513 -1.642 0.196) 2.241 2.435 ( 5.213 8.793 -4.370) 11.117 3.069 ( -11.306 2.418 3.117) 11.975 4.163 ( 17.595 3.294 -1.639) 17.976 4.469 ( -12.898 22.366 1.477) 25.860 5.594 ( 3.434 -20.533 -1.118) 20.848 6.159 ( 10.007 4.133 2.353) 11.080 6.538 ( 6.734 2.882 -3.332) 8.047 7.210 ( 5.800 -3.301 0.688) 6.709 ======================= Grid point 476 (173/288) ======================= q-point: ( 0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.000 8.112 1.206) 8.201 1.504 ( -0.000 20.031 -1.096) 20.061 1.889 ( -0.000 -0.460 -2.981) 3.017 1.947 ( -0.000 7.815 -12.046) 14.359 2.288 ( 0.000 15.609 10.756) 18.956 2.971 ( 0.000 -3.611 1.807) 4.037 3.881 ( 0.000 3.576 1.416) 3.846 5.129 ( 0.000 -22.833 -0.833) 22.848 6.094 ( -0.000 -4.188 -0.387) 4.206 6.326 ( -0.000 4.150 -16.966) 17.467 7.031 ( 0.000 -20.131 7.238) 21.393 7.489 ( -0.000 -6.191 -0.796) 6.242 ======================= Grid point 477 (174/288) ======================= q-point: ( 0.43 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 0.660 9.728 0.678) 9.774 1.655 ( -2.557 10.588 -1.247) 10.963 1.839 ( 1.952 5.377 -6.425) 8.602 2.041 ( 4.220 2.263 -9.954) 11.046 2.503 ( 3.618 13.119 6.109) 14.917 2.960 ( 1.415 -2.079 5.239) 5.812 4.062 ( 14.362 4.466 2.532) 15.252 4.872 ( -2.179 -25.120 -0.860) 25.229 5.783 ( -22.933 1.096 -3.589) 23.238 6.424 ( 5.924 -1.724 -7.816) 9.958 6.841 ( -0.161 -21.040 4.855) 21.594 7.390 ( -4.511 -5.114 -2.765) 7.359 ======================= Grid point 478 (175/288) ======================= q-point: ( 0.50 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 3.580 10.158 0.030) 10.771 1.690 ( 0.637 6.195 0.407) 6.241 1.997 ( 6.932 7.563 -1.345) 10.347 2.087 ( 0.915 4.000 -5.377) 6.764 2.657 ( 3.714 2.671 -0.617) 4.616 3.024 ( 2.765 2.739 6.233) 7.348 4.383 ( 7.787 -0.157 2.112) 8.070 4.579 ( 4.331 -19.183 -2.210) 19.789 5.416 ( -19.326 3.087 -2.399) 19.717 6.406 ( -2.488 -3.908 -1.847) 4.987 6.641 ( -0.938 -18.466 0.422) 18.495 7.226 ( -7.461 -3.378 -3.644) 8.965 ======================= Grid point 479 (176/288) ======================= q-point: ( 0.57 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 4.741 7.773 -0.482) 9.117 1.819 ( 1.898 11.270 5.340) 12.615 2.118 ( -0.319 5.621 -3.791) 6.788 2.196 ( 7.600 4.337 3.154) 9.301 2.711 ( 3.629 -2.732 -0.111) 4.544 3.094 ( -0.428 2.777 1.982) 3.439 4.065 ( -13.056 -21.661 -3.942) 25.597 4.832 ( 6.235 14.000 1.384) 15.388 5.218 ( -0.591 -2.143 -1.898) 2.923 6.270 ( -6.736 -6.005 3.164) 9.563 6.453 ( -2.422 -11.370 -4.707) 12.542 7.078 ( -4.242 -2.974 -2.020) 5.560 ======================= Grid point 480 (177/288) ======================= q-point: ( 0.64 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 3.208 4.393 -0.519) 5.464 1.964 ( -2.548 13.467 6.342) 15.102 2.147 ( -2.265 6.140 -1.777) 6.782 2.355 ( 4.448 2.086 2.365) 5.452 2.739 ( 1.336 -1.722 -0.902) 2.359 3.083 ( -0.480 -1.586 0.390) 1.702 3.627 ( -12.223 -14.342 -3.739) 19.211 4.919 ( -12.212 20.775 1.701) 24.159 5.353 ( 14.432 -4.771 -1.455) 15.270 6.122 ( -3.760 -5.268 2.876) 7.083 6.311 ( -1.936 -6.008 -4.212) 7.589 7.009 ( 0.773 -4.596 -0.367) 4.675 ======================= Grid point 481 (178/288) ======================= q-point: ( 0.71 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 0.982 0.722 -0.787) 1.451 2.003 ( -9.338 9.225 4.588) 13.905 2.164 ( -3.280 8.086 1.260) 8.817 2.362 ( -4.167 0.047 -3.622) 5.522 2.642 ( -8.332 -0.827 -7.380) 11.161 3.110 ( 5.582 -3.402 2.576) 7.026 3.458 ( 3.313 -1.879 3.057) 4.884 4.926 ( -12.016 21.651 2.019) 24.844 5.487 ( 6.925 -4.658 -0.637) 8.370 6.047 ( -1.909 -2.884 -0.581) 3.507 6.262 ( 3.457 -4.272 -0.821) 5.556 6.997 ( 3.823 -6.077 0.177) 7.182 ======================= Grid point 482 (179/288) ======================= q-point: (-0.21 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -0.939 0.050 -0.852) 1.269 1.884 ( -10.118 4.576 1.876) 11.263 2.155 ( -7.485 3.580 2.290) 8.607 2.293 ( -0.760 2.270 -1.207) 2.681 2.502 ( -6.536 4.115 -5.827) 9.676 3.180 ( 3.971 -0.951 0.722) 4.147 3.626 ( 12.416 0.552 2.558) 12.689 4.939 ( -12.568 21.720 2.073) 25.179 5.509 ( 3.072 -8.812 -0.868) 9.372 5.991 ( -0.492 -1.524 -0.463) 1.667 6.318 ( 6.327 -2.313 -0.761) 6.779 7.018 ( 5.208 -5.592 0.148) 7.643 ======================= Grid point 483 (180/288) ======================= q-point: (-0.14 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -5.139 0.314 -0.645) 5.189 1.814 ( -5.350 0.840 5.080) 7.425 2.059 ( -3.664 1.832 2.005) 4.561 2.314 ( 0.341 -1.695 -0.836) 1.921 2.483 ( -0.824 8.933 -0.684) 8.997 3.205 ( -1.934 -0.012 -0.233) 1.948 3.871 ( 16.318 -0.549 -2.375) 16.499 4.928 ( -13.576 18.933 1.783) 23.366 5.389 ( -1.323 -15.218 -1.889) 15.392 6.043 ( 6.608 0.931 1.404) 6.819 6.419 ( 7.278 -0.035 -2.295) 7.631 7.069 ( 5.994 -3.505 -0.497) 6.961 ======================= Grid point 491 (181/288) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -0.000 9.618 -0.305) 9.622 1.765 ( -0.000 4.240 -6.974) 8.162 1.806 ( -0.000 -4.178 -7.177) 8.305 1.942 ( -0.000 4.311 -10.372) 11.232 2.633 ( 0.000 8.563 6.259) 10.607 2.960 ( 0.000 2.308 7.704) 8.042 3.963 ( 0.000 2.702 3.070) 4.090 4.643 ( 0.000 -25.214 -0.653) 25.222 6.063 ( -0.000 1.433 -0.473) 1.509 6.251 ( -0.000 -2.382 -10.228) 10.501 6.647 ( 0.000 -20.521 4.193) 20.945 7.380 ( -0.000 -3.509 -2.358) 4.228 ======================= Grid point 492 (182/288) ======================= q-point: ( 0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 1.286 9.278 -0.793) 9.400 1.674 ( 1.326 -1.468 -6.082) 6.396 1.892 ( 10.208 -2.648 -8.074) 13.282 2.020 ( 4.576 3.432 -2.724) 6.336 2.666 ( -1.283 -1.607 5.246) 5.634 3.058 ( 1.284 8.352 6.118) 10.432 4.141 ( 15.925 1.623 2.242) 16.164 4.354 ( -3.653 -24.984 -2.087) 25.335 5.822 ( -20.266 4.247 -2.792) 20.893 6.331 ( 6.002 -2.992 -3.931) 7.774 6.465 ( 0.092 -17.348 1.840) 17.445 7.300 ( -4.960 -2.186 -2.720) 6.065 ======================= Grid point 493 (183/288) ======================= q-point: ( 0.57 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 3.302 6.579 -0.462) 7.375 1.803 ( 10.087 5.814 1.224) 11.707 2.032 ( 10.829 -1.913 -6.548) 12.799 2.128 ( 5.548 0.767 2.475) 6.123 2.628 ( 0.490 -6.735 6.348) 9.268 3.158 ( -0.922 6.754 1.170) 6.917 4.014 ( -7.608 -20.643 -4.442) 22.444 4.519 ( 24.601 0.596 0.435) 24.612 5.526 ( -18.957 7.664 -1.692) 20.517 6.283 ( -2.609 -11.580 4.145) 12.574 6.358 ( 0.559 -4.412 -5.271) 6.897 7.161 ( -7.513 -1.172 -2.399) 7.973 ======================= Grid point 494 (184/288) ======================= q-point: ( 0.64 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 3.013 4.549 0.055) 5.457 2.055 ( 7.381 8.804 3.216) 11.930 2.166 ( 6.028 2.305 -4.764) 8.022 2.257 ( 8.291 -2.082 7.127) 11.130 2.615 ( 5.227 -8.248 6.126) 11.528 3.144 ( -5.573 1.979 -2.677) 6.492 3.670 ( -10.149 -12.250 -5.907) 16.969 4.961 ( 24.117 0.897 -0.720) 24.144 5.331 ( -13.241 10.282 -0.207) 16.766 6.132 ( -3.587 -8.432 2.695) 9.551 6.289 ( -2.896 -2.728 -3.335) 5.191 7.023 ( -5.870 -1.473 -1.217) 6.173 ======================= Grid point 495 (185/288) ======================= q-point: ( 0.71 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 0.398 0.040 -0.147) 0.426 2.208 ( 0.039 6.388 3.419) 7.246 2.242 ( -0.124 2.845 0.488) 2.889 2.369 ( 3.252 -2.072 2.280) 4.479 2.680 ( 5.160 -1.943 -0.677) 5.555 3.020 ( -4.184 -3.838 -0.596) 5.709 3.445 ( -4.346 -1.764 -2.895) 5.512 5.266 ( -5.888 9.590 0.568) 11.267 5.308 ( 12.011 2.511 -0.574) 12.285 6.040 ( -0.453 -2.762 0.945) 2.954 6.193 ( -2.785 -4.118 -1.528) 5.201 6.930 ( -1.945 -2.901 -0.252) 3.502 ======================= Grid point 496 (186/288) ======================= q-point: (-0.21 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.816 -1.037 -0.360) 1.368 2.141 ( -10.514 0.030 3.300) 11.020 2.290 ( -0.154 3.507 2.414) 4.260 2.306 ( -4.909 -2.958 -1.961) 6.057 2.690 ( -7.517 8.781 -1.803) 11.699 3.015 ( 9.254 -6.484 -1.008) 11.344 3.467 ( 5.921 0.637 0.525) 5.978 5.275 ( -5.301 9.400 2.062) 10.987 5.419 ( 1.063 -1.426 -1.583) 2.381 6.021 ( -3.845 1.423 -0.408) 4.120 6.163 ( 6.790 -4.487 -0.411) 8.149 6.902 ( 2.322 -2.840 -0.030) 3.669 ======================= Grid point 497 (187/288) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 0.268 0.556 -0.279) 0.677 1.965 ( -8.778 -0.925 5.770) 10.545 2.175 ( -6.695 -0.903 1.373) 6.894 2.314 ( -1.356 1.077 0.863) 1.935 2.627 ( -6.606 6.561 1.914) 9.505 3.133 ( 7.883 -2.433 -3.195) 8.847 3.599 ( 10.780 -3.193 -2.860) 11.601 5.220 ( -7.795 -5.631 1.049) 9.673 5.362 ( -4.582 4.297 -1.443) 6.445 5.989 ( 0.225 1.175 1.075) 1.609 6.278 ( 8.038 0.039 -1.698) 8.216 6.950 ( 4.792 -0.488 -0.535) 4.847 ======================= Grid point 506 (188/288) ======================= q-point: ( 0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -0.000 8.562 -1.053) 8.626 1.597 ( -0.000 -9.967 -12.424) 15.927 1.670 ( -0.000 -4.366 -5.181) 6.775 2.006 ( 0.000 0.759 1.538) 1.715 2.650 ( 0.000 -7.860 7.672) 10.984 3.168 ( 0.000 10.542 3.882) 11.234 4.013 ( 0.000 0.632 1.904) 2.006 4.142 ( -0.000 -21.866 -3.691) 22.175 6.132 ( -0.000 -3.670 -6.746) 7.680 6.134 ( -0.000 5.291 -0.346) 5.302 6.316 ( 0.000 -13.679 2.264) 13.865 7.322 ( -0.000 -0.913 -2.076) 2.267 ======================= Grid point 507 (189/288) ======================= q-point: ( 0.57 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 2.514 -1.110 -1.059) 2.945 1.637 ( 11.887 1.611 -3.970) 12.635 1.744 ( 12.458 -3.451 -3.652) 13.433 2.032 ( 3.641 -4.039 3.824) 6.648 2.574 ( -0.535 -10.464 8.958) 13.785 3.260 ( -1.381 7.706 0.689) 7.859 3.910 ( -3.301 -14.716 -6.085) 16.263 4.158 ( 15.473 -0.408 0.252) 15.481 5.880 ( -15.764 2.621 -3.068) 16.272 6.201 ( -0.650 -9.883 2.218) 10.150 6.290 ( 4.917 0.884 -2.604) 5.634 7.265 ( -5.169 -0.049 -1.710) 5.444 ======================= Grid point 508 (190/288) ======================= q-point: ( 0.64 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 6.459 2.096 1.081) 6.876 1.897 ( 16.915 0.674 -6.572) 18.159 1.964 ( 12.559 1.124 0.822) 12.636 2.085 ( 8.134 -7.188 9.113) 14.174 2.500 ( 0.999 -9.469 8.829) 12.985 3.261 ( -4.850 3.206 -2.150) 6.198 3.703 ( -6.351 -5.511 -7.235) 11.093 4.515 ( 25.204 -0.369 -1.024) 25.228 5.642 ( -14.282 4.347 -1.484) 15.002 6.104 ( -1.722 -6.762 1.900) 7.232 6.319 ( -1.356 0.914 -1.743) 2.389 7.144 ( -8.051 0.302 -1.123) 8.135 ======================= Grid point 509 (191/288) ======================= q-point: ( 0.71 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 0.459 0.924 0.472) 1.135 2.098 ( 12.298 -7.133 -4.378) 14.876 2.199 ( 11.455 4.181 -2.738) 12.498 2.238 ( 6.962 -1.777 8.080) 10.812 2.501 ( 6.901 -6.614 7.494) 12.146 3.149 ( -8.833 0.945 -1.722) 9.049 3.545 ( -7.392 2.285 -5.249) 9.349 4.963 ( 24.974 0.521 -1.660) 25.034 5.478 ( -9.043 3.757 0.295) 9.797 6.026 ( -1.381 -3.592 1.447) 4.111 6.262 ( -5.544 0.957 -0.785) 5.680 7.003 ( -7.544 0.012 -0.415) 7.555 ======================= Grid point 510 (192/288) ======================= q-point: (-0.21 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -0.991 0.130 0.325) 1.051 2.169 ( 3.436 -8.315 -2.498) 9.337 2.283 ( 0.187 -1.752 1.912) 2.600 2.318 ( 3.034 -0.871 -2.440) 3.990 2.680 ( 14.369 -0.789 0.326) 14.394 2.998 ( -10.831 3.099 2.317) 11.501 3.474 ( -3.707 4.552 -0.803) 5.925 5.296 ( 10.258 0.250 -2.346) 10.526 5.402 ( -1.666 -0.066 2.008) 2.610 6.018 ( 3.754 -1.973 0.232) 4.247 6.159 ( -7.363 2.862 0.368) 7.908 6.902 ( -3.658 0.467 0.036) 3.688 ======================= Grid point 511 (193/288) ======================= q-point: (-0.14 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 1.077 1.865 -0.000) 2.154 2.052 ( -4.300 -7.447 -0.000) 8.600 2.226 ( -2.597 -4.498 -0.000) 5.194 2.362 ( 0.881 1.527 0.000) 1.763 2.815 ( -3.181 -5.510 -0.000) 6.362 2.941 ( 4.880 8.453 -0.000) 9.761 3.474 ( 0.074 0.129 -0.000) 0.149 5.234 ( -6.484 -11.230 -0.000) 12.967 5.445 ( 1.259 2.180 -0.000) 2.518 6.035 ( -0.751 -1.300 -0.000) 1.501 6.172 ( 3.693 6.396 -0.000) 7.385 6.903 ( 1.711 2.963 -0.000) 3.422 ======================= Grid point 522 (194/288) ======================= q-point: ( 0.57 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 0.000 -12.442 -0.009) 12.442 1.542 ( -0.000 2.918 -0.090) 2.919 1.622 ( 0.000 1.515 0.877) 1.751 1.965 ( 0.000 -6.012 4.862) 7.732 2.493 ( 0.000 -11.193 8.895) 14.297 3.337 ( -0.000 4.828 -1.444) 5.039 3.810 ( -0.000 -6.382 -7.674) 9.982 4.014 ( -0.000 -0.705 -0.788) 1.057 6.042 ( -0.000 -1.217 -4.434) 4.598 6.132 ( 0.000 -6.325 1.432) 6.485 6.237 ( -0.000 4.386 -0.205) 4.391 7.310 ( -0.000 0.438 -1.158) 1.238 ======================= Grid point 523 (195/288) ======================= q-point: ( 0.64 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 12.614 -5.831 4.669) 14.660 1.666 ( 9.575 3.603 0.648) 10.251 1.762 ( 11.738 1.333 1.751) 11.943 1.939 ( 2.978 -6.570 8.045) 10.805 2.425 ( 0.544 -7.807 7.490) 10.832 3.338 ( -2.367 0.853 -3.831) 4.583 3.738 ( -2.781 1.251 -7.441) 8.042 4.139 ( 15.551 -0.813 -1.855) 15.682 5.900 ( -12.087 1.967 -2.319) 12.464 6.077 ( -0.936 -4.162 1.169) 4.424 6.319 ( 2.841 2.093 -0.763) 3.610 7.266 ( -5.159 0.621 -0.757) 5.251 ======================= Grid point 524 (196/288) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 11.695 -1.598 1.254) 11.870 1.819 ( 5.155 -3.054 -1.171) 6.105 1.984 ( 15.385 1.141 -1.064) 15.464 2.092 ( 11.433 0.858 10.125) 15.296 2.401 ( 1.323 -4.938 6.429) 8.214 3.261 ( -4.264 -0.608 -4.140) 5.975 3.686 ( -5.402 6.262 -5.038) 9.684 4.501 ( 26.012 -0.094 -1.839) 26.077 5.695 ( -12.832 1.973 -0.550) 12.995 6.025 ( -1.491 -2.377 0.713) 2.895 6.347 ( -1.786 2.019 -0.052) 2.696 7.151 ( -8.211 0.745 -0.323) 8.251 ======================= Grid point 525 (197/288) ======================= q-point: (-0.21 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 0.694 -0.734 0.769) 1.270 1.914 ( 11.124 -5.674 -4.699) 13.342 2.170 ( 6.575 -5.110 -0.790) 8.365 2.292 ( 3.505 3.280 -1.292) 4.972 2.446 ( 9.661 -2.775 6.236) 11.829 3.183 ( -4.893 2.526 -0.045) 5.507 3.642 ( -7.166 8.606 -0.946) 11.238 4.957 ( 25.179 -0.132 -1.835) 25.246 5.500 ( -9.810 -2.225 1.145) 10.124 5.989 ( -1.028 -0.238 -0.111) 1.061 6.309 ( -5.256 3.570 1.137) 6.455 7.018 ( -7.626 1.545 0.126) 7.782 ======================= Grid point 537 (198/288) ======================= q-point: (-0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 0.000 4.679 13.848) 14.617 1.612 ( 0.000 2.204 3.376) 4.031 1.670 ( 0.000 1.877 4.505) 4.880 1.891 ( 0.000 -2.957 6.022) 6.709 2.381 ( 0.000 -4.251 6.208) 7.523 3.334 ( -0.000 -2.517 -6.290) 6.775 3.778 ( -0.000 6.216 -6.060) 8.681 3.981 ( -0.000 -1.218 -3.330) 3.546 6.027 ( -0.000 0.275 -1.703) 1.725 6.079 ( 0.000 1.728 0.119) 1.732 6.284 ( -0.000 0.172 -0.106) 0.202 7.315 ( -0.000 0.475 -0.618) 0.780 ======================= Grid point 538 (199/288) ======================= q-point: (-0.29 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 4.373 8.235 8.804) 12.823 1.729 ( 9.614 -3.034 0.181) 10.083 1.790 ( 5.409 5.665 3.635) 8.635 1.963 ( 8.121 3.283 9.927) 13.239 2.374 ( 0.259 -1.854 5.314) 5.634 3.259 ( -1.062 -4.712 -7.622) 9.024 3.821 ( -2.558 9.637 -3.540) 10.581 4.108 ( 16.699 -0.590 -3.195) 17.012 5.946 ( -12.401 3.323 -0.991) 12.876 6.035 ( -1.777 -0.433 0.085) 1.831 6.347 ( 3.983 1.321 0.391) 4.215 7.274 ( -4.899 0.511 -0.537) 4.955 ======================= Grid point 539 (200/288) ======================= q-point: (-0.21 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 4.796 0.064 2.388) 5.357 1.781 ( 2.789 -0.989 -0.781) 3.060 1.989 ( 8.704 0.133 -0.823) 8.744 2.221 ( 9.825 7.737 3.085) 12.881 2.370 ( -0.169 -2.448 5.951) 6.437 3.200 ( 1.615 -2.975 -4.361) 5.521 3.857 ( -5.394 12.291 -0.402) 13.429 4.487 ( 26.508 -0.143 -2.140) 26.594 5.699 ( -15.431 -2.661 0.820) 15.680 6.025 ( -1.203 3.406 -1.337) 3.852 6.407 ( -0.820 3.976 1.850) 4.461 7.169 ( -7.480 1.327 -0.273) 7.601 ======================= Grid point 552 (201/288) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 0.000 -5.026 -0.206) 5.030 1.607 ( 0.000 18.470 8.945) 20.522 1.808 ( 0.000 5.206 9.564) 10.889 1.963 ( 0.000 6.869 7.430) 10.119 2.381 ( 0.000 0.053 4.681) 4.681 3.172 ( -0.000 -8.387 -9.857) 12.943 3.933 ( -0.000 -0.887 -4.250) 4.341 3.949 ( -0.000 12.818 -1.384) 12.893 6.042 ( -0.000 3.741 -2.522) 4.512 6.195 ( 0.000 8.134 2.159) 8.415 6.243 ( 0.000 -3.987 0.034) 3.988 7.319 ( -0.000 0.418 -0.983) 1.069 ======================= Grid point 553 (202/288) ======================= q-point: (-0.21 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 0.769 -5.414 0.772) 5.523 1.753 ( -0.730 5.107 3.292) 6.120 1.921 ( 3.654 4.833 2.079) 6.405 2.179 ( 7.528 12.878 7.108) 16.524 2.388 ( -1.031 -0.483 4.819) 4.952 3.068 ( 3.222 -9.121 -8.438) 12.836 4.060 ( 3.266 11.868 -0.533) 12.321 4.086 ( 11.941 3.533 -1.809) 12.583 5.968 ( -17.342 -2.397 0.793) 17.525 6.086 ( -0.344 7.378 -2.615) 7.835 6.420 ( 5.857 5.841 2.648) 8.685 7.283 ( -4.204 1.137 -1.263) 4.535 ======================= Grid point 567 (203/288) ======================= q-point: (-0.21 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 0.000 -9.063 -0.388) 9.072 1.838 ( -0.000 2.152 -2.505) 3.302 1.932 ( 0.000 1.748 4.612) 4.933 2.299 ( 0.000 18.072 8.118) 19.812 2.408 ( 0.000 -0.961 5.547) 5.630 2.891 ( -0.000 -13.019 -9.795) 16.293 3.905 ( -0.000 0.393 -2.245) 2.280 4.263 ( 0.000 18.160 1.221) 18.201 6.147 ( 0.000 -4.934 0.158) 4.936 6.173 ( -0.000 11.331 -3.213) 11.778 6.409 ( 0.000 10.921 4.329) 11.747 7.325 ( -0.000 1.411 -2.296) 2.694 ======================= Grid point 644 (204/288) ======================= q-point: ( 0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.000 -0.000 16.658) 16.658 0.576 ( 0.000 -0.000 16.658) 16.658 0.989 ( 0.000 -0.000 32.923) 32.923 1.730 ( 0.000 -0.000 3.333) 3.333 1.730 ( 0.000 -0.000 3.333) 3.333 3.447 ( -0.000 0.000 -11.263) 11.263 3.839 ( -0.000 0.000 -2.212) 2.212 3.839 ( -0.000 0.000 -2.212) 2.212 6.389 ( 0.000 -0.000 0.050) 0.050 6.389 ( 0.000 -0.000 0.050) 0.050 7.564 ( 0.000 -0.000 2.635) 2.635 7.779 ( -0.000 0.000 -1.124) 1.124 ======================= Grid point 645 (205/288) ======================= q-point: ( 0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 0.011 0.006 15.703) 15.703 0.721 ( 3.132 1.808 18.883) 19.227 1.336 ( 17.439 10.069 16.050) 25.751 1.691 ( -1.954 -1.128 2.381) 3.281 1.901 ( 8.033 4.638 1.159) 9.348 3.112 ( -4.592 -2.651 -5.707) 7.790 3.893 ( 3.126 1.805 -1.683) 3.982 5.132 ( 49.791 28.747 -40.723) 70.455 6.126 ( -17.752 -10.249 0.189) 20.499 6.340 ( -4.114 -2.375 -0.009) 4.750 7.528 ( -3.764 -2.173 3.401) 5.519 7.822 ( 0.986 0.569 1.367) 1.779 ======================= Grid point 646 (206/288) ======================= q-point: ( 0.36 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 7.335 4.235 9.242) 12.536 0.902 ( 7.922 4.574 13.508) 16.314 1.658 ( -1.283 -0.741 1.230) 1.925 1.682 ( 10.374 5.989 -6.568) 13.662 2.181 ( 14.541 8.395 10.614) 19.864 3.049 ( -0.357 -0.206 -5.370) 5.385 3.966 ( 3.325 1.919 -1.149) 4.007 5.491 ( -11.249 -6.495 -9.475) 16.078 5.948 ( 10.121 5.844 -15.635) 19.520 6.217 ( -5.943 -3.431 -0.199) 6.865 7.423 ( -5.858 -3.382 3.298) 7.526 7.720 ( -10.876 -6.279 1.736) 12.677 ======================= Grid point 647 (207/288) ======================= q-point: ( 0.43 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 10.742 6.202 3.566) 12.906 1.139 ( 9.238 5.334 5.721) 12.105 1.646 ( 0.301 0.174 -0.645) 0.733 1.848 ( 7.941 4.584 -11.069) 14.373 2.531 ( 11.068 6.390 8.827) 15.532 3.047 ( 1.030 0.595 -1.645) 2.030 4.026 ( 1.752 1.011 -0.249) 2.038 5.092 ( -18.357 -10.598 -0.434) 21.201 6.096 ( -3.759 -2.170 -0.413) 4.360 6.103 ( 4.642 2.680 -11.673) 12.845 7.301 ( -5.840 -3.372 4.081) 7.882 7.347 ( -19.647 -11.343 -2.116) 22.784 ======================= Grid point 648 (208/288) ======================= q-point: ( 0.50 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 10.723 6.191 0.598) 12.396 1.338 ( 6.992 4.037 -0.807) 8.114 1.669 ( 2.134 1.232 -3.456) 4.245 2.007 ( 8.104 4.679 -6.814) 11.575 2.706 ( 2.581 1.490 4.193) 5.144 3.083 ( 1.696 0.979 2.962) 3.551 4.035 ( -1.135 -0.655 1.175) 1.759 4.656 ( -19.985 -11.538 -0.723) 23.088 6.063 ( 1.148 0.663 -0.487) 1.413 6.092 ( -2.609 -1.506 -5.272) 6.072 6.829 ( -21.650 -12.499 -2.281) 25.103 7.237 ( -1.454 -0.840 1.629) 2.340 ======================= Grid point 649 (209/288) ======================= q-point: ( 0.57 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 8.657 4.998 -0.374) 10.003 1.447 ( 3.192 1.843 -5.130) 6.317 1.717 ( 3.283 1.896 -6.695) 7.694 2.151 ( 5.042 2.911 -5.553) 8.045 2.729 ( -0.130 -0.075 3.230) 3.234 3.135 ( 1.406 0.812 6.428) 6.630 3.991 ( -2.888 -1.667 2.843) 4.382 4.131 ( -24.639 -14.226 -3.372) 28.650 5.995 ( -3.788 -2.187 -0.768) 4.441 6.133 ( 4.435 2.561 -0.318) 5.131 6.404 ( -13.863 -8.004 -2.342) 16.178 7.240 ( 1.008 0.582 1.382) 1.807 ======================= Grid point 650 (210/288) ======================= q-point: ( 0.64 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 0.831 0.480 -8.176) 8.232 1.561 ( 5.042 2.911 -0.226) 5.826 1.774 ( 3.796 2.192 -9.307) 10.288 2.177 ( -0.569 -0.328 -10.137) 10.158 2.715 ( -3.565 -2.058 -3.367) 5.318 3.180 ( -0.017 -0.010 9.549) 9.549 3.624 ( -13.907 -8.029 2.517) 16.255 3.935 ( -2.644 -1.527 4.233) 5.219 5.954 ( 0.443 0.256 1.239) 1.341 6.163 ( -7.170 -4.140 -0.923) 8.330 6.234 ( 3.702 2.137 -0.040) 4.275 7.275 ( 1.351 0.780 1.056) 1.884 ======================= Grid point 651 (211/288) ======================= q-point: (-0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 5.011 2.893 -9.879) 11.449 1.625 ( 0.317 0.183 0.268) 0.454 1.834 ( 4.022 2.322 -10.140) 11.153 2.084 ( -2.808 -1.621 -14.815) 15.165 2.539 ( -5.889 -3.400 -10.132) 12.202 3.165 ( -4.043 -2.334 11.531) 12.440 3.625 ( 8.695 5.020 9.741) 13.989 3.900 ( -1.518 -0.876 4.772) 5.083 5.998 ( 0.809 0.467 1.281) 1.586 6.075 ( 1.468 0.848 0.472) 1.760 6.282 ( 0.188 0.108 0.119) 0.248 7.300 ( 0.462 0.266 0.970) 1.107 ======================= Grid point 652 (212/288) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -4.368 -2.522 0.392) 5.059 1.668 ( 11.207 6.471 -3.952) 13.531 1.893 ( 3.424 1.977 -8.370) 9.257 2.058 ( 5.886 3.398 -12.387) 14.129 2.444 ( -0.794 -0.458 -8.675) 8.724 3.070 ( -7.358 -4.248 11.719) 14.475 3.894 ( -0.337 -0.195 4.086) 4.105 3.923 ( 13.695 7.907 4.006) 16.313 6.019 ( 2.751 1.588 2.355) 3.954 6.210 ( 8.148 4.704 -0.967) 9.458 6.243 ( -3.380 -1.952 0.057) 3.904 7.307 ( 0.080 0.046 1.476) 1.479 ======================= Grid point 659 (213/288) ======================= q-point: ( 0.29 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 0.000 9.755 13.596) 16.734 0.791 ( 0.000 5.989 9.154) 10.939 1.353 ( 0.000 14.080 22.347) 26.413 1.810 ( 0.000 3.047 3.682) 4.779 1.856 ( -0.000 8.632 -2.021) 8.866 3.100 ( -0.000 -5.853 -5.667) 8.147 3.799 ( -0.000 -0.202 -2.057) 2.067 5.097 ( -0.000 60.743 -35.394) 70.303 6.181 ( -0.000 -14.401 -2.599) 14.634 6.336 ( 0.000 -4.897 -0.002) 4.897 7.531 ( 0.000 -5.427 3.986) 6.733 7.768 ( 0.000 -3.614 2.326) 4.297 ======================= Grid point 660 (214/288) ======================= q-point: ( 0.36 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -3.281 11.500 7.366) 14.045 0.943 ( 4.075 11.296 11.202) 16.423 1.580 ( 3.175 8.356 3.803) 9.714 1.804 ( -4.986 8.418 -0.590) 9.801 2.048 ( 12.168 7.252 7.551) 16.052 3.032 ( -0.657 -1.237 -5.769) 5.937 3.892 ( 7.665 1.591 -1.064) 7.901 5.539 ( 8.061 19.784 -23.674) 31.888 5.830 ( -16.040 -15.790 -1.224) 22.541 6.326 ( -0.099 2.659 -3.851) 4.681 7.454 ( -2.631 -7.663 4.149) 9.102 7.734 ( -0.649 -9.411 1.826) 9.609 ======================= Grid point 661 (215/288) ======================= q-point: ( 0.43 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 2.755 9.412 5.818) 11.403 1.175 ( 2.913 14.847 7.617) 16.939 1.669 ( 1.319 4.585 -1.324) 4.952 1.815 ( -1.515 9.039 -7.707) 11.975 2.403 ( 14.252 6.908 8.356) 17.907 3.019 ( 1.328 0.070 -3.116) 3.388 4.042 ( 3.994 7.170 -0.145) 8.208 5.332 ( -21.578 -8.443 -2.034) 23.260 5.702 ( 11.727 -15.226 -7.241) 20.538 6.341 ( -4.429 9.665 -5.811) 12.116 7.327 ( -3.308 -9.023 4.123) 10.458 7.509 ( -12.269 -12.839 -1.575) 17.828 ======================= Grid point 662 (216/288) ======================= q-point: ( 0.50 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 7.429 8.687 3.124) 11.850 1.360 ( 0.876 11.635 3.792) 12.269 1.726 ( -2.063 8.787 -0.669) 9.051 1.917 ( 6.374 7.698 -7.912) 12.747 2.660 ( 6.980 2.820 3.097) 8.140 3.055 ( 2.639 0.576 1.114) 2.922 4.147 ( -3.090 11.140 0.528) 11.573 4.866 ( -19.585 -12.945 -0.619) 23.485 5.719 ( 12.723 -18.090 -3.096) 22.332 6.307 ( -7.325 6.597 -2.962) 10.293 7.055 ( -18.310 -15.519 -1.322) 24.038 7.238 ( -2.529 -4.487 0.549) 5.180 ======================= Grid point 663 (217/288) ======================= q-point: ( 0.57 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 8.121 8.045 0.694) 11.453 1.463 ( -1.118 7.885 1.854) 8.177 1.776 ( -2.659 10.917 -4.468) 12.092 2.098 ( 6.153 7.668 -4.224) 10.700 2.736 ( 0.664 0.093 1.415) 1.566 3.116 ( 2.750 0.106 3.973) 4.833 4.159 ( -8.705 11.928 1.461) 14.839 4.365 ( -21.226 -16.796 -2.407) 27.174 5.774 ( 12.625 -14.534 -1.569) 19.315 6.220 ( -6.421 2.484 1.093) 6.971 6.600 ( -16.883 -8.349 -4.003) 19.255 7.199 ( 1.902 -3.881 1.499) 4.575 ======================= Grid point 664 (218/288) ======================= q-point: ( 0.64 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -0.746 4.253 -2.757) 5.123 1.543 ( 3.280 9.468 0.494) 10.032 1.817 ( -3.182 10.122 -5.805) 12.094 2.199 ( -1.077 5.758 -7.279) 9.343 2.732 ( -1.237 -1.108 -0.567) 1.755 3.176 ( 2.701 -0.722 6.647) 7.211 3.813 ( -19.730 -14.734 -0.959) 24.643 4.119 ( -10.091 12.281 2.696) 16.122 5.825 ( 7.990 -10.705 0.089) 13.358 6.169 ( -1.836 -1.948 2.690) 3.795 6.328 ( -7.652 0.758 -3.533) 8.462 7.219 ( 3.686 -3.496 1.243) 5.230 ======================= Grid point 665 (219/288) ======================= q-point: ( 0.71 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -2.365 5.109 -7.358) 9.265 1.683 ( 1.138 9.327 -0.540) 9.412 1.823 ( -3.298 5.578 -4.966) 8.164 2.144 ( -6.266 4.271 -12.795) 14.873 2.594 ( -8.188 -4.499 -9.525) 13.342 3.216 ( -0.411 -2.055 8.926) 9.169 3.577 ( 2.176 -1.098 8.750) 9.083 4.086 ( -9.723 13.581 3.572) 17.080 5.863 ( 7.746 -8.370 1.363) 11.485 6.089 ( -3.285 -2.580 -0.118) 4.179 6.312 ( 0.328 3.428 -0.079) 3.445 7.250 ( 3.462 -3.752 0.881) 5.181 ======================= Grid point 666 (220/288) ======================= q-point: (-0.21 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 4.786 4.191 -8.559) 10.665 1.732 ( -6.672 8.083 -0.379) 10.488 1.826 ( 3.224 3.020 -4.607) 6.383 2.067 ( -2.677 7.870 -11.898) 14.514 2.437 ( -2.730 -1.301 -8.118) 8.663 3.178 ( -4.449 -2.358 9.495) 10.748 3.776 ( 12.063 4.379 6.128) 14.221 4.076 ( -9.232 14.869 3.669) 17.882 5.932 ( 8.712 -7.901 1.847) 11.905 6.039 ( 0.647 -2.669 -0.686) 2.830 6.350 ( -0.371 4.660 -0.082) 4.675 7.267 ( 2.748 -3.908 0.908) 4.863 ======================= Grid point 674 (221/288) ======================= q-point: ( 0.36 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 0.000 5.362 3.031) 6.159 1.068 ( 0.000 21.231 4.572) 21.718 1.715 ( 0.000 12.144 0.637) 12.160 1.873 ( -0.000 1.432 -0.157) 1.441 2.054 ( 0.000 11.309 7.424) 13.528 3.011 ( -0.000 -1.171 -4.022) 4.189 3.817 ( 0.000 2.695 0.291) 2.711 5.484 ( -0.000 -6.732 -8.218) 10.623 6.057 ( -0.000 12.399 -18.655) 22.400 6.212 ( 0.000 -6.862 -0.135) 6.864 7.389 ( 0.000 -12.277 6.031) 13.678 7.647 ( 0.000 -9.069 2.047) 9.298 ======================= Grid point 675 (222/288) ======================= q-point: ( 0.43 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -0.783 7.583 2.251) 7.949 1.323 ( 2.404 19.466 3.319) 19.892 1.713 ( -3.013 5.674 -7.584) 9.939 1.939 ( -0.329 5.533 -3.846) 6.747 2.281 ( 9.269 10.648 9.584) 17.063 2.994 ( 0.453 -0.268 -1.604) 1.689 3.966 ( 10.809 5.236 1.606) 12.117 5.341 ( 0.902 -21.410 -2.131) 21.535 5.746 ( -23.475 2.923 -7.603) 24.848 6.371 ( 7.110 4.003 -7.858) 11.328 7.254 ( -1.210 -16.282 6.159) 17.450 7.526 ( -4.441 -9.808 -1.477) 10.868 ======================= Grid point 676 (223/288) ======================= q-point: ( 0.50 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 3.445 9.197 1.719) 9.971 1.507 ( -0.923 12.915 2.375) 13.164 1.793 ( 5.679 9.656 -5.004) 12.269 1.956 ( -3.004 7.682 -2.520) 8.625 2.554 ( 9.137 5.482 1.563) 10.770 3.022 ( 2.370 0.699 2.015) 3.188 4.238 ( 8.770 10.639 1.954) 13.925 5.031 ( -11.766 -21.089 -1.527) 24.197 5.437 ( -6.310 -6.273 -3.224) 9.464 6.423 ( -1.729 1.746 -4.115) 4.793 7.053 ( -3.880 -20.280 4.204) 21.072 7.301 ( -9.181 -5.717 -4.217) 11.609 ======================= Grid point 677 (224/288) ======================= q-point: ( 0.57 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 6.279 9.197 0.420) 11.144 1.612 ( -1.391 11.064 4.587) 12.057 1.941 ( -3.004 11.127 -1.718) 11.652 2.051 ( 7.266 8.888 -2.465) 11.742 2.699 ( 4.250 1.383 -1.935) 4.871 3.084 ( 2.299 0.584 3.571) 4.287 4.405 ( -4.567 3.001 1.179) 5.590 4.577 ( -18.211 -5.262 -2.010) 19.063 5.382 ( 11.543 -13.306 -1.298) 17.662 6.346 ( -6.121 -1.026 0.336) 6.215 6.727 ( -11.136 -15.783 -2.545) 19.483 7.146 ( -2.053 -4.401 -0.687) 4.905 ======================= Grid point 678 (225/288) ======================= q-point: ( 0.64 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 5.245 6.958 -0.793) 8.750 1.706 ( -3.902 13.344 6.348) 15.283 1.977 ( -3.732 10.327 -3.244) 11.450 2.242 ( 3.450 8.235 -3.118) 9.457 2.737 ( 0.127 0.118 -1.557) 1.567 3.129 ( 2.608 -1.483 3.878) 4.903 3.975 ( -18.634 -19.628 -2.389) 27.170 4.500 ( -12.867 20.220 1.547) 24.017 5.508 ( 14.951 -10.933 -0.686) 18.534 6.224 ( -5.614 -3.127 3.946) 7.541 6.424 ( -7.725 -6.745 -5.430) 11.604 7.110 ( 2.903 -5.341 0.791) 6.130 ======================= Grid point 679 (226/288) ======================= q-point: ( 0.71 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -0.788 5.984 -1.206) 6.154 1.788 ( -3.749 12.907 3.777) 13.961 1.990 ( -5.566 9.013 -1.675) 10.725 2.274 ( -5.466 6.249 -9.114) 12.328 2.662 ( -6.967 -3.077 -7.401) 10.619 3.184 ( 3.958 -2.616 5.772) 7.472 3.582 ( -5.731 -8.941 4.564) 11.559 4.483 ( -13.427 21.472 2.141) 25.414 5.624 ( 9.860 -8.955 0.356) 13.324 6.118 ( -3.652 -3.861 0.644) 5.354 6.315 ( 0.337 -1.166 -1.481) 1.915 7.125 ( 4.737 -6.134 0.769) 7.788 ======================= Grid point 680 (227/288) ======================= q-point: (-0.21 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -5.552 7.659 -2.507) 9.786 1.818 ( -3.147 2.177 -0.911) 3.934 1.974 ( -6.776 12.709 1.171) 14.450 2.187 ( -5.827 6.646 -9.953) 13.311 2.470 ( -6.122 -1.851 -8.193) 10.394 3.216 ( 0.696 -2.323 5.401) 5.921 3.630 ( 9.703 0.301 6.845) 11.878 4.481 ( -13.281 22.742 2.339) 26.440 5.689 ( 8.230 -9.343 0.701) 12.471 6.032 ( -1.906 -2.664 -0.888) 3.394 6.346 ( 3.038 -0.117 -0.024) 3.040 7.147 ( 4.824 -6.526 0.486) 8.130 ======================= Grid point 689 (228/288) ======================= q-point: ( 0.43 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.000 7.499 0.047) 7.499 1.502 ( -0.000 18.820 0.906) 18.841 1.815 ( -0.000 4.601 -15.620) 16.283 1.849 ( -0.000 -2.083 -5.569) 5.946 2.398 ( 0.000 14.499 12.162) 18.925 2.985 ( 0.000 -0.605 1.126) 1.278 3.901 ( 0.000 4.187 2.867) 5.075 5.120 ( 0.000 -21.962 -1.046) 21.987 6.091 ( -0.000 -4.289 -0.299) 4.299 6.179 ( -0.000 7.029 -14.334) 15.965 7.097 ( 0.000 -20.853 6.817) 21.939 7.476 ( -0.000 -7.176 -1.967) 7.441 ======================= Grid point 690 (229/288) ======================= q-point: ( 0.50 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 1.017 9.187 -0.203) 9.245 1.628 ( -1.878 6.198 -4.796) 8.059 1.784 ( 3.629 9.971 -4.465) 11.512 1.953 ( 7.508 0.366 -9.061) 11.773 2.561 ( 0.266 10.676 6.290) 12.394 3.004 ( 1.570 0.866 4.061) 4.439 4.088 ( 14.183 4.559 2.893) 15.176 4.865 ( -2.587 -25.017 -0.634) 25.158 5.749 ( -22.882 1.983 -3.664) 23.258 6.359 ( 7.837 -0.739 -6.025) 9.913 6.889 ( -0.937 -22.419 5.237) 23.042 7.360 ( -5.205 -5.153 -3.613) 8.167 ======================= Grid point 691 (230/288) ======================= q-point: ( 0.57 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 3.673 9.612 -0.344) 10.296 1.687 ( 4.147 6.326 -0.827) 7.609 1.984 ( 7.148 7.979 -1.828) 10.867 2.046 ( 3.751 4.287 -3.263) 6.565 2.656 ( 1.428 3.833 0.343) 4.105 3.073 ( 1.964 2.471 4.235) 5.282 4.400 ( 5.644 -2.663 1.464) 6.410 4.563 ( 5.518 -17.693 -1.173) 18.570 5.395 ( -18.792 3.360 -1.938) 19.188 6.386 ( -0.414 -2.593 -2.272) 3.472 6.652 ( -2.989 -20.238 1.895) 20.545 7.192 ( -7.122 -2.977 -3.379) 8.427 ======================= Grid point 692 (231/288) ======================= q-point: ( 0.64 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 4.696 7.835 -0.296) 9.139 1.862 ( 3.906 11.035 3.567) 12.237 2.088 ( 0.724 4.897 -2.580) 5.582 2.220 ( 7.001 6.983 1.991) 10.087 2.706 ( 2.481 -0.009 -0.652) 2.566 3.111 ( -0.607 0.361 1.472) 1.633 4.034 ( -13.567 -22.910 -2.338) 26.728 4.842 ( 6.955 13.891 0.821) 15.557 5.204 ( -0.863 -2.132 -1.045) 2.526 6.301 ( -5.534 -4.326 3.209) 7.722 6.410 ( -3.901 -12.879 -4.128) 14.076 7.063 ( -3.176 -3.089 -1.098) 4.565 ======================= Grid point 693 (232/288) ======================= q-point: ( 0.71 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 2.979 4.554 -0.431) 5.459 2.023 ( -1.751 13.145 6.176) 14.629 2.130 ( -1.632 6.622 -1.611) 7.008 2.358 ( 0.744 4.319 -1.897) 4.776 2.716 ( -2.235 -0.773 -3.834) 4.504 3.096 ( 1.903 -3.736 2.069) 4.675 3.608 ( -9.845 -14.707 -0.103) 17.699 4.936 ( -12.065 20.827 1.740) 24.133 5.341 ( 14.933 -5.091 -1.064) 15.813 6.146 ( -4.984 -6.434 1.900) 8.357 6.277 ( -0.793 -4.757 -2.722) 5.538 7.008 ( 1.263 -4.876 0.229) 5.042 ======================= Grid point 694 (233/288) ======================= q-point: ( 0.79 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 0.768 0.810 -0.688) 1.311 2.050 ( -11.503 8.843 5.413) 15.486 2.177 ( -2.104 9.889 1.699) 10.252 2.312 ( -6.031 2.116 -6.977) 9.462 2.571 ( -8.869 0.781 -7.646) 11.736 3.132 ( 5.520 -5.279 2.065) 7.912 3.497 ( 5.501 -3.480 4.921) 8.160 4.945 ( -11.963 21.724 2.058) 24.886 5.482 ( 7.391 -5.196 -0.527) 9.050 6.038 ( -2.485 -3.147 -1.189) 4.182 6.258 ( 3.907 -4.095 0.053) 5.660 7.000 ( 3.890 -6.268 0.315) 7.384 ======================= Grid point 704 (234/288) ======================= q-point: ( 0.50 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -0.000 9.481 -1.051) 9.539 1.664 ( -0.000 -1.069 -13.495) 13.537 1.739 ( -0.000 -4.172 -6.811) 7.987 1.888 ( -0.000 10.701 -2.037) 10.893 2.686 ( 0.000 6.439 5.047) 8.181 3.024 ( 0.000 3.860 5.912) 7.060 3.992 ( 0.000 2.449 2.978) 3.855 4.639 ( 0.000 -25.706 -0.250) 25.707 6.059 ( -0.000 1.414 -0.323) 1.450 6.162 ( -0.000 -0.783 -8.555) 8.590 6.687 ( 0.000 -21.890 4.339) 22.316 7.353 ( -0.000 -3.334 -3.203) 4.624 ======================= Grid point 705 (235/288) ======================= q-point: ( 0.57 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 1.416 8.997 -1.040) 9.167 1.618 ( 5.020 0.095 -6.095) 7.897 1.810 ( 11.511 -3.855 -8.092) 14.589 2.017 ( 4.225 6.530 1.155) 7.863 2.708 ( -1.863 0.259 3.745) 4.191 3.107 ( 0.545 6.580 4.249) 7.851 4.158 ( 15.500 0.944 1.509) 15.602 4.340 ( -4.029 -26.413 -1.003) 26.738 5.797 ( -19.928 4.283 -2.546) 20.541 6.292 ( 7.012 -1.949 -4.064) 8.335 6.491 ( -0.523 -18.452 3.313) 18.754 7.272 ( -5.158 -1.632 -3.099) 6.234 ======================= Grid point 706 (236/288) ======================= q-point: ( 0.64 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 3.536 7.079 0.108) 7.914 1.803 ( 12.059 5.699 -1.735) 13.450 1.974 ( 11.830 -1.474 -4.604) 12.780 2.163 ( 6.612 2.582 4.486) 8.397 2.681 ( -0.427 -3.420 4.814) 5.921 3.164 ( -2.051 4.700 -0.055) 5.128 3.979 ( -7.879 -22.806 -2.803) 24.291 4.519 ( 24.246 0.043 -0.340) 24.248 5.513 ( -18.240 7.691 -1.135) 19.827 6.305 ( -0.119 -9.842 -3.767) 10.539 6.330 ( -1.856 -6.048 3.483) 7.222 7.140 ( -7.261 -0.612 -2.176) 7.605 ======================= Grid point 707 (237/288) ======================= q-point: ( 0.71 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 2.743 4.710 0.274) 5.457 2.067 ( 9.869 7.778 -1.830) 12.698 2.127 ( 6.805 1.142 -2.081) 7.207 2.321 ( 6.690 0.248 5.784) 8.847 2.671 ( 2.792 -5.573 5.653) 8.415 3.119 ( -5.622 1.052 -2.733) 6.339 3.625 ( -9.271 -13.782 -3.547) 16.984 4.951 ( 24.099 0.342 -1.418) 24.143 5.333 ( -12.583 10.456 0.529) 16.369 6.151 ( -3.529 -8.942 0.907) 9.656 6.268 ( -3.121 -1.861 -0.831) 3.728 7.013 ( -5.382 -1.291 -0.781) 5.590 ======================= Grid point 708 (238/288) ======================= q-point: ( 0.79 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.131 0.227 -0.000) 0.262 2.226 ( 2.145 3.714 0.000) 4.289 2.241 ( 2.223 3.851 -0.000) 4.447 2.381 ( -0.740 -1.282 -0.000) 1.480 2.676 ( -0.185 -0.321 -0.000) 0.371 3.018 ( -2.209 -3.826 -0.000) 4.418 3.431 ( -1.602 -2.774 -0.000) 3.203 5.268 ( 2.397 4.152 -0.000) 4.794 5.306 ( 4.407 7.633 0.000) 8.814 6.045 ( -1.472 -2.549 -0.000) 2.943 6.186 ( -2.289 -3.964 -0.000) 4.577 6.928 ( -1.703 -2.950 -0.000) 3.407 ======================= Grid point 720 (239/288) ======================= q-point: ( 0.57 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -0.000 8.493 -1.333) 8.597 1.495 ( -0.000 -6.887 -8.997) 11.331 1.637 ( -0.000 -2.373 -1.836) 3.001 2.028 ( 0.000 2.012 2.986) 3.601 2.711 ( 0.000 -5.260 5.325) 7.485 3.194 ( 0.000 8.199 1.728) 8.380 4.025 ( 0.000 -0.214 0.669) 0.702 4.113 ( -0.000 -24.438 -2.378) 24.554 6.072 ( -0.000 -2.984 -5.892) 6.605 6.131 ( -0.000 5.313 -0.207) 5.317 6.338 ( 0.000 -14.200 2.421) 14.405 7.301 ( -0.000 -0.329 -2.441) 2.463 ======================= Grid point 721 (240/288) ======================= q-point: ( 0.64 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 4.229 -0.472 0.213) 4.261 1.592 ( 11.374 2.353 -4.821) 12.575 1.739 ( 11.698 0.496 1.765) 11.840 2.076 ( 4.355 -2.530 5.490) 7.450 2.652 ( -0.610 -8.600 7.581) 11.481 3.255 ( -1.752 5.989 -1.765) 6.485 3.857 ( -3.299 -17.360 -5.047) 18.377 4.155 ( 15.275 -1.141 -0.938) 15.346 5.853 ( -14.854 2.425 -2.631) 15.279 6.210 ( -0.297 -7.957 -0.624) 7.987 6.279 ( 4.307 -0.554 0.651) 4.391 7.249 ( -5.180 0.550 -1.810) 5.514 ======================= Grid point 722 (241/288) ======================= q-point: ( 0.71 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 6.011 2.202 1.108) 6.497 1.834 ( 15.424 1.011 -6.079) 16.610 1.976 ( 11.495 0.953 1.381) 11.617 2.180 ( 9.223 -4.140 10.606) 14.653 2.585 ( 0.905 -9.550 8.950) 13.119 3.231 ( -4.910 2.701 -4.189) 6.996 3.636 ( -5.836 -6.558 -6.820) 11.117 4.502 ( 25.156 -0.640 -1.747) 25.225 5.631 ( -13.443 4.312 -1.032) 14.156 6.117 ( -1.608 -6.463 0.815) 6.710 6.309 ( -1.355 0.950 -0.296) 1.681 7.134 ( -7.912 0.751 -1.013) 8.012 ======================= Grid point 736 (242/288) ======================= q-point: ( 0.64 0.64 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 0.000 -6.326 4.634) 7.842 1.548 ( 0.000 5.112 1.168) 5.243 1.642 ( 0.000 1.791 3.738) 4.145 2.019 ( 0.000 -4.972 6.632) 8.289 2.580 ( 0.000 -11.388 9.431) 14.786 3.310 ( -0.000 3.384 -4.313) 5.482 3.736 ( -0.000 -7.730 -7.957) 11.094 4.000 ( -0.000 -1.558 -2.336) 2.807 6.003 ( -0.000 -0.149 -3.847) 3.850 6.145 ( 0.000 -6.920 1.160) 7.016 6.235 ( -0.000 4.398 -0.150) 4.401 7.298 ( -0.000 0.905 -1.310) 1.592 ======================= Grid point 738 (243/288) ======================= q-point: (-0.29 -0.36 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 9.116 -2.415 6.562) 11.488 1.675 ( 7.743 5.390 1.032) 9.491 1.785 ( 9.886 0.275 3.290) 10.423 2.030 ( 5.606 -5.267 11.310) 13.678 2.505 ( 0.424 -9.409 9.285) 13.225 3.289 ( -2.139 -0.327 -6.599) 6.945 3.661 ( -2.496 2.141 -8.840) 9.431 4.116 ( 15.956 -1.262 -2.941) 16.273 5.879 ( -11.550 2.463 -2.023) 11.982 6.085 ( -0.743 -4.360 0.678) 4.474 6.313 ( 2.718 2.293 -0.409) 3.579 7.258 ( -5.091 0.934 -0.876) 5.250 ======================= Grid point 753 (244/288) ======================= q-point: (-0.29 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.000 6.011 13.684) 14.946 1.625 ( 0.000 0.711 0.243) 0.751 1.740 ( 0.000 4.321 9.563) 10.494 1.966 ( 0.000 -3.772 10.315) 10.983 2.451 ( 0.000 -5.916 8.666) 10.493 3.262 ( -0.000 -3.682 -9.123) 9.838 3.710 ( -0.000 8.626 -8.393) 12.035 3.944 ( -0.000 -1.620 -4.422) 4.709 6.011 ( -0.000 0.717 -1.627) 1.778 6.078 ( -0.000 1.842 -0.245) 1.858 6.283 ( -0.000 0.216 -0.126) 0.250 7.308 ( -0.000 0.565 -0.865) 1.033 ======================= Grid point 860 (245/288) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 0.000 -0.000 12.677) 12.677 0.713 ( 0.000 -0.000 12.677) 12.677 1.281 ( 0.000 -0.000 29.502) 29.502 1.763 ( 0.000 -0.000 3.760) 3.760 1.763 ( 0.000 -0.000 3.760) 3.760 3.331 ( -0.000 0.000 -13.221) 13.221 3.818 ( -0.000 0.000 -2.304) 2.304 3.818 ( -0.000 0.000 -2.304) 2.304 6.389 ( 0.000 -0.000 0.048) 0.048 6.389 ( 0.000 -0.000 0.048) 0.048 7.591 ( 0.000 -0.000 3.134) 3.134 7.766 ( -0.000 0.000 -1.627) 1.627 ======================= Grid point 861 (246/288) ======================= q-point: ( 0.36 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -0.844 -0.487 13.343) 13.378 0.880 ( 4.942 2.853 14.614) 15.688 1.461 ( 7.006 4.045 10.561) 13.303 1.719 ( -2.377 -1.372 3.595) 4.523 1.936 ( 10.600 6.120 6.145) 13.696 3.050 ( -4.969 -2.869 -7.397) 9.361 3.873 ( 3.310 1.911 -2.521) 4.578 4.818 ( 48.399 27.943 -26.873) 62.012 6.128 ( -17.872 -10.319 0.221) 20.638 6.340 ( -4.168 -2.406 -0.050) 4.813 7.560 ( -3.734 -2.156 3.440) 5.516 7.822 ( 1.969 1.137 -0.945) 2.462 ======================= Grid point 862 (247/288) ======================= q-point: ( 0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 4.856 2.804 9.784) 11.277 1.045 ( 5.382 3.107 16.503) 17.635 1.602 ( 6.395 3.692 -9.983) 12.418 1.678 ( -2.003 -1.157 3.111) 3.877 2.280 ( 14.918 8.613 9.781) 19.809 2.994 ( 0.815 0.470 -6.213) 6.283 3.949 ( 3.712 2.143 -2.442) 4.933 5.394 ( 0.923 0.533 -10.292) 10.347 5.845 ( 2.820 1.628 -6.867) 7.599 6.215 ( -6.021 -3.476 -0.221) 6.956 7.451 ( -6.080 -3.510 2.790) 7.555 7.724 ( -10.950 -6.322 -0.674) 12.661 ======================= Grid point 863 (248/288) ======================= q-point: ( 0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 8.784 5.071 4.971) 11.295 1.219 ( 5.550 3.204 11.297) 12.988 1.651 ( -0.914 -0.527 1.723) 2.020 1.747 ( 9.328 5.385 -10.410) 14.980 2.597 ( 9.423 5.441 5.047) 11.995 3.027 ( 2.927 1.690 -2.504) 4.207 4.017 ( 2.432 1.404 -1.641) 3.252 5.090 ( -17.682 -10.209 0.082) 20.417 6.015 ( 6.629 3.827 -6.953) 10.341 6.093 ( -3.819 -2.205 -0.354) 4.424 7.304 ( -12.267 -7.082 -3.194) 14.520 7.354 ( -14.011 -8.089 3.489) 16.550 ======================= Grid point 864 (249/288) ======================= q-point: ( 0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 9.712 5.607 1.735) 11.348 1.357 ( 3.898 2.250 4.824) 6.597 1.647 ( 0.486 0.281 -0.978) 1.127 1.951 ( 9.510 5.491 -5.227) 12.162 2.735 ( 2.129 1.229 2.003) 3.171 3.099 ( 3.346 1.932 0.632) 3.916 4.040 ( -0.254 -0.147 -0.045) 0.297 4.649 ( -20.953 -12.097 -0.763) 24.206 6.058 ( -1.064 -0.614 -1.908) 2.269 6.059 ( 1.161 0.670 -0.349) 1.385 6.802 ( -21.571 -12.454 -3.469) 25.148 7.258 ( -1.848 -1.067 2.854) 3.563 ======================= Grid point 865 (250/288) ======================= q-point: ( 0.64 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 8.302 4.793 0.163) 9.588 1.418 ( 0.702 0.405 -0.875) 1.193 1.664 ( 1.644 0.949 -4.462) 4.849 2.102 ( 3.928 2.268 -4.861) 6.649 2.750 ( -0.640 -0.369 1.086) 1.314 3.181 ( 3.136 1.811 3.444) 4.997 4.013 ( -2.036 -1.176 1.904) 3.026 4.107 ( -24.563 -14.182 -1.819) 28.421 5.999 ( -2.919 -1.686 1.583) 3.724 6.131 ( 4.519 2.609 -0.163) 5.220 6.382 ( -13.377 -7.723 -2.337) 15.622 7.257 ( 0.682 0.394 2.070) 2.215 ======================= Grid point 866 (251/288) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -1.325 -0.765 -7.438) 7.594 1.558 ( 5.159 2.979 -0.673) 5.995 1.695 ( 2.595 1.498 -7.349) 7.936 2.089 ( -2.766 -1.597 -8.450) 9.034 2.662 ( -7.746 -4.472 -7.634) 11.759 3.258 ( 1.495 0.863 7.000) 7.210 3.667 ( -9.547 -5.512 6.393) 12.744 3.972 ( -2.065 -1.192 3.564) 4.288 5.972 ( 0.377 0.218 2.661) 2.696 6.154 ( -6.558 -3.786 -0.941) 7.630 6.234 ( 3.775 2.179 0.062) 4.359 7.286 ( 1.124 0.649 1.283) 1.825 ======================= Grid point 875 (252/288) ======================= q-point: ( 0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 0.000 6.522 13.895) 15.349 0.860 ( 0.000 3.825 5.649) 6.822 1.523 ( 0.000 7.574 13.150) 15.175 1.838 ( 0.000 2.286 1.958) 3.010 1.869 ( 0.000 8.784 5.453) 10.339 3.038 ( -0.000 -5.383 -7.306) 9.075 3.785 ( -0.000 0.325 -0.795) 0.859 4.819 ( -0.000 58.659 -24.491) 63.566 6.162 ( -0.000 -17.175 -1.569) 17.246 6.337 ( 0.000 -4.943 0.033) 4.943 7.567 ( 0.000 -4.851 3.756) 6.135 7.779 ( 0.000 -1.457 0.355) 1.500 ======================= Grid point 876 (253/288) ======================= q-point: ( 0.43 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -2.464 7.547 6.735) 10.411 1.049 ( 6.594 7.915 11.097) 15.142 1.576 ( -1.998 5.203 -4.281) 7.028 1.812 ( -5.635 6.274 2.359) 8.757 2.129 ( 13.574 7.898 8.994) 18.098 2.975 ( -0.543 0.180 -6.118) 6.145 3.884 ( 7.151 2.748 -0.645) 7.688 5.342 ( 10.609 26.641 -17.898) 33.803 5.822 ( -13.673 -17.620 -0.743) 22.315 6.301 ( -0.726 -0.192 -1.766) 1.919 7.490 ( -3.123 -7.004 3.420) 8.397 7.742 ( -1.677 -8.944 0.141) 9.101 ======================= Grid point 877 (254/288) ======================= q-point: ( 0.50 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 2.898 7.540 4.497) 9.245 1.264 ( 2.919 10.119 11.033) 15.253 1.622 ( 4.890 5.701 -8.637) 11.446 1.786 ( -5.782 8.038 1.627) 10.034 2.463 ( 13.057 5.063 4.144) 14.604 2.989 ( 2.231 2.081 -2.975) 4.261 4.037 ( 3.498 8.558 -0.903) 9.290 5.314 ( -19.777 -7.031 -1.563) 21.047 5.646 ( 13.044 -13.997 -4.420) 19.637 6.300 ( -3.849 8.484 -3.035) 9.799 7.361 ( -3.824 -7.301 2.913) 8.741 7.491 ( -12.992 -14.845 -2.083) 19.837 ======================= Grid point 878 (255/288) ======================= q-point: ( 0.57 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 6.865 7.686 2.401) 10.581 1.413 ( 0.103 9.342 7.135) 11.755 1.733 ( -3.046 7.785 2.157) 8.633 1.854 ( 7.025 9.411 -5.289) 12.880 2.674 ( 6.905 1.225 -0.134) 7.014 3.060 ( 3.330 2.332 -0.153) 4.068 4.146 ( -3.077 12.151 -0.648) 12.552 4.861 ( -19.579 -13.721 -0.382) 23.912 5.699 ( 13.258 -17.577 -1.145) 22.046 6.289 ( -6.320 7.383 -0.960) 9.766 7.029 ( -20.015 -14.743 -3.906) 25.164 7.255 ( -1.268 -6.096 2.880) 6.861 ======================= Grid point 879 (256/288) ======================= q-point: ( 0.64 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 7.447 7.168 0.477) 10.347 1.499 ( -3.027 8.676 5.567) 10.743 1.747 ( -4.526 9.712 -1.345) 10.800 2.062 ( 5.690 7.984 -3.424) 10.385 2.743 ( 1.510 -0.689 -0.012) 1.660 3.139 ( 3.695 1.344 1.049) 4.069 4.168 ( -8.120 12.422 0.511) 14.849 4.346 ( -21.684 -17.364 -1.613) 27.826 5.768 ( 12.966 -14.498 0.152) 19.450 6.235 ( -5.687 3.945 2.013) 7.208 6.562 ( -16.641 -9.129 -4.086) 19.416 7.218 ( 1.897 -4.487 2.449) 5.452 ======================= Grid point 880 (257/288) ======================= q-point: ( 0.71 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -2.349 4.373 -1.327) 5.139 1.557 ( 0.269 10.216 2.574) 10.539 1.768 ( -4.037 10.864 -4.371) 12.386 2.134 ( -3.017 4.223 -6.699) 8.474 2.709 ( -4.148 -3.117 -4.421) 6.817 3.227 ( 4.399 0.278 4.176) 6.072 3.821 ( -16.579 -13.216 2.526) 21.351 4.141 ( -9.321 12.329 1.978) 15.582 5.833 ( 8.797 -11.049 1.585) 14.212 6.193 ( -3.552 -2.200 2.425) 4.831 6.298 ( -5.701 1.271 -2.907) 6.524 7.232 ( 3.468 -3.858 1.646) 5.443 ======================= Grid point 890 (258/288) ======================= q-point: ( 0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.000 4.251 0.726) 4.313 1.130 ( 0.000 17.213 8.483) 19.189 1.666 ( -0.000 5.517 -9.533) 11.015 1.858 ( -0.000 -0.271 -3.111) 3.123 2.161 ( 0.000 13.289 13.508) 18.949 2.970 ( -0.000 0.939 -4.411) 4.510 3.828 ( 0.000 3.498 2.082) 4.071 5.401 ( -0.000 4.188 -9.174) 10.085 5.919 ( -0.000 4.889 -11.139) 12.165 6.211 ( 0.000 -6.954 -0.055) 6.954 7.439 ( 0.000 -10.838 4.510) 11.739 7.662 ( 0.000 -10.261 1.280) 10.341 ======================= Grid point 891 (259/288) ======================= q-point: ( 0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 0.159 6.501 0.627) 6.533 1.368 ( 3.071 16.161 6.302) 17.616 1.617 ( -1.784 4.785 -12.164) 13.193 1.909 ( 2.754 2.364 -3.356) 4.943 2.368 ( 4.998 10.416 8.821) 14.536 2.978 ( 0.743 2.268 -1.635) 2.893 3.985 ( 10.259 6.079 2.250) 12.135 5.322 ( 1.708 -19.731 -1.890) 19.895 5.680 ( -21.920 4.869 -6.246) 23.307 6.314 ( 7.726 2.624 -4.397) 9.269 7.309 ( -1.635 -15.066 5.479) 16.114 7.508 ( -5.773 -11.568 -2.246) 13.122 ======================= Grid point 892 (260/288) ======================= q-point: ( 0.57 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 3.827 8.231 0.698) 9.104 1.527 ( 0.545 9.671 1.752) 9.843 1.747 ( 8.100 11.824 -4.144) 14.920 1.949 ( -1.912 5.853 0.222) 6.161 2.562 ( 6.433 4.572 0.349) 7.900 3.036 ( 2.569 2.868 1.059) 3.993 4.253 ( 8.090 11.454 1.157) 14.070 5.020 ( -12.087 -21.356 -0.847) 24.554 5.413 ( -4.964 -5.823 -1.840) 7.869 6.394 ( -0.223 1.976 -2.207) 2.971 7.089 ( -6.749 -21.298 3.201) 22.570 7.265 ( -7.669 -5.368 -3.265) 9.914 ======================= Grid point 893 (261/288) ======================= q-point: ( 0.64 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 6.162 8.521 0.208) 10.518 1.650 ( 0.571 10.870 3.430) 11.413 1.939 ( -3.217 9.648 1.263) 10.248 2.034 ( 6.659 10.159 -1.226) 12.209 2.681 ( 4.517 0.969 -1.997) 5.033 3.105 ( 2.052 1.527 0.951) 2.729 4.412 ( -5.597 1.089 0.237) 5.707 4.563 ( -17.626 -3.338 -1.059) 17.971 5.376 ( 11.825 -13.480 -0.058) 17.932 6.352 ( -4.418 -0.280 1.106) 4.563 6.701 ( -13.568 -15.634 -2.905) 20.903 7.147 ( -0.425 -5.540 1.065) 5.658 ======================= Grid point 894 (262/288) ======================= q-point: ( 0.71 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 4.803 6.865 -0.569) 8.397 1.766 ( -3.415 13.592 5.872) 15.195 1.957 ( -5.066 10.397 -0.673) 11.585 2.206 ( 0.898 8.273 -4.386) 9.406 2.717 ( -0.448 -1.000 -2.904) 3.104 3.155 ( 3.746 -0.866 1.797) 4.245 3.965 ( -17.520 -19.252 0.274) 26.032 4.513 ( -12.472 20.521 1.052) 24.036 5.506 ( 15.358 -11.339 0.319) 19.093 6.263 ( -5.703 -2.982 4.502) 7.854 6.374 ( -7.256 -6.712 -5.189) 11.164 7.122 ( 3.165 -5.979 1.611) 6.954 ======================= Grid point 906 (263/288) ======================= q-point: ( 0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -0.000 7.283 -1.452) 7.427 1.521 ( 0.000 14.951 2.738) 15.199 1.665 ( -0.000 5.140 -15.835) 16.649 1.790 ( -0.000 -2.977 -6.753) 7.380 2.505 ( 0.000 12.280 10.410) 16.098 2.992 ( 0.000 2.114 0.412) 2.154 3.932 ( 0.000 4.358 3.599) 5.652 5.110 ( -0.000 -21.069 -1.079) 21.097 6.063 ( -0.000 8.783 -10.144) 13.418 6.089 ( 0.000 -4.375 -0.146) 4.378 7.158 ( 0.000 -21.105 6.380) 22.048 7.453 ( -0.000 -8.234 -2.853) 8.715 ======================= Grid point 907 (264/288) ======================= q-point: ( 0.57 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 1.494 8.953 -1.084) 9.142 1.566 ( 0.745 2.997 -7.997) 8.573 1.762 ( 4.305 12.636 -0.685) 13.366 1.874 ( 9.432 0.051 -7.416) 11.999 2.617 ( -1.965 8.550 5.364) 10.283 3.035 ( 1.537 3.056 2.631) 4.316 4.114 ( 13.685 4.338 2.603) 14.590 4.860 ( -2.725 -24.727 -0.294) 24.879 5.718 ( -22.467 2.709 -2.846) 22.808 6.313 ( 8.900 -0.572 -3.672) 9.644 6.938 ( -1.467 -23.490 5.323) 24.130 7.324 ( -5.582 -5.034 -3.993) 8.512 ======================= Grid point 908 (265/288) ======================= q-point: ( 0.64 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 3.920 9.442 -0.333) 10.229 1.675 ( 7.057 6.630 -1.892) 9.866 1.961 ( 8.028 3.908 -2.873) 9.380 2.029 ( 5.769 8.403 -0.422) 10.202 2.664 ( -0.559 4.357 1.421) 4.617 3.101 ( 1.168 2.540 1.738) 3.292 4.410 ( 3.944 -4.469 0.638) 5.994 4.558 ( 6.340 -16.592 -0.012) 17.762 5.381 ( -18.150 3.513 -1.091) 18.519 6.366 ( 1.128 -2.767 -1.880) 3.531 6.674 ( -5.000 -20.527 2.711) 21.301 7.164 ( -6.132 -2.840 -2.489) 7.202 ======================= Grid point 909 (266/288) ======================= q-point: ( 0.71 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 4.583 7.938 -0.000) 9.166 1.880 ( 5.985 10.366 -0.000) 11.969 2.075 ( 2.176 3.770 -0.000) 4.353 2.230 ( 5.145 8.911 -0.000) 10.289 2.702 ( 0.909 1.574 -0.000) 1.818 3.118 ( -0.347 -0.601 -0.000) 0.694 4.023 ( -13.564 -23.494 -0.000) 27.128 4.846 ( 7.799 13.509 -0.000) 15.599 5.199 ( -1.164 -2.017 -0.000) 2.329 6.321 ( -1.801 -3.120 0.000) 3.603 6.386 ( -8.007 -13.868 -0.000) 16.013 7.058 ( -2.054 -3.557 -0.000) 4.108 ======================= Grid point 922 (267/288) ======================= q-point: ( 0.57 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -0.000 9.601 -1.860) 9.780 1.535 ( -0.000 -1.096 -13.234) 13.279 1.684 ( -0.000 -3.130 -4.853) 5.775 1.887 ( 0.000 12.343 1.391) 12.421 2.725 ( 0.000 4.432 3.072) 5.393 3.070 ( 0.000 4.801 3.785) 6.113 4.017 ( 0.000 1.753 2.321) 2.909 4.639 ( 0.000 -25.701 0.228) 25.702 6.057 ( -0.000 1.389 -0.105) 1.393 6.095 ( -0.000 -0.050 -5.685) 5.685 6.727 ( 0.000 -23.115 4.311) 23.513 7.321 ( -0.000 -3.055 -3.563) 4.693 ======================= Grid point 923 (268/288) ======================= q-point: ( 0.64 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 1.889 9.245 -0.796) 9.469 1.558 ( 8.204 1.054 -6.719) 10.657 1.755 ( 10.986 -1.938 -3.349) 11.648 2.035 ( 4.248 8.034 2.498) 9.425 2.734 ( -1.891 1.029 1.875) 2.855 3.135 ( -0.082 5.166 1.778) 5.464 4.168 ( 15.106 0.064 0.532) 15.116 4.337 ( -4.222 -27.327 0.364) 27.654 5.776 ( -19.440 4.202 -1.650) 19.957 6.259 ( 6.891 -2.129 -3.094) 7.848 6.525 ( -0.236 -18.835 3.854) 19.226 7.243 ( -5.119 -1.079 -2.992) 6.026 ======================= Grid point 939 (269/288) ======================= q-point: (-0.36 -0.36 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -0.000 8.907 -0.915) 8.953 1.433 ( -0.000 -3.012 -4.189) 5.160 1.636 ( 0.000 -0.173 1.531) 1.541 2.061 ( 0.000 3.243 3.998) 5.148 2.746 ( 0.000 -2.552 2.092) 3.300 3.200 ( -0.000 5.802 -0.681) 5.841 4.025 ( -0.000 -1.259 -0.667) 1.424 4.099 ( 0.000 -26.865 -0.337) 26.867 6.025 ( -0.000 -2.890 -3.995) 4.930 6.130 ( -0.000 5.286 -0.025) 5.286 6.361 ( 0.000 -14.800 2.370) 14.988 7.278 ( -0.000 0.265 -2.428) 2.442 ======================= Grid point 1078 (270/288) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 0.000 -0.000 8.380) 8.380 0.811 ( 0.000 -0.000 8.380) 8.380 1.532 ( 0.000 -0.000 23.762) 23.762 1.797 ( 0.000 -0.000 3.347) 3.347 1.797 ( 0.000 -0.000 3.347) 3.347 3.207 ( -0.000 0.000 -12.907) 12.907 3.798 ( -0.000 0.000 -1.921) 1.921 3.798 ( -0.000 0.000 -1.921) 1.921 6.390 ( 0.000 -0.000 0.037) 0.037 6.390 ( 0.000 -0.000 0.037) 0.037 7.622 ( 0.000 -0.000 3.300) 3.300 7.748 ( -0.000 0.000 -2.095) 2.095 ======================= Grid point 1079 (271/288) ======================= q-point: ( 0.43 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -0.653 -0.377 9.605) 9.634 0.986 ( 8.228 4.751 7.861) 12.331 1.537 ( -3.196 -1.845 6.230) 7.241 1.757 ( -2.371 -1.369 4.335) 5.127 2.004 ( 12.819 7.401 7.380) 16.540 2.980 ( -4.722 -2.726 -7.181) 9.017 3.847 ( 3.171 1.831 -2.941) 4.696 4.625 ( 45.926 26.515 -14.868) 55.076 6.131 ( -17.790 -10.271 0.343) 20.545 6.339 ( -4.224 -2.438 -0.078) 4.878 7.591 ( -3.893 -2.248 2.940) 5.372 7.808 ( 2.301 1.329 -1.907) 3.271 ======================= Grid point 1080 (272/288) ======================= q-point: ( 0.50 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 3.541 2.044 7.937) 8.928 1.197 ( 6.311 3.644 14.996) 16.673 1.507 ( 2.940 1.698 -9.513) 10.101 1.715 ( -2.397 -1.384 4.843) 5.578 2.350 ( 13.867 8.006 4.410) 16.609 2.941 ( 1.868 1.078 -4.594) 5.075 3.921 ( 3.924 2.265 -3.382) 5.653 5.315 ( 9.367 5.408 -5.898) 12.320 5.808 ( -2.402 -1.387 -1.673) 3.239 6.213 ( -6.076 -3.508 -0.196) 7.019 7.473 ( -6.486 -3.745 1.829) 7.710 7.711 ( -10.807 -6.239 -1.988) 12.636 ======================= Grid point 1081 (273/288) ======================= q-point: ( 0.57 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 7.316 4.224 4.697) 9.666 1.343 ( 2.643 1.526 14.793) 15.105 1.657 ( 11.569 6.679 -8.728) 15.957 1.679 ( -1.960 -1.131 4.237) 4.803 2.619 ( 8.512 4.914 -0.595) 9.846 3.006 ( 3.986 2.301 -1.745) 4.922 3.996 ( 3.070 1.772 -2.813) 4.525 5.093 ( -17.411 -10.052 0.572) 20.112 5.977 ( 7.787 4.496 -1.212) 9.073 6.090 ( -3.846 -2.221 -0.221) 4.447 7.265 ( -16.701 -9.643 -4.870) 19.890 7.390 ( -9.770 -5.640 3.762) 11.892 ======================= Grid point 1082 (274/288) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 8.804 5.083 2.232) 10.408 1.426 ( 1.010 0.583 9.849) 9.918 1.652 ( -1.211 -0.699 1.959) 2.407 1.910 ( 10.479 6.050 -3.451) 12.583 2.742 ( 2.587 1.493 -0.587) 3.044 3.095 ( 4.203 2.427 -1.585) 5.105 4.034 ( 0.677 0.391 -1.276) 1.496 4.643 ( -21.785 -12.577 -0.604) 25.162 6.057 ( 1.180 0.681 -0.137) 1.370 6.059 ( -0.179 -0.103 1.993) 2.004 6.766 ( -20.934 -12.086 -4.067) 24.512 7.288 ( -2.292 -1.323 3.457) 4.354 ======================= Grid point 1094 (275/288) ======================= q-point: ( 0.43 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 0.000 2.193 2.129) 3.056 0.923 ( 0.000 7.316 10.847) 13.083 1.595 ( 0.000 -1.222 3.184) 3.411 1.845 ( -0.000 0.886 -0.439) 0.989 1.952 ( 0.000 11.079 10.794) 15.467 2.970 ( -0.000 -4.511 -6.823) 8.179 3.785 ( 0.000 1.213 0.693) 1.397 4.636 ( -0.000 54.878 -14.733) 56.822 6.150 ( -0.000 -18.689 -1.103) 18.722 6.337 ( 0.000 -4.966 0.063) 4.967 7.598 ( 0.000 -4.742 2.815) 5.514 7.779 ( -0.000 0.311 -0.222) 0.382 ======================= Grid point 1095 (276/288) ======================= q-point: ( 0.50 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -1.055 4.308 3.874) 5.889 1.144 ( 8.309 8.250 8.738) 14.610 1.520 ( -4.378 0.530 -6.416) 7.786 1.837 ( -3.361 4.303 2.448) 5.983 2.202 ( 10.968 8.606 6.006) 15.180 2.924 ( -0.039 1.294 -4.290) 4.481 3.880 ( 5.623 4.278 -0.252) 7.070 5.213 ( 13.642 28.823 -9.465) 33.263 5.816 ( -12.319 -18.609 -0.387) 22.321 6.290 ( -1.067 -1.491 -0.729) 1.973 7.516 ( -3.473 -6.606 2.076) 7.747 7.740 ( -2.892 -8.240 -0.414) 8.743 ======================= Grid point 1096 (277/288) ======================= q-point: ( 0.57 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 3.418 5.512 3.018) 7.153 1.375 ( 3.568 5.983 12.653) 14.444 1.530 ( 6.948 7.409 -10.295) 14.462 1.823 ( -5.960 6.797 5.118) 10.388 2.476 ( 11.199 4.404 -1.362) 12.110 2.968 ( 2.860 3.291 -1.239) 4.533 4.025 ( 2.527 10.016 -1.689) 10.467 5.305 ( -17.967 -6.336 -0.389) 19.055 5.622 ( 13.820 -14.025 -0.611) 19.699 6.283 ( -3.312 7.676 -0.694) 8.389 7.375 ( -6.128 -6.189 -0.298) 8.715 7.477 ( -11.733 -15.653 -0.321) 19.565 ======================= Grid point 1097 (278/288) ======================= q-point: ( 0.64 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 6.777 6.538 1.806) 9.588 1.487 ( 0.555 5.734 8.511) 10.277 1.756 ( 2.212 8.141 1.641) 8.594 1.829 ( 1.663 10.041 1.017) 10.229 2.658 ( 7.503 1.076 -3.210) 8.231 3.053 ( 3.059 3.123 -1.299) 4.561 4.135 ( -3.079 13.167 -1.778) 13.639 4.859 ( -19.760 -14.360 -0.067) 24.427 5.699 ( 13.590 -17.574 1.092) 22.242 6.290 ( -5.530 7.652 1.266) 9.526 6.987 ( -20.077 -13.855 -5.006) 24.903 7.287 ( -1.290 -7.097 3.837) 8.170 ======================= Grid point 1110 (279/288) ======================= q-point: ( 0.50 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -0.000 3.659 -1.930) 4.137 1.218 ( 0.000 14.816 9.742) 17.732 1.560 ( -0.000 0.791 -12.319) 12.344 1.818 ( -0.000 -1.741 -5.181) 5.466 2.280 ( 0.000 13.590 11.044) 17.512 2.933 ( -0.000 2.550 -3.302) 4.171 3.854 ( 0.000 4.145 3.314) 5.307 5.325 ( -0.000 12.028 -6.403) 13.627 5.843 ( -0.000 -1.602 -5.600) 5.825 6.211 ( 0.000 -7.017 0.039) 7.017 7.472 ( 0.000 -9.432 2.405) 9.734 7.674 ( 0.000 -11.292 1.457) 11.385 ======================= Grid point 1111 (280/288) ======================= q-point: ( 0.57 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 1.384 5.794 -1.161) 6.069 1.439 ( 3.246 12.883 8.862) 15.970 1.497 ( 0.235 4.925 -13.216) 14.106 1.871 ( 6.418 -0.383 -4.842) 8.048 2.440 ( 0.770 10.707 6.171) 12.382 2.967 ( 1.243 3.928 -0.708) 4.180 4.006 ( 9.057 6.761 2.239) 11.522 5.308 ( 2.675 -18.461 -0.997) 18.680 5.635 ( -20.228 5.259 -3.200) 21.144 6.287 ( 7.876 1.512 -1.638) 8.186 7.354 ( -1.694 -12.527 3.945) 13.243 7.487 ( -7.158 -14.195 -2.022) 16.026 ======================= Grid point 1112 (281/288) ======================= q-point: ( 0.64 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 4.401 7.622 -0.000) 8.801 1.536 ( 3.526 6.108 -0.000) 7.053 1.726 ( 8.173 14.156 -0.000) 16.346 1.951 ( 1.813 3.140 -0.000) 3.625 2.563 ( 3.227 5.590 -0.000) 6.454 3.041 ( 2.230 3.863 -0.000) 4.461 4.259 ( 7.042 12.198 -0.000) 14.085 5.016 ( -12.340 -21.373 -0.000) 24.679 5.404 ( -3.563 -6.171 -0.000) 7.125 6.383 ( 0.947 1.639 -0.000) 1.893 7.105 ( -11.731 -20.318 -0.000) 23.462 7.248 ( -3.632 -6.290 0.000) 7.264 ======================= Grid point 1126 (282/288) ======================= q-point: ( 0.57 0.57 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -0.000 7.543 -3.219) 8.201 1.485 ( -0.000 0.989 -14.164) 14.198 1.592 ( 0.000 16.563 4.067) 17.055 1.728 ( -0.000 -3.001 -6.197) 6.885 2.586 ( 0.000 10.406 6.422) 12.228 2.996 ( 0.000 4.094 0.531) 4.128 3.966 ( 0.000 4.107 3.538) 5.421 5.101 ( 0.000 -20.366 -0.922) 20.387 5.993 ( -0.000 9.399 -4.753) 10.532 6.089 ( 0.000 -4.430 0.040) 4.430 7.215 ( 0.000 -20.747 5.768) 21.534 7.423 ( -0.000 -9.457 -3.434) 10.061 ======================= Grid point 1300 (283/288) ======================= q-point: ( 0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.000 -0.000 4.126) 4.126 0.870 ( 0.000 -0.000 4.126) 4.126 1.713 ( 0.000 -0.000 14.092) 14.092 1.823 ( 0.000 -0.000 1.991) 1.991 1.823 ( 0.000 -0.000 1.991) 1.991 3.103 ( -0.000 0.000 -8.667) 8.667 3.784 ( -0.000 0.000 -1.097) 1.097 3.784 ( -0.000 0.000 -1.097) 1.097 6.390 ( 0.000 -0.000 0.020) 0.020 6.390 ( 0.000 -0.000 0.020) 0.020 7.651 ( 0.000 -0.000 2.852) 2.852 7.728 ( -0.000 0.000 -2.184) 2.184 ======================= Grid point 1301 (284/288) ======================= q-point: ( 0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -0.013 -0.008 5.480) 5.480 1.026 ( 9.749 5.629 0.694) 11.279 1.582 ( -7.876 -4.547 3.428) 9.719 1.797 ( -1.776 -1.025 4.118) 4.600 2.054 ( 12.657 7.308 2.444) 14.819 2.927 ( -4.054 -2.340 -3.490) 5.839 3.820 ( 2.691 1.553 -2.787) 4.174 4.536 ( 44.616 25.759 -4.253) 51.694 6.135 ( -17.515 -10.113 0.538) 20.232 6.339 ( -4.270 -2.465 -0.089) 4.931 7.612 ( -4.144 -2.393 1.525) 5.022 7.790 ( 2.184 1.261 -1.697) 3.039 ======================= Grid point 1302 (285/288) ======================= q-point: ( 0.57 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 3.082 1.779 4.968) 6.111 1.282 ( 12.286 7.093 -0.347) 14.191 1.466 ( -2.327 -1.344 4.286) 5.059 1.766 ( -2.266 -1.308 5.744) 6.312 2.353 ( 12.514 7.225 -3.960) 14.982 2.917 ( 2.546 1.470 -0.313) 2.957 3.888 ( 3.896 2.249 -3.736) 5.848 5.290 ( 12.370 7.142 0.648) 14.298 5.809 ( -3.672 -2.120 1.828) 4.617 6.212 ( -6.096 -3.520 -0.129) 7.041 7.483 ( -7.147 -4.126 0.023) 8.253 7.691 ( -10.456 -6.037 -2.089) 12.253 ======================= Grid point 1316 (286/288) ======================= q-point: ( 0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -0.000 0.963 -1.530) 1.808 1.002 ( 0.000 9.852 5.716) 11.390 1.602 ( -0.000 -7.504 -0.970) 7.566 1.830 ( -0.000 -0.728 -2.715) 2.811 2.037 ( 0.000 12.922 6.109) 14.293 2.923 ( -0.000 -4.137 -2.702) 4.941 3.797 ( 0.000 2.229 1.997) 2.993 4.542 ( -0.000 52.169 -5.429) 52.451 6.141 ( 0.000 -19.636 -0.789) 19.652 6.338 ( 0.000 -4.962 0.083) 4.963 7.616 ( 0.000 -4.875 0.796) 4.940 7.779 ( 0.000 1.743 0.544) 1.826 ======================= Grid point 1317 (287/288) ======================= q-point: ( 0.57 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 1.286 2.228 -0.000) 2.573 1.191 ( 6.638 11.498 -0.000) 13.277 1.483 ( -2.566 -4.445 -0.000) 5.132 1.850 ( 0.992 1.719 0.000) 1.985 2.232 ( 6.183 10.709 -0.000) 12.366 2.903 ( 0.828 1.434 -0.000) 1.655 3.879 ( 3.362 5.822 -0.000) 6.723 5.169 ( 16.391 28.390 -0.000) 32.782 5.814 ( -11.168 -19.343 -0.000) 22.336 6.287 ( -1.103 -1.911 -0.000) 2.207 7.526 ( -3.699 -6.407 -0.000) 7.398 7.737 ( -4.291 -7.433 0.000) 8.583 ======================= Grid point 1527 (288/288) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.10e-04 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 0.000 -0.000 0.000) 0.000 0.889 ( 0.000 -0.000 0.000) 0.000 1.781 ( 0.000 -0.000 0.000) 0.000 1.832 ( -0.000 0.000 -0.000) 0.000 1.832 ( -0.000 0.000 -0.000) 0.000 3.060 ( 0.000 -0.000 0.000) 0.000 3.778 ( 0.000 -0.000 0.000) 0.000 3.778 ( 0.000 -0.000 0.000) 0.000 6.390 ( 0.000 -0.000 0.000) 0.000 6.390 ( 0.000 -0.000 0.000) 0.000 7.668 ( 0.000 -0.000 0.000) 0.000 7.715 ( -0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32928 10.0 356.746 356.746 633.486 -0.000 0.000 0.000 3/32928 20.0 79.842 79.842 75.735 -0.000 0.000 0.000 3/32928 30.0 38.869 38.869 32.023 -0.000 0.000 -0.000 3/32928 40.0 23.886 23.886 19.160 -0.000 0.000 -0.000 3/32928 50.0 16.502 16.502 13.266 -0.000 0.000 -0.000 3/32928 60.0 12.353 12.353 10.007 -0.000 0.000 -0.000 3/32928 70.0 9.795 9.795 7.992 -0.000 0.000 -0.000 3/32928 80.0 8.097 8.097 6.644 -0.000 0.000 -0.000 3/32928 90.0 6.902 6.902 5.686 -0.000 0.000 -0.000 3/32928 100.0 6.019 6.019 4.972 -0.000 0.000 -0.000 3/32928 110.0 5.341 5.341 4.421 -0.000 0.000 -0.000 3/32928 120.0 4.805 4.805 3.983 -0.000 0.000 -0.000 3/32928 130.0 4.370 4.370 3.627 -0.000 0.000 -0.000 3/32928 140.0 4.010 4.010 3.330 -0.000 0.000 -0.000 3/32928 150.0 3.707 3.707 3.080 -0.000 0.000 -0.000 3/32928 160.0 3.448 3.448 2.866 -0.000 0.000 -0.000 3/32928 170.0 3.224 3.224 2.681 -0.000 0.000 -0.000 3/32928 180.0 3.028 3.028 2.519 -0.000 0.000 -0.000 3/32928 190.0 2.855 2.855 2.375 -0.000 0.000 -0.000 3/32928 200.0 2.702 2.702 2.248 -0.000 0.000 -0.000 3/32928 210.0 2.564 2.564 2.134 -0.000 0.000 -0.000 3/32928 220.0 2.440 2.440 2.031 -0.000 0.000 -0.000 3/32928 230.0 2.328 2.328 1.938 -0.000 0.000 -0.000 3/32928 240.0 2.226 2.226 1.853 -0.000 0.000 -0.000 3/32928 250.0 2.133 2.133 1.775 -0.000 0.000 -0.000 3/32928 260.0 2.047 2.047 1.704 -0.000 0.000 -0.000 3/32928 270.0 1.968 1.968 1.638 -0.000 0.000 -0.000 3/32928 280.0 1.895 1.895 1.578 -0.000 0.000 -0.000 3/32928 290.0 1.828 1.828 1.521 -0.000 0.000 -0.000 3/32928 300.0 1.765 1.765 1.469 -0.000 0.000 -0.000 3/32928 310.0 1.706 1.706 1.420 -0.000 0.000 -0.000 3/32928 320.0 1.651 1.651 1.375 -0.000 0.000 -0.000 3/32928 330.0 1.600 1.600 1.332 -0.000 0.000 -0.000 3/32928 340.0 1.551 1.551 1.292 -0.000 0.000 -0.000 3/32928 350.0 1.506 1.506 1.254 -0.000 0.000 -0.000 3/32928 360.0 1.463 1.463 1.218 -0.000 0.000 -0.000 3/32928 370.0 1.423 1.423 1.185 -0.000 0.000 -0.000 3/32928 380.0 1.385 1.385 1.153 -0.000 0.000 -0.000 3/32928 390.0 1.349 1.349 1.123 -0.000 0.000 -0.000 3/32928 400.0 1.314 1.314 1.094 -0.000 0.000 -0.000 3/32928 410.0 1.282 1.282 1.067 -0.000 0.000 -0.000 3/32928 420.0 1.251 1.251 1.041 -0.000 0.000 -0.000 3/32928 430.0 1.221 1.221 1.017 -0.000 0.000 -0.000 3/32928 440.0 1.193 1.193 0.993 -0.000 0.000 -0.000 3/32928 450.0 1.166 1.166 0.971 -0.000 0.000 -0.000 3/32928 460.0 1.140 1.140 0.949 -0.000 0.000 -0.000 3/32928 470.0 1.116 1.116 0.929 -0.000 0.000 -0.000 3/32928 480.0 1.092 1.092 0.909 -0.000 0.000 -0.000 3/32928 490.0 1.070 1.070 0.891 -0.000 0.000 -0.000 3/32928 500.0 1.048 1.048 0.873 -0.000 0.000 -0.000 3/32928 510.0 1.027 1.027 0.855 -0.000 0.000 -0.000 3/32928 520.0 1.007 1.007 0.839 -0.000 0.000 -0.000 3/32928 530.0 0.988 0.988 0.823 -0.000 0.000 -0.000 3/32928 540.0 0.970 0.970 0.807 -0.000 0.000 -0.000 3/32928 550.0 0.952 0.952 0.793 -0.000 0.000 -0.000 3/32928 560.0 0.935 0.935 0.778 -0.000 0.000 -0.000 3/32928 570.0 0.918 0.918 0.764 -0.000 0.000 -0.000 3/32928 580.0 0.902 0.902 0.751 -0.000 0.000 -0.000 3/32928 590.0 0.887 0.887 0.738 -0.000 0.000 -0.000 3/32928 600.0 0.872 0.872 0.726 -0.000 0.000 -0.000 3/32928 610.0 0.857 0.857 0.714 -0.000 0.000 -0.000 3/32928 620.0 0.844 0.844 0.702 -0.000 0.000 -0.000 3/32928 630.0 0.830 0.830 0.691 -0.000 0.000 -0.000 3/32928 640.0 0.817 0.817 0.680 -0.000 0.000 -0.000 3/32928 650.0 0.804 0.804 0.670 -0.000 0.000 -0.000 3/32928 660.0 0.792 0.792 0.660 -0.000 0.000 -0.000 3/32928 670.0 0.780 0.780 0.650 -0.000 0.000 -0.000 3/32928 680.0 0.769 0.769 0.640 -0.000 0.000 -0.000 3/32928 690.0 0.757 0.757 0.631 -0.000 0.000 -0.000 3/32928 700.0 0.747 0.747 0.622 -0.000 0.000 -0.000 3/32928 710.0 0.736 0.736 0.613 -0.000 0.000 -0.000 3/32928 720.0 0.726 0.726 0.604 -0.000 0.000 -0.000 3/32928 730.0 0.716 0.716 0.596 -0.000 0.000 -0.000 3/32928 740.0 0.706 0.706 0.588 -0.000 0.000 -0.000 3/32928 750.0 0.697 0.697 0.580 -0.000 0.000 -0.000 3/32928 760.0 0.687 0.687 0.572 -0.000 0.000 -0.000 3/32928 770.0 0.678 0.678 0.565 -0.000 0.000 -0.000 3/32928 780.0 0.670 0.670 0.558 -0.000 0.000 -0.000 3/32928 790.0 0.661 0.661 0.550 -0.000 0.000 -0.000 3/32928 800.0 0.653 0.653 0.544 -0.000 0.000 -0.000 3/32928 810.0 0.645 0.645 0.537 -0.000 0.000 -0.000 3/32928 820.0 0.637 0.637 0.530 -0.000 0.000 -0.000 3/32928 830.0 0.629 0.629 0.524 -0.000 0.000 -0.000 3/32928 840.0 0.622 0.622 0.518 -0.000 0.000 -0.000 3/32928 850.0 0.614 0.614 0.511 -0.000 0.000 -0.000 3/32928 860.0 0.607 0.607 0.506 -0.000 0.000 -0.000 3/32928 870.0 0.600 0.600 0.500 -0.000 0.000 -0.000 3/32928 880.0 0.593 0.593 0.494 -0.000 0.000 -0.000 3/32928 890.0 0.587 0.587 0.488 -0.000 0.000 -0.000 3/32928 900.0 0.580 0.580 0.483 -0.000 0.000 -0.000 3/32928 910.0 0.574 0.574 0.478 -0.000 0.000 -0.000 3/32928 920.0 0.567 0.567 0.472 -0.000 0.000 -0.000 3/32928 930.0 0.561 0.561 0.467 -0.000 0.000 -0.000 3/32928 940.0 0.555 0.555 0.462 -0.000 0.000 -0.000 3/32928 950.0 0.549 0.549 0.457 -0.000 0.000 -0.000 3/32928 960.0 0.544 0.544 0.453 -0.000 0.000 -0.000 3/32928 970.0 0.538 0.538 0.448 -0.000 0.000 -0.000 3/32928 980.0 0.533 0.533 0.443 -0.000 0.000 -0.000 3/32928 990.0 0.527 0.527 0.439 -0.000 0.000 -0.000 3/32928 1000.0 0.522 0.522 0.435 -0.000 0.000 -0.000 3/32928 Thermal conductivity related properties were written into "kappa-m141414.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:33:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|